#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 4.06 -0.06 1.04 2.96 -1.23 -5.16 118.68 120.28 1xm3 s LEU 4 Ca 0.00 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1xm3 s LEU 4 Cb 0.00 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1xm3 s LEU 4 CO 0.00 -0.00 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.06 1xm3 s THR 5 N 1.46 0.83 -0.06 3.68 2.01 -1.26 -0.79 115.64 121.52 1xm3 s THR 5 Ca 0.07 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 1xm3 s THR 5 Cb -0.15 -0.82 0.03 0.00 0.01 0.00 0.00 72.50 71.57 1xm3 s THR 5 CO 0.08 0.30 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.67 1xm3 s ILE 6 N 0.99 0.42 -1.57 1.82 1.01 -0.02 -4.70 121.20 119.16 1xm3 s ILE 6 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1xm3 s ILE 6 Cb -0.15 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.80 1xm3 s ILE 6 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1xm3 n GLY 7 N 4.68 -0.30 2.30 6.18 0.00 -1.26 -1.83 105.19 114.97 1xm3 n GLY 7 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.01 2.25 3.81 -0.02 0.00 -1.26 -5.02 105.19 103.94 1xm3 n GLY 8 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.23 4.00 0.10 1.61 2.47 -0.76 -5.08 119.74 121.84 1xm3 s LYS 9 Ca 0.00 0.33 0.01 0.00 -1.56 0.00 0.00 55.97 54.75 1xm3 s LYS 9 Cb 0.00 -3.28 -0.04 0.00 -1.46 0.00 0.00 37.83 33.05 1xm3 s LYS 9 CO 0.00 0.55 0.24 -1.12 0.16 0.00 0.00 175.35 175.19 1xm3 s SER 10 N -0.59 6.36 -0.02 1.43 0.01 -1.26 -0.84 113.70 118.79 1xm3 s SER 10 Ca 0.22 0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.73 1xm3 s SER 10 Cb -0.16 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.15 1xm3 s SER 10 CO 0.11 0.12 -0.01 -0.36 0.41 0.00 0.00 173.24 173.51 1xm3 s PHE 11 N -1.61 0.25 0.18 2.43 0.08 0.03 -4.99 117.98 114.36 1xm3 s PHE 11 Ca 0.35 -0.00 -0.05 0.00 0.12 0.00 0.00 56.93 57.35 1xm3 s PHE 11 Cb -0.12 -0.30 0.08 0.00 -0.57 0.00 0.00 43.02 42.11 1xm3 s PHE 11 CO 0.28 -0.08 1.50 1.96 -0.10 0.00 0.00 175.22 178.78 1xm3 h GLN 12 N 6.85 0.63 -5.62 0.44 1.08 -1.95 -3.27 115.11 113.26 1xm3 h GLN 12 Ca -0.37 -0.38 -0.64 0.00 -1.45 0.00 0.00 58.65 55.81 1xm3 h GLN 12 Cb 1.16 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.54 1xm3 h GLN 12 CO 0.49 1.00 -0.41 0.45 -0.95 0.00 0.00 178.83 179.41 1xm3 s SER 13 N -6.91 6.44 0.00 1.46 0.15 -1.26 -4.91 113.70 108.67 1xm3 s SER 13 Ca -0.08 0.52 0.19 0.00 0.70 0.00 0.00 55.95 57.28 1xm3 s SER 13 Cb 0.11 -2.12 0.53 0.00 -1.71 0.00 0.00 66.02 62.83 1xm3 s SER 13 CO 0.85 0.31 1.44 0.54 1.20 0.00 0.00 173.24 177.58 1xm3 n ARG 14 N 2.44 2.36 -3.70 5.44 1.74 -1.26 -4.66 116.66 119.02 1xm3 n ARG 14 Ca -0.17 -2.10 -0.37 0.00 -0.77 0.00 0.00 57.85 54.43 1xm3 n ARG 14 Cb 0.54 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 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 -1.09 3.70 -0.15 0.55 2.96 -1.26 -1.68 118.68 121.71 1xm3 s LEU 15 Ca 0.39 -0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1xm3 s LEU 15 Cb 0.21 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1xm3 s LEU 15 CO 0.28 -0.08 0.12 -0.76 -1.32 0.00 0.00 176.35 174.59 1xm3 s LEU 16 N 1.63 4.23 -0.05 -0.68 1.02 0.29 -4.14 118.68 120.98 1xm3 s LEU 16 Ca 0.06 0.33 0.05 0.00 0.02 0.00 0.00 54.13 54.59 1xm3 s LEU 16 Cb -0.16 -2.05 -0.00 0.00 0.02 0.00 0.00 46.19 44.00 1xm3 s LEU 16 CO 0.05 0.31 -0.19 -0.22 0.02 0.00 0.00 176.35 176.32 1xm3 s LEU 17 N -0.42 1.95 0.51 1.79 2.96 -0.83 -1.34 118.68 123.30 1xm3 s LEU 17 Ca 0.11 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1xm3 s LEU 17 Cb -0.12 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 1xm3 s LEU 17 CO 0.01 0.17 0.87 -0.83 -1.32 0.00 0.00 176.35 175.26 1xm3 s GLY 18 N 0.01 1.67 0.12 7.98 0.00 0.08 -1.16 107.32 116.02 1xm3 s GLY 18 Ca -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.42 1xm3 s GLY 18 CO 0.03 -0.06 -0.05 -0.51 0.00 0.00 0.00 173.10 172.50 1xm3 s THR 19 N -2.80 0.71 0.00 0.90 -4.23 -0.42 -4.85 115.64 104.94 1xm3 s THR 19 Ca 0.51 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1xm3 s THR 19 Cb -0.10 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1xm3 s THR 19 CO 0.44 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1xm3 n GLY 20 N -0.09 0.46 0.07 3.99 0.00 -1.26 -4.61 105.19 103.76 1xm3 n GLY 20 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.45 1.34 -2.27 1.61 5.02 -1.26 -4.99 118.16 116.16 1xm3 n LYS 21 Ca 0.00 -2.50 -0.30 0.00 -2.02 0.00 0.00 58.31 53.48 1xm3 n LYS 21 Cb 0.00 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 1xm3 n LYS 21 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xm3 s TYR 22 N -2.75 3.56 0.54 2.13 2.02 -1.26 -4.70 117.35 116.89 1xm3 s TYR 22 Ca 0.30 1.20 0.21 0.00 -0.37 0.00 0.00 57.07 58.41 1xm3 s TYR 22 Cb 0.26 -2.61 1.43 0.00 -0.40 0.00 0.00 41.96 40.64 1xm3 s TYR 22 CO 0.03 -0.46 2.15 -1.35 -1.57 0.00 0.00 175.55 174.35 1xm3 h PRO 23 N 0.27 0.00 -2.37 -1.71 0.11 -1.97 -3.45 132.00 122.87 1xm3 h PRO 23 Ca -0.46 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1xm3 h PRO 23 Cb 1.19 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.15 1xm3 h PRO 23 CO 0.62 0.00 0.39 -1.54 -0.21 0.00 0.00 178.00 177.26 1xm3 s SER 24 N -6.67 -0.45 0.50 -2.05 1.04 -1.26 -5.03 113.70 99.78 1xm3 s SER 24 Ca -0.05 0.11 0.23 0.00 0.48 0.00 0.00 55.95 56.73 1xm3 s SER 24 Cb 0.17 0.45 1.32 0.00 0.10 0.00 0.00 66.02 68.06 1xm3 s SER 24 CO 0.64 -0.69 2.05 -0.26 0.98 0.00 0.00 173.24 175.97 1xm3 h PHE 25 N 2.16 0.00 -0.16 5.02 0.04 -1.93 -0.27 116.94 121.79 1xm3 h PHE 25 Ca -0.25 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.45 1xm3 h PHE 25 Cb 1.24 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.39 1xm3 h PHE 25 CO 0.26 0.14 -0.17 -0.44 -0.60 0.00 0.00 178.31 177.51 1xm3 h ASP 26 N 0.00 0.43 -0.64 2.17 3.32 -1.95 -1.12 116.42 118.63 1xm3 h ASP 26 Ca -0.00 -0.48 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1xm3 h ASP 26 Cb 0.32 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1xm3 h ASP 26 CO 0.02 0.82 0.14 0.40 -1.72 0.00 0.00 179.24 178.90 1xm3 h ILE 27 N 0.04 1.26 -0.48 0.35 2.04 -1.84 -2.46 117.51 116.42 1xm3 h ILE 27 Ca 0.02 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1xm3 h ILE 27 Cb 0.71 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1xm3 h ILE 27 CO 0.04 0.36 0.31 -0.61 0.00 0.00 0.00 178.15 178.26 1xm3 h GLN 28 N 0.95 0.63 -0.17 2.37 4.15 -0.98 -0.29 115.11 121.77 1xm3 h GLN 28 Ca 0.20 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 1xm3 h GLN 28 Cb 0.39 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1xm3 h GLN 28 CO 0.01 0.42 0.11 -0.22 -1.93 0.00 0.00 178.83 177.21 1xm3 h LYS 29 N 0.65 0.23 -0.20 1.69 3.64 -1.00 -0.17 116.57 121.41 1xm3 h LYS 29 Ca 0.17 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1xm3 h LYS 29 Cb -0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1xm3 h LYS 29 CO -0.04 0.19 -0.32 1.49 -2.27 0.00 0.00 179.45 178.51 1xm3 h GLU 30 N 0.21 0.39 -0.05 1.90 4.81 -1.30 -1.06 114.58 119.48 1xm3 h GLU 30 Ca 0.06 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1xm3 h GLU 30 Cb 0.01 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xm3 h GLU 30 CO -0.01 0.67 0.01 0.00 -0.73 0.00 0.00 179.01 178.95 1xm3 h ALA 31 N 1.33 0.07 -0.84 2.92 0.00 -0.78 -0.21 119.26 121.75 1xm3 h ALA 31 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xm3 h ALA 31 Cb 0.73 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1xm3 h ALA 31 CO 0.06 -0.29 0.55 0.28 0.00 0.00 0.00 179.25 179.84 1xm3 h VAL 32 N -0.16 1.17 0.59 0.00 2.07 -0.91 -1.49 116.25 117.52 1xm3 h VAL 32 Ca 0.02 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1xm3 h VAL 32 Cb 0.27 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1xm3 h VAL 32 CO 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 177.57 177.50 1xm3 h ALA 33 N 1.33 -0.80 0.00 1.67 0.00 -0.97 -2.98 119.26 117.51 1xm3 h ALA 33 Ca 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xm3 