#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xuv s PRO 12 N 0.00 4.19 -0.56 3.52 0.04 -1.26 -4.92 135.00 136.01 1xuv s PRO 12 Ca 0.00 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1xuv s PRO 12 Cb 0.00 -2.46 0.15 0.00 0.04 0.00 0.00 34.50 32.22 1xuv s PRO 12 CO 0.00 -0.10 0.44 0.99 0.04 0.00 0.00 177.00 178.37 1xuv s THR 13 N -1.78 4.33 -0.06 1.26 2.01 -1.26 -4.43 115.64 115.70 1xuv s THR 13 Ca 0.59 -2.16 -0.28 0.00 0.31 0.00 0.00 61.69 60.15 1xuv s THR 13 Cb -0.19 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1xuv s THR 13 CO 0.24 -0.84 0.91 -0.13 -0.69 0.00 0.00 174.62 174.11 1xuv s ARG 14 N 0.85 4.46 -0.14 4.92 0.52 -0.76 -4.93 118.95 123.88 1xuv s ARG 14 Ca 0.10 1.25 0.01 0.00 -0.52 0.00 0.00 55.73 56.57 1xuv s ARG 14 Cb -0.22 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 31.77 1xuv s ARG 14 CO -0.03 -0.13 -0.15 0.42 0.02 0.00 0.00 175.30 175.43 1xuv s ILE 15 N 1.38 1.58 -0.26 1.52 1.01 -1.26 -0.77 121.20 124.40 1xuv s ILE 15 Ca 0.46 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1xuv s ILE 15 Cb -0.19 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1xuv s ILE 15 CO 0.21 0.46 0.07 -0.89 0.00 0.00 0.00 174.94 174.79 1xuv s THR 16 N 1.36 4.18 -0.39 2.92 2.01 0.16 -4.98 115.64 120.90 1xuv s THR 16 Ca 0.02 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.79 1xuv s THR 16 Cb -0.13 -3.00 0.28 0.00 0.01 0.00 0.00 72.50 69.65 1xuv s THR 16 CO -0.09 0.27 0.59 0.00 -0.69 0.00 0.00 174.62 174.71 1xuv n ALA 17 N 4.91 2.32 -1.64 7.40 0.00 -1.26 -0.98 120.51 131.25 1xuv n ALA 17 Ca -0.16 -3.41 -0.46 0.00 0.00 0.00 0.00 53.44 49.41 1xuv n ALA 17 Cb 0.50 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1xuv n ALA 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xuv n GLU 18 N 1.05 1.74 -2.12 0.00 1.02 -1.26 -4.91 120.64 116.16 1xuv n GLU 18 Ca 0.22 0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 57.57 1xuv n GLU 18 Cb 0.57 -2.20 -0.02 0.00 -0.02 0.00 0.00 31.44 29.77 1xuv n GLU 18 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1xuv s PRO 19 N -0.62 4.35 0.00 3.49 0.04 -1.26 -2.54 135.00 138.46 1xuv s PRO 19 Ca 0.68 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1xuv s PRO 19 Cb -0.70 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1xuv s PRO 19 CO 0.52 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1xuv n GLY 20 N 1.12 0.88 3.69 0.56 0.00 -1.26 -5.05 105.19 105.12 1xuv n GLY 20 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1xuv n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xuv s LYS 21 N -0.66 2.62 -0.65 1.61 1.02 -1.05 -4.98 119.74 117.65 1xuv s LYS 21 Ca 0.00 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.19 1xuv s LYS 21 Cb 0.00 -2.58 0.46 0.00 -0.52 0.00 0.00 37.83 35.19 1xuv s LYS 21 CO 0.00 0.56 2.02 0.00 -0.92 0.00 0.00 175.35 177.01 1xuv n GLN 22 N 0.71 2.68 -4.04 1.68 10.64 -1.26 -4.70 117.38 123.08 1xuv n GLN 22 Ca -0.11 -3.29 -0.10 0.00 -1.83 0.00 0.00 57.00 51.67 1xuv n GLN 22 Cb 0.52 -2.28 -0.07 0.00 -0.86 0.00 0.00 30.24 27.54 1xuv n GLN 22 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 1xuv s GLU 23 N -3.80 1.28 -0.11 2.61 -1.05 -1.26 -0.80 118.70 115.58 1xuv s GLU 23 Ca 0.64 -1.32 -0.05 0.00 -0.15 0.00 0.00 54.97 54.09 1xuv s GLU 23 Cb 0.51 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 34.62 1xuv s GLU 23 CO -0.00 -0.48 0.25 0.42 0.95 0.00 0.00 175.26 176.40 1xuv s ILE 24 N -4.03 -0.08 -0.09 1.83 1.01 0.30 -4.63 121.20 115.51 1xuv s ILE 24 Ca 0.24 0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.08 1xuv s ILE 24 Cb 0.03 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1xuv s ILE 24 CO 0.06 0.07 -0.18 -0.63 0.00 0.00 0.00 174.94 174.26 1xuv s ILE 25 N 1.38 2.68 -0.06 2.92 1.01 -0.15 -0.56 121.20 128.43 1xuv s ILE 25 Ca -0.08 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.77 1xuv s ILE 25 Cb -0.11 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1xuv s ILE 25 CO -0.09 0.56 -0.12 -0.63 0.00 0.00 0.00 174.94 174.66 1xuv s ILE 26 N -0.03 1.11 0.07 2.92 1.01 0.02 0.36 121.20 126.67 1xuv s ILE 26 Ca -0.05 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.22 1xuv s ILE 26 Cb -0.14 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1xuv s ILE 26 CO 0.04 0.35 -0.26 0.42 0.00 0.00 0.00 174.94 175.49 1xuv s THR 27 N 0.62 2.21 -0.28 2.92 -4.23 0.05 -0.20 115.64 116.74 1xuv s THR 27 Ca -0.13 -1.51 -0.20 0.00 -1.18 0.00 0.00 61.69 58.67 1xuv s THR 27 Cb -0.15 -1.91 0.11 0.00 1.34 0.00 0.00 72.50 71.89 1xuv s THR 27 CO 0.03 0.27 0.85 -0.60 -0.54 0.00 0.00 174.62 174.64 1xuv s ARG 28 N -1.53 0.59 0.20 3.99 3.00 -0.21 -1.82 118.95 123.17 1xuv s ARG 28 Ca 0.13 0.88 0.04 0.00 -1.00 0.00 0.00 55.73 55.78 1xuv s ARG 28 Cb -0.10 0.20 -0.03 0.00 0.00 0.00 0.00 34.95 35.01 1xuv s ARG 28 CO 0.04 -0.10 0.33 -1.21 0.00 0.00 0.00 175.30 174.35 1xuv s GLU 29 N 1.00 3.43 0.02 5.12 2.02 -1.26 0.15 118.70 129.18 1xuv s GLU 29 Ca -0.05 -0.70 0.02 0.00 0.02 0.00 0.00 54.97 54.26 1xuv s GLU 29 Cb -0.05 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 1xuv s GLU 29 CO -0.12 0.47 -0.07 -0.06 0.02 0.00 0.00 175.26 175.50 1xuv s PHE 30 N -1.89 0.59 -1.27 1.61 0.08 0.70 -4.87 117.98 112.93 1xuv s PHE 30 Ca 0.34 -0.33 -0.06 0.00 0.12 0.00 0.00 56.93 57.00 1xuv s PHE 30 Cb -0.10 -0