h ALA 33 Cb -0.06 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xm3 h ALA 33 CO -0.09 -0.92 -0.08 -0.39 0.00 0.00 0.00 179.25 177.77 1xm3 h VAL 34 N -0.86 0.41 0.00 0.00 -1.51 -0.89 -2.14 116.25 111.26 1xm3 h VAL 34 Ca -0.08 -0.43 -0.05 0.00 -1.23 0.00 0.00 66.70 64.91 1xm3 h VAL 34 Cb 0.63 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1xm3 h VAL 34 CO 0.13 0.08 -0.25 0.77 -1.23 0.00 0.00 177.57 177.07 1xm3 h SER 35 N 0.00 0.00 -0.49 4.19 4.64 -1.12 -3.42 113.55 117.34 1xm3 h SER 35 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1xm3 h SER 35 Cb 0.29 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.30 1xm3 h SER 35 CO 0.01 0.25 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.41 1xm3 n GLU 36 N -3.51 -1.22 -1.99 4.77 1.02 -0.81 -4.69 120.64 114.22 1xm3 n GLU 36 Ca -0.00 0.82 -0.36 0.00 -0.02 0.00 0.00 57.16 57.60 1xm3 n GLU 36 Cb 0.41 -4.96 0.04 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 -2.56 5.15 -0.01 1.62 0.15 -1.26 -4.58 113.70 112.21 1xm3 s SER 37 Ca 0.00 2.40 0.11 0.00 0.70 0.00 0.00 55.95 59.16 1xm3 s SER 37 Cb 0.00 -2.60 -0.16 0.00 -1.71 0.00 0.00 66.02 61.55 1xm3 s SER 37 CO 0.00 -1.62 0.28 0.47 1.20 0.00 0.00 173.24 173.56 1xm3 n ASP 38 N -1.62 2.15 -4.17 5.45 8.00 -1.26 -4.96 116.55 120.14 1xm3 n ASP 38 Ca 0.14 -0.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 1xm3 n ASP 38 Cb 0.50 1.40 -0.16 0.00 -0.02 0.00 0.00 41.12 42.83 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 -2.60 2.17 -0.07 0.53 1.01 -1.26 -0.58 121.20 120.40 1xm3 s ILE 39 Ca -0.02 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1xm3 s ILE 39 Cb 0.07 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1xm3 s ILE 39 CO 0.44 0.54 -0.16 -0.76 0.00 0.00 0.00 174.94 175.00 1xm3 s LEU 40 N 0.99 2.60 0.20 2.97 1.43 -0.93 -1.96 118.68 123.98 1xm3 s LEU 40 Ca -0.03 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 1xm3 s LEU 40 Cb -0.15 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1xm3 s LEU 40 CO -0.05 0.28 -0.07 0.28 0.23 0.00 0.00 176.35 177.02 1xm3 s THR 41 N -0.36 3.28 -0.15 5.49 -1.32 -0.31 -0.34 115.64 121.92 1xm3 s THR 41 Ca 0.03 -1.69 -0.28 0.00 -1.21 0.00 0.00 61.69 58.54 1xm3 s THR 41 Cb -0.12 -2.65 0.08 0.00 -1.51 0.00 0.00 72.50 68.29 1xm3 s THR 41 CO 0.02 -0.16 0.75 0.72 -2.21 0.00 0.00 174.62 173.74 1xm3 s PHE 42 N -1.83 -0.66 -0.77 9.09 -0.71 -1.22 -1.30 117.98 120.57 1xm3 s PHE 42 Ca 0.26 1.36 -0.25 0.00 -1.04 0.00 0.00 56.93 57.26 1xm3 s PHE 42 Cb -0.08 0.36 0.05 0.00 -1.21 0.00 0.00 43.02 42.14 1xm3 s PHE 42 CO 0.16 -0.48 1.21 0.00 -1.34 0.00 0.00 175.22 174.78 1xm3 s ALA 43 N -0.54 2.88 0.23 1.99 0.00 -1.26 -0.54 121.76 124.51 1xm3 s ALA 43 Ca -0.05 -1.70 -0.06 0.00 0.00 0.00 0.00 51.96 50.14 1xm3 s ALA 43 Cb -0.02 -4.18 0.33 0.00 0.00 0.00 0.00 23.12 19.25 1xm3 s ALA 43 CO 0.05 -3.18 1.81 0.28 0.00 0.00 0.00 175.76 174.72 1xm3 h VAL 44 N 6.11 0.93 0.00 0.00 2.07 -1.85 -2.27 116.25 121.25 1xm3 h VAL 44 Ca -0.19 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1xm3 h VAL 44 Cb 1.05 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1xm3 h VAL 44 CO 1.27 0.14 0.05 -0.09 0.02 0.00 0.00 177.57 178.95 1xm3 h ARG 45 N 0.74 0.00 -1.32 1.57 1.12 -1.80 -3.37 114.38 111.31 1xm3 h ARG 45 Ca 0.35 0.00 -0.67 0.00 -1.11 0.00 0.00 59.98 58.56 1xm3 h ARG 45 Cb 0.29 0.00 -0.33 0.00 -0.01 0.00 0.00 29.97 29.92 1xm3 h ARG 45 CO -0.22 0.00 0.39 0.54 -3.11 0.00 0.00 179.97 177.56 1xm3 n ARG 46 N -2.95 2.99 -0.02 0.20 1.74 -0.86 -4.83 116.66 112.93 1xm3 n ARG 46 Ca -0.03 -3.70 -0.13 0.00 -0.77 0.00 0.00 57.85 53.23 1xm3 n ARG 46 Cb 0.11 -2.28 -0.09 0.00 -1.02 0.00 0.00 32.46 29.19 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 2.41 0.11 0.00 0.55 -1.07 -0.46 -3.42 115.58 113.70 1xm3 h ASN 48 Ca 0.51 -0.43 0.00 0.00 0.07 0.00 0.00 56.30 56.44 1xm3 h ASN 48 Cb 0.73 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 1xm3 h ASN 48 CO 1.29 0.52 0.06 0.16 0.07 0.00 0.00 177.43 179.53 1xm3 h ILE 49 N -0.29 0.00 0.00 6.14 3.07 -1.86 -0.37 117.51 124.19 1xm3 h ILE 49 Ca 0.01 0.00 -0.27 0.00 1.55 0.00 0.00 64.86 66.15 1xm3 h ILE 49 Cb 0.48 0.60 -0.05 0.00 -0.27 0.00 0.00 36.82 37.58 1xm3 h ILE 49 CO 0.01 0.00 -2.16 0.33 -1.05 0.00 0.00 178.15 175.28 1xm3 n PHE 50 N -2.48 0.17 -3.47 0.16 7.35 -1.26 -4.91 117.46 113.02 1xm3 n PHE 50 Ca -0.02 0.06 0.01 0.00 -0.76 0.00 0.00 57.45 56.74 1xm3 n PHE 50 Cb 0.10 -0.92 -0.03 0.00 0.35 0.00 0.00 39.48 38.98 1xm3 n PHE 50 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1xm3 s GLU 51 N -2.76 0.54 0.63 -4.13 2.12 -0.17 -5.03 118.70 109.89 1xm3 s GLU 51 Ca -0.08 1.23 0.28 0.00 0.36 0.00 0.00 54.97 56.75 1xm3 s GLU 51 Cb 0.08 0.73 1.48 0.00 0.26 0.00 0.00 34.13 36.68 1xm3 s GLU 51 CO 0.84 -0.31 1.87 0.00 -0.54 0.00 0.00 175.26 177.12 1xm3 h ALA 52 N 7.95 1.82 0.00 6.30 0.00 -1.85 0.34 119.26 133.82 1xm3 h ALA 52 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xm3 h ALA 52 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xm3 h ALA 52 CO 0.14 -0.57 0.00 0.45 0.00 0.00 0.00 179.25 179.26 1xm3 n SER 53 N -3.31 0.31 -4.92 0.00 2.88 -1.26 -4.76 113.62 102.57 1xm3 n SER 53 Ca 0.04 0.56 -0.31 0.00 -1.33 0.00 0.00 58.87 57.82 1xm3 n SER 53 Cb 0.57 -0.63 -0.04 0.00 -0.75 0.00 0.00 64.21 63.36 1xm3 n SER 53 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1xm3 s GLN 54 N -3.10 3.46 0.86 -1.46 -0.21 0.12 -5.03 119.66 114.31 1xm3 s GLN 54 Ca 0.09 -0.40 -0.13 0.00 0.02 0.00 0.00 55.36 54.94 1xm3 s GLN 54 Cb 0.12 -3.01 0.11 0.00 1.00 0.00 0.00 33.01 31.24 1xm3 s GLN 54 CO 0.42 0.59 1.19 -1.25 -2.12 0.00 0.00 175.29 174.12 1xm3 s PRO 55 N -2.56 1.55 -0.43 2.91 0.04 -1.26 -2.55 135.00 132.70 1xm3 s PRO 55 Ca 0.36 0.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 1xm3 s PRO 55 Cb -0.13 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.55 1xm3 s PRO 55 CO 0.28 -1.87 0.33 1.21 0.04 0.00 0.00 177.00 176.99 1xm3 s ASN 56 N -4.52 6.09 0.10 6.66 2.47 -1.26 -0.43 114.94 124.05 1xm3 s ASN 56 Ca 0.64 -1.11 0.12 0.00 0.42 0.00 0.00 52.86 52.94 1xm3 s ASN 56 Cb -0.11 -2.16 0.56 0.00 -1.45 0.00 0.00 41.25 38.10 1xm3 s ASN 56 CO 0.51 -0.53 1.38 0.49 -3.72 0.00 0.00 177.10 175.22 1xm3 n PHE 57 N 5.16 0.27 -1.09 0.43 3.72 -1.26 -2.66 117.46 122.02 1xm3 n PHE 57 Ca -0.12 0.12 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1xm3 n PHE 57 Cb 0.45 -0.70 0.29 0.00 -0.94 0.00 0.00 39.48 38.58 1xm3 n PHE 57 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xm3 n LEU 58 N -1.76 5.38 -4.77 4.37 4.77 -1.26 -4.28 117.00 119.46 1xm3 n LEU 58 Ca 0.01 -3.25 -0.37 0.00 -0.03 0.00 0.00 56.01 52.37 1xm3 n LEU 58 Cb 0.09 -0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 1xm3 n LEU 58 CO 0.09 0.84 0.83 -1.61 -1.33 0.00 0.00 177.39 176.21 1xm3 s GLU 59 N -3.00 3.76 0.00 3.23 2.02 -1.09 -3.07 118.70 120.56 1xm3 s GLU 59 Ca 0.51 1.78 0.00 0.00 0.02 0.00 0.00 54.97 57.28 1xm3 s GLU 59 Cb 0.42 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1xm3 s GLU 59 CO 0.11 -0.55 0.00 1.04 0.02 0.00 0.00 175.26 175.88 1xm3 n GLN 60 N -0.47 0.00 -2.90 1.61 6.02 -1.26 -4.96 117.38 115.42 1xm3 n GLN 60 Ca 0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.70 1xm3 n GLN 60 Cb 0.48 -2.01 -0.06 0.00 1.02 0.00 0.00 30.24 29.67 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 4.31 -0.81 1.08 1.43 -1.18 -5.00 118.68 118.52 1xm3 s LEU 61 Ca 0.00 1.67 -0.16 0.00 -1.03 0.00 0.00 54.13 54.61 1xm3 s LEU 61 Cb 0.00 -3.89 0.18 0.00 0.03 0.00 0.00 46.19 42.50 1xm3 s LEU 61 CO 0.00 -0.05 0.85 -0.62 0.23 0.00 0.00 176.35 176.76 1xm3 s ASP 62 N -1.67 6.63 0.65 2.29 -1.08 -1.26 -4.91 116.67 117.32 1xm3 s ASP 62 Ca 0.48 -2.31 0.38 0.00 -0.52 0.00 0.00 52.55 50.58 1xm3 s ASP 62 Cb -0.17 -2.28 2.10 0.00 -1.46 0.00 0.00 42.92 41.11 1xm3 s ASP 62 CO 0.22 -0.79 2.22 -0.07 0.52 0.00 0.00 175.17 177.26 1xm3 h LEU 63 N 8.86 0.00 -0.07 -1.34 3.38 -1.94 -1.96 115.31 122.24 1xm3 h LEU 63 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xm3 h LEU 63 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1xm3 h LEU 63 CO 0.91 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.90 1xm3 n SER 64 N -3.17 0.08 -0.48 -0.43 3.41 -1.26 -2.14 113.62 109.63 1xm3 n SER 64 Ca -0.02 0.52 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 1xm3 n SER 64 Cb 0.18 -0.54 0.45 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.59 1.57 -4.22 4.33 5.02 -0.74 -4.95 118.16 117.58 1xm3 n LYS 65 Ca 0.04 -0.97 -0.13 0.00 -2.02 0.00 0.00 58.31 55.23 1xm3 n LYS 65 Cb 0.21 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.10 1.16 -0.19 2.13 2.02 -0.91 -4.94 117.35 114.52 1xm3 s TYR 66 Ca 0.34 -1.13 -0.11 0.00 -0.37 0.00 0.00 57.07 55.80 1xm3 s TYR 66 Cb 0.21 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 41.06 1xm3 s TYR 66 CO 0.37 -0.35 0.16 0.99 -1.57 0.00 0.00 175.55 175.15 1xm3 s THR 67 N -3.82 5.39 -0.16 -0.71 2.01 0.26 -4.99 115.64 113.62 1xm3 s THR 67 Ca 0.27 0.26 -0.17 0.00 0.31 0.00 0.00 61.69 62.36 1xm3 s THR 67 Cb 0.07 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1xm3 s THR 67 CO 0.05 0.44 0.43 -0.76 -0.69 0.00 0.00 174.62 174.09 1xm3 s LEU 68 N 0.31 4.22 -0.64 4.42 2.01 -1.26 -2.18 118.68 125.56 1xm3 s LEU 68 Ca 0.10 0.65 0.06 0.00 0.01 0.00 0.00 54.13 54.95 1xm3 s LEU 68 Cb -0.11 -2.58 0.23 0.00 0.01 0.00 0.00 46.19 43.73 1xm3 s LEU 68 CO -0.01 -0.03 0.68 -0.11 1.01 0.00 0.00 176.35 177.89 1xm3 n LEU 69 N 4.03 3.40 -4.72 1.79 7.94 0.53 -1.94 117.00 128.03 1xm3 n LEU 69 Ca -0.08 -5.35 -0.38 0.00 -1.11 0.00 0.00 56.01 49.09 1xm3 n LEU 69 Cb 0.51 -0.62 0.05 0.00 0.53 0.00 0.00 43.42 43.89 1xm3 n LEU 69 CO 0.41 1.99 0.89 -0.81 -1.11 0.00 0.00 177.39 178.76 1xm3 n PRO 70 N 1.14 1.40 -4.45 1.96 -0.04 -1.26 -3.45 135.00 130.30 1xm3 n PRO 70 Ca 0.27 0.53 -0.24 0.00 -0.04 0.00 0.00 63.50 64.02 1xm3 n PRO 70 Cb 0.40 -2.49 -0.10 0.00 -0.04 0.00 0.00 33.50 31.27 1xm3 n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xm3 s ASN 71 N -1.09 3.76 -0.39 3.54 2.20 0.30 -1.24 114.94 122.02 1xm3 s ASN 71 Ca 0.75 -1.00 0.05 0.00 -0.94 0.00 0.00 52.86 51.72 1xm3 s ASN 71 Cb -0.41 -0.39 0.65 0.00 -2.00 0.00 0.00 41.25 39.10 1xm3 s ASN 71 CO 0.46 -0.01 1.84 0.35 -2.94 0.00 0.00 177.10 176.80 1xm3 n THR 72 N -0.69 3.01 -1.67 0.54 -2.24 -0.94 -3.05 114.28 109.23 1xm3 n THR 72 Ca -0.05 -1.73 -0.45 0.00 -2.27 0.00 0.00 64.05 59.55 1xm3 n THR 72 Cb 0.60 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 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 -0.83 1.02 0.00 6.98 0.00 -1.26 -1.66 120.51 124.77 1xm3 n ALA 73 Ca 0.52 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.37 1xm3 n ALA 73 Cb 1.54 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 2.09 2.15 3.74 0.00 0.00 -1.26 -4.45 105.19 107.46 1xm3 n GLY 74 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.15 3.44 -0.45 4.61 0.00 -0.66 -4.92 121.76 121.62 1xm3 s ALA 75 Ca 0.00 0.96 0.14 0.00 0.00 0.00 0.00 51.96 53.06 1xm3 s ALA 75 Cb 0.00 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 1xm3 s ALA 75 CO 0.00 -0.37 0.50 0.43 0.00 0.00 0.00 175.76 176.33 1xm3 n SER 76 N 2.31 1.00 -4.22 0.00 7.64 -1.26 -3.27 113.62 115.82 1xm3 n SER 76 Ca 0.04 -0.56 -0.13 0.00 1.01 0.00 0.00 58.87 59.23 1xm3 n SER 76 Cb 0.44 1.21 -0.10 0.00 -1.01 0.00 0.00 64.21 64.75 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 -2.53 0.42 0.25 0.44 -4.23 -1.26 -4.87 115.64 103.86 1xm3 s THR 77 Ca 0.02 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1xm3 s THR 77 Cb 0.10 -2.20 0.15 0.00 1.34 0.00 0.00 72.50 71.89 1xm3 s THR 77 CO 0.58 -0.37 1.79 0.00 -0.54 0.00 0.00 174.62 176.09 1xm3 h ALA 78 N 2.70 1.13 -0.43 3.99 0.00 -1.95 -2.28 119.26 122.41 1xm3 h ALA 78 Ca -0.36 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.34 1xm3 h ALA 78 Cb 1.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1xm3 h ALA 78 CO 0.61 0.59 0.27 0.93 0.00 0.00 0.00 179.25 181.65 1xm3 h GLU 79 N 0.93 0.54 -0.68 0.00 3.07 -1.96 -0.92 114.58 115.55 1xm3 h GLU 79 Ca 0.20 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 1xm3 h GLU 79 Cb 0.30 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1xm3 h GLU 79 CO -0.00 0.36 0.17 0.93 -1.40 0.00 0.00 179.01 179.06 1xm3 h GLU 80 N 0.55 1.09 -0.44 2.33 5.08 -1.92 -1.82 114.58 119.45 1xm3 h GLU 80 Ca 0.16 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xm3 h GLU 80 Cb -0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1xm3 h GLU 80 CO -0.05 0.96 0.23 0.00 -1.00 0.00 0.00 179.01 179.14 1xm3 h ALA 81 N 1.14 0.57 -0.91 3.43 0.00 -1.02 -0.90 119.26 121.57 1xm3 h ALA 81 Ca 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xm3 h ALA 81 Cb 0.36 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1xm3 h ALA 81 CO 0.00 0.11 0.54 0.28 0.00 0.00 0.00 179.25 180.18 1xm3 h VAL 82 N 0.58 1.25 -0.47 0.00 2.07 -0.91 -0.70 116.25 118.06 1xm3 h VAL 82 Ca 0.15 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1xm3 h VAL 82 Cb 0.08 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1xm3 h VAL 82 CO -0.02 0.27 0.18 -0.09 0.02 0.00 0.00 177.57 177.92 1xm3 h ARG 83 N 1.25 0.71 -0.49 1.57 2.43 -0.93 -0.77 114.38 118.15 1xm3 h ARG 83 Ca 0.32 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1xm3 h ARG 83 Cb -0.04 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1xm3 h ARG 83 CO -0.06 0.65 0.19 0.82 -1.51 0.00 0.00 179.97 180.05 1xm3 h ILE 84 N 0.62 1.21 -0.32 1.20 2.04 -0.81 -1.58 117.51 119.87 1xm3 h ILE 84 Ca 0.16 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1xm3 h ILE 84 Cb 0.21 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1xm3 h ILE 84 CO -0.01 0.25 0.19 0.00 0.00 0.00 0.00 178.15 178.58 1xm3 h ALA 85 N 1.03 0.40 -0.68 1.87 0.00 -0.88 -1.16 119.26 119.85 1xm3 h ALA 85 Ca 0.16 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1xm3 h ALA 85 Cb 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1xm3 h ALA 85 CO -0.01 -0.18 0.43 0.00 0.00 0.00 0.00 179.25 179.49 1xm3 h ARG 86 N 0.38 0.82 0.18 0.00 3.08 -0.92 -1.44 114.38 116.48 1xm3 h ARG 86 Ca 0.13 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xm3 h ARG 86 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1xm3 h ARG 86 CO -0.06 0.54 -0.12 1.25 -1.07 0.00 0.00 179.97 180.51 1xm3 h LEU 87 N 0.85 -0.32 -0.80 3.04 5.85 -0.89 -0.13 115.31 122.92 1xm3 h LEU 87 Ca 0.27 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.17 1xm3 h LEU 87 Cb 0.00 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 1xm3 h LEU 87 CO -0.10 -0.20 0.35 0.00 -0.34 0.00 0.00 178.44 178.15 1xm3 h ALA 88 N 0.50 1.16 -0.37 1.25 0.00 -0.85 0.37 119.26 121.32 1xm3 h ALA 88 Ca -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xm3 h ALA 88 Cb 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xm3 h ALA 88 CO 0.00 -0.20 0.03 -0.22 0.00 0.00 0.00 179.25 178.87 1xm3 h LYS 89 N 0.48 0.64 0.00 0.00 3.64 -0.80 -0.99 116.57 119.54 1xm3 h LYS 89 Ca 0.45 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1xm3 h LYS 89 Cb 0.69 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1xm3 h LYS 89 CO -0.41 0.72 -0.20 0.00 -2.27 0.00 0.00 179.45 177.29 1xm3 h ALA 90 N 0.89 1.51 -0.00 5.00 0.00 0.09 -1.17 119.26 125.57 1xm3 h ALA 90 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xm3 h ALA 90 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xm3 h ALA 90 CO 0.01 0.26 0.00 0.43 0.00 0.00 0.00 179.25 179.95 1xm3 n SER 91 N -4.08 0.36 -1.61 0.00 7.64 0.01 -4.90 113.62 111.05 1xm3 n SER 91 Ca -0.02 -1.12 -0.13 0.00 1.01 0.00 0.00 58.87 58.61 1xm3 n SER 91 Cb 0.28 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 1.04 -0.15 2.28 0.23 0.00 -0.44 -4.94 105.19 103.21 1xm3 n GLY 92 Ca 0.23 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.05 4.27 -3.45 0.99 4.77 -0.40 -5.01 117.00 116.12 1xm3 n LEU 93 Ca -0.14 -4.61 -0.11 0.00 -0.03 0.00 0.00 56.01 51.12 1xm3 n LEU 93 Cb 0.61 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1xm3 n LEU 93 CO 0.21 1.99 -0.07 0.00 -1.33 0.00 0.00 177.39 178.18 1xm3 n ASP 95 N 5.36 1.50 -3.74 0.00 8.00 -0.82 -4.91 116.55 121.94 1xm3 n ASP 95 Ca -0.05 -1.25 -0.13 0.00 0.71 0.00 0.00 54.79 54.07 1xm3 n ASP 95 Cb 0.50 0.62 -0.14 0.00 -0.02 0.00 0.00 41.12 42.09 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 -2.26 -0.05 -0.41 0.53 1.10 -0.03 -4.60 121.20 115.47 1xm3 s ILE 97 Ca 0.13 0.17 -0.20 0.00 -0.51 0.00 0.00 60.65 60.24 1xm3 s ILE 97 Cb 0.14 -0.31 0.02 0.00 0.15 0.00 0.00 42.46 42.46 1xm3 s ILE 97 CO 0.54 0.07 0.59 -0.75 -2.11 0.00 0.00 174.94 173.28 1xm3 s LYS 98 N 1.25 3.37 -0.29 3.50 2.20 -0.37 -1.40 119.74 128.01 1xm3 s LYS 98 Ca -0.09 -0.32 -0.26 0.00 -0.36 0.00 0.00 55.97 54.94 1xm3 s LYS 98 Cb -0.11 -3.91 0.01 0.00 -1.51 0.00 0.00 37.83 32.31 1xm3 s LYS 98 CO -0.07 -0.89 0.91 0.08 -0.36 0.00 0.00 175.35 175.01 1xm3 s VAL 99 N 2.65 4.70 -0.19 4.02 1.01 -0.49 -2.22 120.40 129.88 1xm3 s VAL 99 Ca 0.21 1.50 -0.03 0.00 0.00 0.00 0.00 61.98 63.66 1xm3 s VAL 99 Cb -0.15 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.05 1xm3 s VAL 99 CO 0.17 -0.28 0.04 -0.70 0.00 0.00 0.00 175.10 174.32 1xm3 s GLU 100 N 3.17 0.62 -0.36 2.72 2.12 -1.26 -0.66 118.70 125.04 1xm3 s GLU 100 Ca 0.38 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.35 1xm3 s GLU 100 Cb -0.14 -2.05 0.11 0.00 0.26 0.00 0.00 34.13 32.31 1xm3 s GLU 100 CO 0.12 -0.63 0.11 0.08 -0.54 0.00 0.00 175.26 174.40 1xm3 s VAL 101 N 1.88 1.80 0.08 3.70 1.01 -1.26 -4.14 120.40 123.47 1xm3 s VAL 101 Ca -0.01 -2.21 -0.30 0.00 0.00 0.00 0.00 61.98 59.46 1xm3 s VAL 101 Cb -0.17 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.84 1xm3 s VAL 101 CO -0.08 -0.68 1.17 -0.63 0.00 0.00 0.00 175.10 174.89 1xm3 s ILE 102 N 0.91 4.04 -1.27 2.22 1.01 -1.20 -0.49 121.20 126.41 1xm3 s ILE 102 Ca 0.12 1.50 0.11 0.00 0.00 0.00 0.00 60.65 62.38 1xm3 s ILE 102 Cb -0.20 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.37 1xm3 s ILE 102 CO -0.11 0.14 0.80 0.61 0.00 0.00 0.00 174.94 176.38 1xm3 n GLY 103 N 3.01 -0.31 2.74 6.18 0.00 0.08 -4.65 105.19 112.24 1xm3 n GLY 103 Ca 0.08 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 8.36 0.00 0.00 0.00 4.64 -1.92 0.50 113.55 125.14 1xm3 h SER 105 Ca -0.17 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.02 1xm3 h SER 105 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1xm3 h SER 105 CO 0.22 0.00 -0.70 -0.09 -0.87 0.00 0.00 176.83 175.40 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 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1xm3 h ARG 106 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1xm3 h ARG 106 CO 0.00 0.96 -1.60 -1.13 -1.51 0.00 0.00 179.97 176.69 1xm3 n SER 107 N -4.52 0.40 -0.70 -3.80 3.41 -1.24 -4.97 113.62 102.20 1xm3 n SER 107 Ca -0.22 0.16 -0.09 0.00 -0.26 0.00 0.00 58.87 58.46 1xm3 n SER 107 Cb 0.58 1.19 -0.04 0.00 -0.26 0.00 0.00 64.21 65.68 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 -2.50 -0.54 -4.78 1.04 4.77 0.18 -4.22 117.00 110.95 1xm3 n LEU 108 Ca -0.05 0.22 -0.35 0.00 -0.03 0.00 0.00 56.01 55.80 1xm3 n LEU 108 Cb 0.62 -1.78 -0.01 0.00 -2.33 0.00 0.00 43.42 39.92 1xm3 n LEU 108 CO 0.43 -0.60 0.78 -0.76 -1.33 0.00 0.00 177.39 175.91 1xm3 s LEU 109 N -2.07 3.86 0.56 2.23 1.43 -1.25 -4.68 118.68 118.76 1xm3 s LEU 109 Ca 0.00 2.15 -0.19 0.00 -1.03 0.00 0.00 54.13 55.06 1xm3 s LEU 109 Cb 0.00 -4.47 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 1xm3 s LEU 109 CO 0.00 -1.01 1.11 -2.16 0.23 0.00 0.00 176.35 174.52 1xm3 s PRO 110 N -3.08 3.31 -0.40 1.29 0.04 -1.26 -0.74 135.00 134.16 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 -0.23 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1xm3 s PRO 110 CO 0.27 -0.86 0.72 0.34 0.04 0.00 0.00 177.00 177.51 1xm3 s ASP 111 N -1.98 6.43 0.22 6.66 -1.08 0.36 -4.55 116.67 122.73 1xm3 s ASP 111 Ca 0.71 0.03 -0.08 0.00 -0.52 0.00 0.00 52.55 52.69 1xm3 s ASP 111 Cb -0.22 -2.36 0.17 0.00 -1.46 0.00 0.00 42.92 39.05 1xm3 s ASP 111 CO 0.29 -0.77 1.81 1.55 0.52 0.00 0.00 175.17 178.58 1xm3 h PRO 112 N 8.71 1.19 -0.03 4.34 0.13 -1.95 -1.03 132.00 143.36 1xm3 h PRO 112 Ca -0.25 -0.17 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xm3 h PRO 112 Cb 1.10 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1xm3 h PRO 112 CO 0.91 0.92 0.00 0.28 -0.23 0.00 0.00 178.00 179.87 1xm3 h VAL 113 N 1.18 1.24 -0.19 1.56 2.07 -1.98 -1.48 116.25 118.65 1xm3 h VAL 113 Ca 0.29 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1xm3 h VAL 113 Cb 0.12 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1xm3 h VAL 113 CO -0.04 0.19 -0.26 -0.33 0.02 0.00 0.00 177.57 177.15 1xm3 h GLU 114 N -0.24 0.36 -0.44 1.57 4.39 -1.94 -1.79 114.58 116.49 1xm3 h GLU 114 Ca 0.01 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 1xm3 h GLU 114 Cb 0.31 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1xm3 h GLU 114 CO 0.00 0.59 -0.16 1.15 -1.16 0.00 0.00 179.01 179.43 1xm3 h THR 115 N 0.32 1.27 -0.23 1.13 2.02 -1.11 0.86 112.91 117.17 1xm3 h THR 115 Ca 0.05 -1.30 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 1xm3 h THR 115 Cb 0.63 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1xm3 h THR 115 CO 0.05 0.44 0.14 0.25 0.37 0.00 0.00 175.52 176.76 1xm3 h LEU 116 N 0.73 0.27 -0.23 2.58 5.85 -1.09 -1.33 115.31 122.10 1xm3 h LEU 116 Ca 0.10 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xm3 h LEU 116 Cb 0.72 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1xm3 h LEU 116 CO 0.06 0.25 0.10 0.50 -0.34 0.00 0.00 178.44 179.00 1xm3 h LYS 117 N 0.28 0.33 -0.67 1.25 3.64 -1.14 -2.29 116.57 117.96 1xm3 h LYS 117 Ca 0.08 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1xm3 h LYS 117 Cb 0.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1xm3 h LYS 117 CO -0.01 0.36 0.13 0.00 -2.27 0.00 0.00 179.45 177.66 1xm3 h ALA 118 N 0.95 0.96 -0.50 5.00 0.00 -0.76 -2.15 119.26 122.75 1xm3 h ALA 118 Ca 0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xm3 h ALA 118 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xm3 h ALA 118 CO -0.01 0.66 0.21 0.77 0.00 0.00 0.00 179.25 180.88 1xm3 h SER 119 N 1.03 0.68 -0.34 0.00 0.02 -1.15 -1.12 113.55 112.68 1xm3 h SER 119 Ca 0.21 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1xm3 h SER 119 Cb 0.41 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1xm3 h SER 119 CO 0.01 0.66 0.18 -0.08 -1.14 0.00 0.00 176.83 176.46 1xm3 h GLU 120 N 0.67 0.47 -0.20 3.45 4.81 -1.26 -1.44 114.58 121.09 1xm3 h GLU 120 Ca 0.17 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1xm3 h GLU 120 Cb 0.18 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1xm3 h GLU 120 CO -0.02 0.40 0.08 0.37 -0.73 0.00 0.00 179.01 179.11 1xm3 h GLN 121 N 0.42 0.30 -0.58 1.92 5.75 -1.22 -1.95 115.11 119.75 1xm3 h GLN 121 Ca 0.12 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 1xm3 h GLN 121 Cb 0.06 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1xm3 h GLN 121 CO -0.02 0.36 0.21 -0.07 -2.65 0.00 0.00 178.83 176.67 1xm3 h LEU 122 N 0.17 0.78 -0.90 -2.39 3.38 -1.12 -0.89 115.31 114.34 1xm3 h LEU 122 Ca 0.07 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1xm3 h LEU 122 Cb 0.18 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1xm3 h LEU 122 CO -0.01 0.72 0.20 -0.07 0.09 0.00 0.00 178.44 179.37 1xm3 h LEU 123 N 0.84 0.93 -1.16 1.67 3.38 -1.08 -1.61 115.31 118.28 1xm3 h LEU 123 Ca 0.20 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1xm3 h LEU 123 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1xm3 h LEU 123 CO -0.01 0.88 0.07 -0.08 0.09 0.00 0.00 178.44 179.38 1xm3 h GLU 124 N 0.97 0.65 -0.38 1.13 4.81 -0.52 -2.12 114.58 119.12 1xm3 h GLU 124 Ca 0.21 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1xm3 h GLU 124 Cb 0.29 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1xm3 h GLU 124 CO -0.01 0.63 0.00 0.39 -0.73 0.00 0.00 179.01 179.29 1xm3 n GLU 125 N -4.29 1.53 -0.95 1.92 1.02 -0.43 -4.90 120.64 114.55 1xm3 n GLU 125 Ca 0.03 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 1xm3 n GLU 125 Cb 0.23 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.58 0.46 3.88 0.62 0.00 -0.80 -5.05 105.19 104.89 1xm3 n GLY 126 Ca 0.06 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 3.49 -0.34 1.61 0.40 -0.74 -5.03 117.98 115.38 1xm3 s PHE 127 Ca 0.00 1.00 -0.20 0.00 -0.60 0.00 0.00 56.93 57.13 1xm3 s PHE 127 Cb 0.00 -2.42 -0.00 0.00 0.51 0.00 0.00 43.02 41.11 1xm3 s PHE 127 CO 0.00 -0.14 0.64 0.42 0.70 0.00 0.00 175.22 176.84 1xm3 s ILE 128 N -2.44 4.90 -0.16 0.64 -1.09 -1.26 -4.55 121.20 117.23 1xm3 s ILE 128 Ca 0.50 0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 59.56 1xm3 s ILE 128 Cb -0.10 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1xm3 s ILE 128 CO 0.34 -0.26 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.09 1xm3 s VAL 129 N 2.69 4.18 -0.32 2.92 1.01 -1.26 -0.85 120.40 128.77 1xm3 s VAL 129 Ca 0.25 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1xm3 s VAL 129 Cb -0.15 -2.84 0.10 0.00 0.00 0.00 0.00 36.38 33.49 1xm3 s VAL 129 CO 0.14 0.49 0.09 -0.76 0.00 0.00 0.00 175.10 175.06 1xm3 s LEU 130 N 0.27 2.97 0.11 3.92 1.02 -0.49 -0.70 118.68 125.78 1xm3 s LEU 130 Ca -0.01 -1.80 -0.28 0.00 0.02 0.00 0.00 54.13 52.06 1xm3 s LEU 130 Cb -0.13 -1.09 -0.06 0.00 0.02 0.00 0.00 46.19 44.93 1xm3 s LEU 130 CO 0.02 -0.40 0.86 -2.16 0.02 0.00 0.00 176.35 174.69 1xm3 s PRO 131 N 1.39 4.63 -0.01 1.29 0.04 -1.24 -1.40 135.00 139.70 1xm3 s PRO 131 Ca 0.10 1.28 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1xm3 s PRO 131 Cb -0.18 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1xm3 s PRO 131 CO -0.20 0.32 0.83 -0.47 0.04 0.00 0.00 177.00 177.51 1xm3 s TYR 132 N -0.29 3.65 0.34 0.56 5.04 0.16 -4.61 117.35 122.22 1xm3 s TYR 132 Ca 0.42 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.58 1xm3 s TYR 132 Cb -0.23 -2.93 -0.02 0.00 0.35 0.00 0.00 41.96 39.13 1xm3 s TYR 132 CO 0.27 0.10 0.36 -0.08 -1.34 0.00 0.00 175.55 174.87 1xm3 s THR 133 N 0.64 0.00 0.05 4.34 -1.32 -1.26 -4.81 115.64 113.29 1xm3 s THR 133 Ca 0.43 -1.84 -0.00 0.00 -1.21 0.00 0.00 61.69 59.07 1xm3 s THR 133 Cb -0.20 -2.57 0.01 0.00 -1.51 0.00 0.00 72.50 68.23 1xm3 s THR 133 CO 0.23 0.00 0.07 -1.54 -2.21 0.00 0.00 174.62 171.17 1xm3 n SER 134 N -1.59 0.05 -1.85 8.08 3.41 -1.26 -1.07 113.62 119.38 1xm3 n SER 134 Ca 0.05 -1.05 -0.05 0.00 -0.26 0.00 0.00 58.87 57.56 1xm3 n SER 134 Cb 0.62 -0.05 0.27 0.00 -0.26 0.00 0.00 64.21 64.79 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 -3.02 4.50 -4.63 4.04 5.68 -1.26 -4.31 116.55 117.55 1xm3 n ASP 135 Ca 0.01 -3.04 -0.43 0.00 -0.50 0.00 0.00 54.79 50.83 1xm3 n ASP 135 Cb 0.03 -0.72 -0.02 0.00 -1.14 0.00 0.00 41.12 39.27 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 -0.79 6.47 0.08 -1.12 -1.08 -1.26 -4.74 116.67 114.23 1xm3 s ASP 136 Ca 0.48 1.54 -0.28 0.00 -0.52 0.00 0.00 52.55 53.77 1xm3 s ASP 136 Cb 0.38 -2.53 -0.16 0.00 -1.46 0.00 0.00 42.92 39.15 1xm3 s ASP 136 CO 0.12 -1.20 1.68 0.58 0.52 0.00 0.00 175.17 176.87 1xm3 h VAL 137 N 6.07 0.63 -0.08 1.11 2.07 -1.90 -2.47 116.25 121.68 1xm3 h VAL 137 Ca -0.32 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1xm3 h VAL 137 Cb 1.14 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1xm3 h VAL 137 CO 1.01 0.00 -0.37 0.58 0.02 0.00 0.00 177.57 178.80 1xm3 h VAL 138 N -0.46 1.29 -0.79 2.57 2.07 -1.99 -2.70 116.25 116.24 1xm3 h VAL 138 Ca -0.04 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.11 1xm3 h VAL 138 Cb 0.37 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1xm3 h VAL 138 CO 0.04 0.41 0.51 0.25 0.02 0.00 0.00 177.57 178.81 1xm3 h LEU 139 N 0.15 0.86 -0.96 2.57 5.85 -1.93 -0.30 115.31 121.55 1xm3 h LEU 139 Ca 0.02 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1xm3 h LEU 139 Cb 0.73 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1xm3 h LEU 139 CO 0.06 0.61 0.61 0.00 -0.34 0.00 0.00 178.44 179.38 1xm3 h ALA 140 N 1.31 1.31 -0.17 1.25 0.00 -1.11 -1.18 119.26 120.67 1xm3 h ALA 140 Ca 0.30 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1xm3 h ALA 140 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1xm3 h ALA 140 CO -0.09 0.41 -0.56 -0.09 0.00 0.00 0.00 179.25 178.92 1xm3 h ARG 141 N 1.13 0.51 -0.90 0.00 2.43 -1.18 -1.97 114.38 114.41 1xm3 h ARG 141 Ca 0.41 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1xm3 h ARG 141 Cb 0.13 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1xm3 h ARG 141 CO -0.16 0.94 0.53 0.87 -1.51 0.00 0.00 179.97 180.63 1xm3 h LYS 142 N 0.39 1.23 -0.27 0.20 1.79 -0.20 0.60 116.57 120.32 1xm3 h LYS 142 Ca 0.00 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1xm3 h LYS 142 Cb 1.10 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 1xm3 h LYS 142 CO 0.10 0.88 0.10 -0.07 -1.08 0.00 0.00 179.45 179.38 1xm3 h LEU 143 N 1.25 0.38 -0.70 2.94 3.38 -1.09 -2.79 115.31 118.68 1xm3 h LEU 143 Ca 0.32 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1xm3 h LEU 143 Cb -0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1xm3 h LEU 143 CO -0.06 0.45 0.44 -0.33 0.09 0.00 0.00 178.44 179.03 1xm3 h GLU 144 N 0.28 0.82 0.00 1.13 5.08 -0.83 -1.85 114.58 119.21 1xm3 h GLU 144 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xm3 h GLU 144 Cb 0.20 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xm3 h GLU 144 CO -0.01 0.54 0.00 0.39 -1.00 0.00 0.00 179.01 178.94 1xm3 n GLU 145 N -4.67 0.00 0.12 2.33 1.02 0.16 -0.71 120.64 118.89 1xm3 n GLU 145 Ca 0.08 0.35 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1xm3 n GLU 145 Cb 0.09 -1.51 0.27 0.00 -0.02 0.00 0.00 31.44 30.28 1xm3 n GLU 145 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1xm3 h LEU 146 N 0.00 0.00 0.00 -4.62 3.38 -1.08 -3.47 115.31 109.52 1xm3 h LEU 146 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xm3 h LEU 146 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xm3 h LEU 146 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1xm3 n GLY 147 N 1.27 1.19 3.69 0.83 0.00 0.11 -4.96 105.19 107.31 1xm3 n GLY 147 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 2.56 -1.39 1.61 -7.23 -1.24 -4.94 120.40 107.77 1xm3 s VAL 148 Ca 0.00 0.18 0.23 0.00 -1.81 0.00 0.00 61.98 60.58 1xm3 s VAL 148 Cb 0.00 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 1xm3 s VAL 148 CO 0.00 -0.24 1.14 1.41 -0.31 0.00 0.00 175.10 177.10 1xm3 n HIS 149 N -4.04 0.00 -3.53 2.82 8.25 0.12 -4.93 115.22 113.92 1xm3 n HIS 149 Ca 0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.45 1xm3 n HIS 149 Cb 0.54 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.79 -1.87 0.00 -1.41 0.00 -1.22 -4.19 121.76 110.28 1xm3 s ALA 150 Ca 0.14 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1xm3 s ALA 150 Cb 0.17 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1xm3 s ALA 150 CO 0.71 -0.60 0.00 0.44 0.00 0.00 0.00 175.76 176.31 1xm3 n ILE 151 N -0.03 0.00 -3.64 0.00 -5.35 -0.59 -3.61 119.36 106.14 1xm3 n ILE 151 Ca -0.08 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.35 1xm3 n ILE 151 Cb 0.61 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.44 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 0.18 0.27 6.28 0.04 -1.24 -1.64 135.00 137.92 1xm3 s PRO 153 Ca 0.00 0.19 -0.27 0.00 0.04 0.00 0.00 61.00 60.96 1xm3 s PRO 153 Cb 0.00 0.09 -0.09 0.00 0.04 0.00 0.00 34.50 34.53 1xm3 s PRO 153 CO 0.00 -0.03 0.92 0.20 0.04 0.00 0.00 177.00 178.13 1xm3 s GLY 154 N -0.04 2.94 0.15 0.56 0.00 -0.24 -1.48 107.32 109.22 1xm3 s GLY 154 Ca 0.06 0.54 -0.09 0.00 0.00 0.00 0.00 44.72 45.23 1xm3 s GLY 154 CO -0.12 1.04 1.48 0.00 0.00 0.00 0.00 173.10 175.49 1xm3 h ALA 155 N 3.70 0.59 -2.98 3.20 0.00 -1.57 -3.40 119.26 118.80 1xm3 h ALA 155 Ca -0.46 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1xm3 h ALA 155 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xm3 h ALA 155 CO 0.66 0.68 0.28 -1.54 0.00 0.00 0.00 179.25 179.33 1xm3 s SER 156 N -6.88 -0.04 0.60 0.00 1.04 -1.22 -1.79 113.70 105.42 1xm3 s SER 156 Ca -0.10 -1.05 -0.19 0.00 0.48 0.00 0.00 55.95 55.09 1xm3 s SER 156 Cb 0.11 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 67.02 1xm3 s SER 156 CO 0.87 -1.62 1.18 -2.65 0.98 0.00 0.00 173.24 172.00 1xm3 n PRO 157 N -0.52 1.16 -1.64 4.02 -0.02 -1.26 -4.03 135.00 132.71 1xm3 n PRO 157 Ca -0.08 0.45 -0.49 0.00 -2.02 0.00 0.00 63.50 61.36 1xm3 n PRO 157 Cb 0.60 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.62 0.04 -1.00 4.25 5.41 -1.26 -1.47 119.36 123.71 1xm3 n ILE 158 Ca 0.14 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.88 1xm3 n ILE 158 Cb 0.47 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.15 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 3.12 0.25 0.12 7.39 0.00 -1.26 -4.89 105.19 109.92 1xm3 n GLY 159 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 0.06 -0.21 1.61 4.64 -1.55 -3.47 113.55 114.63 1xm3 h SER 160 Ca 0.00 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1xm3 h SER 160 Cb 0.51 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 1xm3 h SER 160 CO 0.00 0.76 -0.08 0.61 -0.87 0.00 0.00 176.83 177.24 1xm3 n GLY 161 N 0.53 0.62 0.02 -0.77 0.00 -1.24 -4.89 105.19 99.46 1xm3 n GLY 161 Ca -0.01 -0.17 0.13 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 -1.42 0.08 0.00 1.61 6.02 -1.13 -4.16 117.38 118.38 1xm3 n GLN 162 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1xm3 n GLN 162 Cb 0.33 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 1.48 -0.95 3.62 1.08 0.00 0.82 -4.72 105.19 106.52 1xm3 n GLY 163 Ca 0.07 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 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 4.45 -0.12 -0.61 2.07 -1.26 -3.45 121.20 122.28 1xm3 s ILE 164 Ca 0.00 1.40 0.15 0.00 -1.41 0.00 0.00 60.65 60.80 1xm3 s ILE 164 Cb 0.00 -4.44 -0.06 0.00 0.13 0.00 0.00 42.46 38.09 1xm3 s ILE 164 CO 0.00 -0.65 1.10 -0.07 -1.91 0.00 0.00 174.94 173.41 1xm3 h LEU 165 N 10.40 0.00 -6.38 8.50 3.38 -1.64 -3.41 115.31 126.16 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 1.07 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.42 1xm3 h LEU 165 CO 1.04 0.57 -0.91 -3.20 0.09 0.00 0.00 178.44 176.04 1xm3 n ASN 166 N -3.05 0.65 0.20 -0.43 2.85 -1.26 -4.96 115.26 109.25 1xm3 n ASN 166 Ca -0.04 -2.69 0.07 0.00 -0.11 0.00 0.00 54.58 51.81 1xm3 n ASN 166 Cb 0.80 -0.62 0.59 0.00 1.24 0.00 0.00 39.78 41.79 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 5.06 0.13 0.23 1.20 0.13 -1.95 -2.16 132.00 134.64 1xm3 h PRO 167 Ca 0.19 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1xm3 h PRO 167 Cb 0.85 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xm3 h PRO 167 CO 0.49 0.09 -0.11 1.25 -0.23 0.00 0.00 178.00 179.49 1xm3 h LEU 168 N 0.14 -0.26 -0.59 1.56 5.85 -1.99 0.18 115.31 120.19 1xm3 h LEU 168 Ca 0.04 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1xm3 h LEU 168 Cb -0.01 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1xm3 h LEU 168 CO -0.01 -0.14 0.38 0.78 -0.34 0.00 0.00 178.44 179.12 1xm3 h ASN 169 N -0.37 0.65 -0.74 1.25 4.21 -1.80 -1.45 115.58 117.32 1xm3 h ASN 169 Ca -0.03 -0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.46 1xm3 h ASN 169 Cb 0.28 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.29 1xm3 h ASN 169 CO 0.05 0.47 0.44 0.25 -1.29 0.00 0.00 177.43 177.35 1xm3 h LEU 170 N 0.78 0.91 -0.69 1.61 5.85 -1.18 -1.35 115.31 121.23 1xm3 h LEU 170 Ca 0.23 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1xm3 h LEU 170 Cb -0.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1xm3 h LEU 170 CO -0.07 0.70 0.46 0.28 -0.34 0.00 0.00 178.44 179.48 1xm3 h SER 171 N 1.04 0.79 -0.49 1.25 0.02 0.32 -0.31 113.55 116.17 1xm3 h SER 171 Ca 0.27 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1xm3 h SER 171 Cb -0.03 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1xm3 h SER 171 CO -0.05 0.57 0.14 -0.26 -1.14 0.00 0.00 176.83 176.10 1xm3 h PHE 172 N 0.94 0.80 -0.62 3.45 0.04 -0.53 -0.98 116.94 120.03 1xm3 h PHE 172 Ca 0.26 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1xm3 h PHE 172 Cb -0.10 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 1xm3 h PHE 172 CO -0.03 0.71 0.40 0.82 -0.60 0.00 0.00 178.31 179.61 1xm3 h ILE 173 N 0.66 1.17 -0.28 -0.55 2.04 -0.85 -1.75 117.51 117.96 1xm3 h ILE 173 Ca 0.16 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1xm3 h ILE 173 Cb 0.29 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1xm3 h ILE 173 CO -0.00 0.17 -0.34 0.16 0.00 0.00 0.00 178.15 178.13 1xm3 h ILE 174 N 0.85 1.30 0.00 -0.67 3.07 -0.92 -2.52 117.51 118.62 1xm3 h ILE 174 Ca 0.23 -1.53 -0.03 0.00 1.55 0.00 0.00 64.86 65.08 1xm3 h ILE 174 Cb -0.07 1.64 -0.00 0.00 -0.27 0.00 0.00 36.82 38.11 1xm3 h ILE 174 CO -0.05 0.49 -0.14 -0.33 -1.05 0.00 0.00 178.15 177.07 1xm3 h GLU 175 N 0.46 0.00 0.00 0.16 5.08 -1.01 -3.01 114.58 116.26 1xm3 h GLU 175 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xm3 h GLU 175 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1xm3 h GLU 175 CO 0.08 0.14 -1.38 0.00 -1.00 0.00 0.00 179.01 176.85 1xm3 n GLN 176 N -3.37 0.59 -1.74 2.33 10.64 -0.67 -5.00 117.38 120.16 1xm3 n GLN 176 Ca -0.00 -0.01 -0.38 0.00 -1.83 0.00 0.00 57.00 54.77 1xm3 n GLN 176 Cb 0.34 -1.69 0.05 0.00 -0.86 0.00 0.00 30.24 28.08 1xm3 n GLN 176 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xm3 n ALA 177 N -2.17 1.55 0.25 2.61 0.00 -0.95 -4.94 120.51 116.85 1xm3 n ALA 177 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1xm3 n ALA 177 Cb 0.55 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.64 1xm3 n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xm3 n LYS 178 N -1.08 2.87 -4.41 0.00 5.02 -1.26 -5.00 118.16 114.30 1xm3 n LYS 178 Ca 0.11 -0.38 -0.20 0.00 -2.02 0.00 0.00 58.31 55.82 1xm3 n LYS 178 Cb 0.45 -0.91 -0.10 0.00 -0.02 0.00 0.00 35.03 34.44 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 -1.06 1.44 0.47 -0.18 -7.23 -1.26 -5.12 120.40 107.46 1xm3 s VAL 179 Ca 0.04 -2.08 -0.24 0.00 -1.81 0.00 0.00 61.98 57.89 1xm3 s VAL 179 Cb 0.04 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 1xm3 s VAL 179 CO 0.16 -0.26 1.36 -2.65 -0.31 0.00 0.00 175.10 173.40 1xm3 n PRO 180 N -0.57 1.99 -4.06 4.82 -0.02 -1.26 -4.79 135.00 131.12 1xm3 n PRO 180 Ca -0.05 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 1xm3 n PRO 180 Cb 0.64 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 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 2.44 -0.18 -1.45 1.01 -1.26 -1.54 120.40 118.20 1xm3 s VAL 181 Ca 0.64 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1xm3 s VAL 181 Cb -0.45 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1xm3 s VAL 181 CO 0.55 0.49 -0.18 -0.51 0.00 0.00 0.00 175.10 175.44 1xm3 s ILE 182 N 1.34 1.98 -0.01 2.22 2.07 -0.65 -0.35 121.20 127.80 1xm3 s ILE 182 Ca 0.05 -0.93 -0.30 0.00 -1.41 0.00 0.00 60.65 58.06 1xm3 s ILE 182 Cb -0.14 -1.82 -0.06 0.00 0.13 0.00 0.00 42.46 40.58 1xm3 s ILE 182 CO -0.10 0.49 1.50 -0.69 -1.91 0.00 0.00 174.94 174.23 1xm3 s VAL 183 N 1.31 3.59 -0.19 4.00 1.01 -0.53 -3.59 120.40 126.00 1xm3 s VAL 183 Ca 0.04 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 1xm3 s VAL 183 Cb -0.13 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1xm3 s VAL 183 CO -0.12 -0.03 -0.11 -0.62 0.00 0.00 0.00 175.10 174.22 1xm3 s ASP 184 N 2.33 3.87 0.33 3.32 3.68 -0.55 -0.53 116.67 129.12 1xm3 s ASP 184 Ca 0.67 -0.46 0.00 0.00 2.13 0.00 0.00 52.55 54.89 1xm3 s ASP 184 Cb -0.33 -1.63 0.00 0.00 -1.45 0.00 0.00 42.92 39.51 1xm3 s ASP 184 CO 0.27 0.02 0.00 0.00 0.13 0.00 0.00 175.17 175.59 1xm3 n ALA 185 N 4.51 -3.37 0.00 3.66 0.00 -0.38 -3.63 120.51 121.30 1xm3 n ALA 185 Ca -0.19 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1xm3 n ALA 185 Cb 0.51 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -3.60 1.90 3.77 0.00 0.00 -1.26 -2.65 105.19 103.36 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 -2.57 3.14 0.00 -0.61 -1.09 -1.26 -0.13 121.20 118.68 1xm3 s ILE 187 Ca 0.00 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.36 1xm3 s ILE 187 Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1xm3 s ILE 187 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1xm3 n GLY 188 N 0.60 0.00 3.81 6.18 0.00 -1.26 -4.36 105.19 110.16 1xm3 n GLY 188 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.25 -0.19 0.37 1.61 1.04 -1.26 -4.91 113.70 108.12 1xm3 s SER 189 Ca 0.00 -0.73 0.14 0.00 0.48 0.00 0.00 55.95 55.84 1xm3 s SER 189 Cb 0.00 0.72 0.98 0.00 0.10 0.00 0.00 66.02 67.82 1xm3 s SER 189 CO 0.00 -1.36 1.79 -0.65 0.98 0.00 0.00 173.24 173.99 1xm3 h PRO 190 N 2.04 0.50 -0.60 4.02 0.11 -2.00 -0.96 132.00 135.11 1xm3 h PRO 190 Ca -0.22 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.93 1xm3 h PRO 190 Cb 1.25 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1xm3 h PRO 190 CO 0.27 0.33 0.40 1.57 -0.21 0.00 0.00 178.00 180.36 1xm3 h LYS 191 N 0.52 0.56 -0.05 1.05 2.10 -1.97 0.11 116.57 118.89 1xm3 h LYS 191 Ca 0.57 -0.03 -0.16 0.00 -2.00 0.00 0.00 60.65 59.03 1xm3 h LYS 191 Cb 1.25 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 32.46 1xm3 h LYS 191 CO -0.31 0.37 -0.59 -0.44 -2.00 0.00 0.00 179.45 176.48 1xm3 h ASP 192 N 0.57 0.60 -0.54 7.07 3.32 -1.59 -1.80 116.42 124.05 1xm3 h ASP 192 Ca 0.26 -0.70 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1xm3 h ASP 192 Cb 0.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1xm3 h ASP 192 CO -0.08 1.22 0.24 0.00 -1.72 0.00 0.00 179.24 178.90 1xm3 h ALA 193 N 0.40 0.70 -0.46 3.45 0.00 -1.27 -1.55 119.26 120.53 1xm3 h ALA 193 Ca -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xm3 h ALA 193 Cb 1.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1xm3 h ALA 193 CO 0.12 0.29 0.27 0.00 0.00 0.00 0.00 179.25 179.93 1xm3 h ALA 194 N 1.08 0.59 -0.55 0.00 0.00 -0.82 -2.88 119.26 116.68 1xm3 h ALA 194 Ca 0.18 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1xm3 h ALA 194 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xm3 h ALA 194 CO -0.02 0.09 0.35 -0.92 0.00 0.00 0.00 179.25 178.75 1xm3 h TYR 195 N 0.62 0.65 0.00 0.00 3.20 -1.05 0.12 116.97 120.51 1xm3 h TYR 195 Ca 0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1xm3 h TYR 195 Cb 0.01 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1xm3 h TYR 195 CO -0.03 0.39 0.00 0.00 -1.64 0.00 0.00 178.16 176.89 1xm3 n ALA 196 N -2.27 0.76 0.00 1.82 0.00 -0.61 -0.97 120.51 119.25 1xm3 n ALA 196 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xm3 n ALA 196 Cb 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.15 0.00 0.00 0.00 1.02 0.40 -2.09 120.64 120.13 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 0.68 0.00 -0.02 0.00 0.00 31.44 32.10 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 0.00 0.00 -4.62 4.77 -0.14 -4.73 117.00 112.28 1xm3 n LEU 199 Ca 0.00 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1xm3 n LEU 199 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1xm3 n LEU 199 CO 0.00 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1xm3 n GLY 200 N 1.36 1.11 3.75 -0.72 0.00 -1.19 -4.91 105.19 104.60 1xm3 n GLY 200 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 2.40 -0.71 4.61 0.00 -0.89 -4.91 121.76 120.26 1xm3 s ALA 201 Ca 0.00 0.85 0.25 0.00 0.00 0.00 0.00 51.96 53.07 1xm3 s ALA 201 Cb 0.00 -3.42 0.59 0.00 0.00 0.00 0.00 23.12 20.29 1xm3 s ALA 201 CO 0.00 -1.38 1.54 -0.25 0.00 0.00 0.00 175.76 175.67 1xm3 n ASP 202 N -2.11 0.71 -3.70 0.00 9.92 0.52 -4.93 116.55 116.97 1xm3 n ASP 202 Ca 0.13 0.31 0.04 0.00 -0.53 0.00 0.00 54.79 54.74 1xm3 n ASP 202 Cb 0.50 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1xm3 n ASP 202 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xm3 s GLY 203 N -3.56 -0.39 0.01 0.44 0.00 -1.18 -4.81 107.32 97.82 1xm3 s GLY 203 Ca 0.09 0.65 0.03 0.00 0.00 0.00 0.00 44.72 45.48 1xm3 s GLY 203 CO 0.66 2.21 -0.09 0.14 0.00 0.00 0.00 173.10 176.01 1xm3 s VAL 204 N -2.08 0.69 -0.13 1.40 1.01 -0.67 -1.45 120.40 119.17 1xm3 s VAL 204 Ca 0.20 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xm3 s VAL 204 Cb 0.05 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1xm3 s VAL 204 CO -0.05 0.06 -0.21 -0.22 0.00 0.00 0.00 175.10 174.68 1xm3 s LEU 205 N -0.56 2.22 0.14 3.92 0.20 0.31 -0.55 118.68 124.36 1xm3 s LEU 205 Ca 0.01 -0.54 -0.01 0.00 0.69 0.00 0.00 54.13 54.28 1xm3 s LEU 205 Cb -0.05 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 1xm3 s LEU 205 CO 0.00 0.12 0.06 -1.48 -0.29 0.00 0.00 176.35 174.76 1xm3 s LEU 206 N 0.60 1.73 0.00 -0.68 0.05 -0.45 -1.24 118.68 118.68 1xm3 s LEU 206 Ca -0.11 -1.22 0.00 0.00 0.05 0.00 0.00 54.13 52.84 1xm3 s LEU 206 Cb -0.16 0.30 0.00 0.00 -2.05 0.00 0.00 46.19 44.28 1xm3 s LEU 206 CO 0.03 -0.74 0.00 -0.46 -0.55 0.00 0.00 176.35 174.63 1xm3 n ASN 207 N -0.11 0.00 0.27 1.48 0.23 -1.26 -0.74 115.26 115.13 1xm3 n ASN 207 Ca -0.05 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.13 1xm3 n ASN 207 Cb 0.64 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 39.10 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 0.59 0.00 5.53 1.35 -1.94 0.14 112.91 118.58 1xm3 h THR 208 Ca 0.00 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 1xm3 h THR 208 Cb 0.00 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1xm3 h THR 208 CO 0.00 0.09 -0.05 0.00 -0.25 0.00 0.00 175.52 175.32 1xm3 h ALA 209 N 1.90 1.48 0.00 6.62 0.00 -1.91 0.56 119.26 127.92 1xm3 h ALA 209 Ca -0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1xm3 h ALA 209 Cb 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xm3 h ALA 209 CO 0.01 0.06 -1.88 0.28 0.00 0.00 0.00 179.25 177.72 1xm3 n VAL 210 N -3.84 1.52 0.27 0.00 0.31 -0.53 -4.09 118.33 111.96 1xm3 n VAL 210 Ca -0.03 -0.16 0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1xm3 n VAL 210 Cb 0.14 -2.08 0.75 0.00 -0.91 0.00 0.00 33.84 31.74 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 0.02 4.52 4.64 -0.75 -2.57 113.55 118.40 1xm3 h SER 211 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1xm3 h SER 211 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1xm3 h SER 211 CO -0.25 0.09 -0.10 0.61 -0.87 0.00 0.00 176.83 176.32 1xm3 n GLY 212 N -0.92 0.25 3.81 -0.77 0.00 0.20 -4.56 105.19 103.20 1xm3 n GLY 212 Ca -0.02 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.13 2.51 0.35 4.61 0.00 -0.97 -4.93 121.76 121.21 1xm3 s ALA 213 Ca 0.30 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1xm3 s ALA 213 Cb 0.20 -3.17 0.66 0.00 0.00 0.00 0.00 23.12 20.81 1xm3 s ALA 213 CO 0.38 -1.42 1.95 -0.44 0.00 0.00 0.00 175.76 176.22 1xm3 h ASP 214 N -0.86 0.56 -3.33 0.00 3.32 -1.92 -3.30 116.42 110.88 1xm3 h ASP 214 Ca -0.45 -0.06 -0.62 0.00 0.02 0.00 0.00 57.03 55.92 1xm3 h ASP 214 Cb 1.23 -0.14 -0.41 0.00 0.22 0.00 0.00 39.33 40.23 1xm3 h ASP 214 CO 0.57 0.51 -0.69 -0.62 -1.72 0.00 0.00 179.24 177.30 1xm3 s ASP 215 N -6.66 3.92 0.27 6.45 -1.08 -1.26 -4.99 116.67 113.32 1xm3 s ASP 215 Ca -0.08 -3.27 -0.01 0.00 -0.52 0.00 0.00 52.55 48.67 1xm3 s ASP 215 Cb 0.16 -1.30 0.49 0.00 -1.46 0.00 0.00 42.92 40.81 1xm3 s ASP 215 CO 0.76 -0.17 1.84 -0.65 0.52 0.00 0.00 175.17 177.47 1xm3 h PRO 216 N 5.97 0.99 -0.26 4.34 0.11 -1.71 -2.72 132.00 138.72 1xm3 h PRO 216 Ca 0.08 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1xm3 h PRO 216 Cb 0.85 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1xm3 h PRO 216 CO 0.60 0.65 0.13 0.28 -0.21 0.00 0.00 178.00 179.45 1xm3 h VAL 217 N 1.01 1.14 0.00 3.15 2.07 -1.86 0.24 116.25 122.01 1xm3 h VAL 217 Ca 0.46 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1xm3 h VAL 217 Cb 0.38 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1xm3 h VAL 217 CO -0.24 0.14 0.00 1.17 0.02 0.00 0.00 177.57 178.66 1xm3 n LYS 218 N -4.82 0.30 0.00 1.57 4.81 -1.03 -2.10 118.16 116.90 1xm3 n LYS 218 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1xm3 n LYS 218 Cb 0.09 -1.33 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 0.80 0.00 -0.22 3.14 0.00 0.07 -1.21 120.51 123.10 1xm3 n ALA 220 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1xm3 n ALA 220 Cb 0.14 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.62 1xm3 n ALA 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xm3 h ARG 221 N 0.00 0.94 -0.58 0.00 3.08 -1.68 -1.64 114.38 114.50 1xm3 h ARG 221 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1xm3 h ARG 221 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1xm3 h ARG 221 CO 0.00 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.72 1xm3 n ALA 222 N -2.39 1.14 0.00 0.04 0.00 -0.35 -1.77 120.51 117.19 1xm3 n ALA 222 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xm3 n ALA 222 Cb 0.19 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.64 0.00 -0.21 0.00 4.81 -0.62 -0.83 118.16 121.96 1xm3 n LYS 224 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1xm3 n LYS 224 Cb 0.00 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.16 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 0.96 -0.36 3.14 3.38 -1.62 -2.34 115.31 118.48 1xm3 h LEU 225 Ca 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1xm3 h LEU 225 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1xm3 h LEU 225 CO 0.00 0.93 0.11 0.00 0.09 0.00 0.00 178.44 179.56 1xm3 h ALA 226 N 1.19 0.47 -0.77 1.53 0.00 -1.25 0.18 119.26 120.62 1xm3 h ALA 226 Ca 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xm3 h ALA 226 Cb 0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xm3 h ALA 226 CO 0.00 0.11 0.28 0.28 0.00 0.00 0.00 179.25 179.93 1xm3 h VAL 227 N 0.42 1.26 -0.16 0.00 2.07 -1.80 0.60 116.25 118.64 1xm3 h VAL 227 Ca 0.11 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 1xm3 h VAL 227 Cb 0.26 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1xm3 h VAL 227 CO -0.00 0.34 0.02 -0.33 0.02 0.00 0.00 177.57 177.62 1xm3 h GLU 228 N 1.13 0.26 -0.41 1.57 5.08 -1.18 -1.97 114.58 119.06 1xm3 h GLU 228 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1xm3 h GLU 228 Cb 0.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1xm3 h GLU 228 CO -0.02 0.44 0.27 0.00 -1.00 0.00 0.00 179.01 178.70 1xm3 h ALA 229 N 0.81 0.52 -0.77 3.43 0.00 -0.31 -0.90 119.26 122.04 1xm3 h ALA 229 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xm3 h ALA 229 Cb 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1xm3 h ALA 229 CO 0.00 -0.03 0.45 0.78 0.00 0.00 0.00 179.25 180.46 1xm3 h GLY 230 N 0.55 1.12 0.92 0.00 0.00 -0.86 -1.29 103.07 103.51 1xm3 h GLY 230 Ca 0.15 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 1xm3 h GLY 230 CO -0.03 0.46 0.04 -0.09 0.00 0.00 0.00 176.54 176.92 1xm3 h ARG 231 N 1.05 0.60 -0.91 4.80 9.65 -1.05 -1.65 114.38 126.86 1xm3 h ARG 231 Ca 0.27 -0.17 0.04 0.00 -1.10 0.00 0.00 59.98 59.02 1xm3 h ARG 231 Cb -0.02 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.44 1xm3 h ARG 231 CO -0.05 0.68 0.59 -0.07 2.80 0.00 0.00 179.97 183.92 1xm3 h LEU 232 N 0.43 0.97 -0.52 3.80 4.07 -0.93 -1.73 115.31 121.40 1xm3 h LEU 232 Ca 0.11 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 1xm3 h LEU 232 Cb 0.38 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1xm3 h LEU 232 CO 0.01 0.66 0.14 -1.28 -1.08 0.00 0.00 178.44 176.90 1xm3 h SER 233 N 1.13 0.78 -0.60 -0.43 0.87 -1.03 0.23 113.55 114.49 1xm3 h SER 233 Ca 0.36 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 1xm3 h SER 233 Cb 0.02 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 61.73 1xm3 h SER 233 CO -0.13 0.80 0.33 0.22 -0.53 0.00 0.00 176.83 177.52 1xm3 h TYR 234 N 0.73 0.60 -0.09 2.24 3.20 -0.66 -2.33 116.97 120.66 1xm3 h TYR 234 Ca 0.17 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.89 1xm3 h TYR 234 Cb 0.31 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1xm3 h TYR 234 CO 0.02 0.30 -0.67 0.93 -1.64 0.00 0.00 178.16 177.10 1xm3 h GLU 235 N 0.62 0.36 0.00 1.82 5.08 -1.02 -3.27 114.58 118.18 1xm3 h GLU 235 Ca 0.26 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xm3 h GLU 235 Cb 0.15 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xm3 h GLU 235 CO -0.16 0.90 0.00 0.00 -1.00 0.00 0.00 179.01 178.75 1xm3 n ALA 236 N -2.50 1.81 -1.96 3.43 0.00 0.77 -4.97 120.51 117.09 1xm3 n ALA 236 Ca -0.03 0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1xm3 n ALA 236 Cb 0.67 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.32 -0.88 3.69 0.00 0.00 -1.01 -5.02 105.19 102.29 1xm3 n GLY 237 Ca 0.03 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.67 1.31 0.61 1.61 1.70 -1.25 -4.99 118.95 116.28 1xm3 s ARG 238 Ca 0.08 1.51 -0.17 0.00 -0.47 0.00 0.00 55.73 56.67 1xm3 s ARG 238 Cb -0.02 -1.76 -0.02 0.00 -0.57 0.00 0.00 34.95 32.57 1xm3 s ARG 238 CO 0.26 -2.41 1.12 0.96 -1.08 0.00 0.00 175.30 174.16 1xm3 s ILE 239 N -2.64 3.16 1.05 4.99 -4.36 -1.26 -5.03 121.20 117.11 1xm3 s ILE 239 Ca 0.66 0.62 -0.16 0.00 -0.26 0.00 0.00 60.65 61.51 1xm3 s ILE 239 Cb -0.22 -3.17 0.22 0.00 1.25 0.00 0.00 42.46 40.54 1xm3 s ILE 239 CO 0.57 -0.26 1.19 -2.16 0.24 0.00 0.00 174.94 174.52 1xm3 s PRO 240 N -3.73 -0.03 -0.24 0.37 0.04 -1.26 -5.01 135.00 125.14 1xm3 s PRO 240 Ca 0.70 -0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.47 1xm3 s PRO 240 Cb -0.23 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1xm3 s PRO 240 CO 0.35 -2.92 0.55 -0.51 0.04 0.00 0.00 177.00 174.52 1xm3 s LEU 241 N -6.38 4.08 0.29 -3.56 1.02 -1.26 -5.03 118.68 107.84 1xm3 s LEU 241 Ca 0.70 0.62 -0.29 0.00 0.02 0.00 0.00 54.13 55.18 1xm3 s LEU 241 Cb -0.09 -2.73 -0.10 0.00 0.02 0.00 0.00 46.19 43.28 1xm3 s LEU 241 CO 0.54 -0.28 1.36 -0.75 0.02 0.00 0.00 176.35 177.24 1xm3 s LYS 242 N 2.17 4.33 -0.23 1.70 2.20 -1.26 -4.99 119.74 123.65 1xm3 s LYS 242 Ca 0.23 2.23 -0.07 0.00 -0.36 0.00 0.00 55.97 58.00 1xm3 s LYS 242 Cb -0.16 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 1xm3 s LYS 242 CO 0.09 -0.28 0.07 -1.14 -0.36 0.00 0.00 175.35 173.73 1xm3 s GLN 243 N -1.08 3.71 0.01 4.03 2.00 -1.26 -4.95 119.66 122.12 1xm3 s GLN 243 Ca 0.54 -0.46 0.22 0.00 -2.00 0.00 0.00 55.36 53.66 1xm3 s GLN 243 Cb -0.40 -3.29 -0.12 0.00 0.80 0.00 0.00 33.01 30.00 1xm3 s GLN 243 CO 0.48 -0.09 0.90 0.66 -0.50 0.00 0.00 175.29 176.73 1xm3 n TYR 244 N 4.63 0.06 -2.77 1.67 4.02 -1.26 -4.99 117.16 118.53 1xm3 n TYR 244 Ca -0.16 0.02 -0.13 0.00 -0.01 0.00 0.00 57.90 57.62 1xm3 n TYR 244 Cb 0.52 -0.22 0.02 0.00 -0.02 0.00 0.00 39.34 39.65 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 1.43 0.04 3.96 2.72 0.00 -1.26 -5.03 105.19 107.04 1xm3 n GLY 245 Ca 0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.95 3.05 0.49 2.61 -4.23 -1.26 -4.97 115.64 108.38 1xm3 s THR 246 Ca 0.20 -0.56 0.39 0.00 -1.18 0.00 0.00 61.69 60.53 1xm3 s THR 246 Cb -0.09 -3.15 0.41 0.00 1.34 0.00 0.00 72.50 71.01 1xm3 s THR 246 CO 0.25 -0.11 2.24 0.00 -0.54 0.00 0.00 174.62 176.45 1xm3 h ALA 247 N 0.10 1.08 0.00 3.99 0.00 -2.02 -0.80 119.26 121.61 1xm3 h ALA 247 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 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 0.54 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 1xm3 n SER 248 N -3.22 0.00 -3.28 0.00 3.41 -1.26 -3.72 113.62 105.55 1xm3 n SER 248 Ca -0.02 -0.68 -0.25 0.00 -0.26 0.00 0.00 58.87 57.66 1xm3 n SER 248 Cb 0.15 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.00 0.71 0.00 4.04 7.64 -0.31 -5.17 113.62 119.53 1xm3 n SER 249 Ca 0.16 -2.78 0.04 0.00 1.01 0.00 0.00 58.87 57.31 1xm3 n SER 249 Cb 0.08 -0.64 0.22 0.00 -1.01 0.00 0.00 64.21 62.86 1xm3 n SER 249 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22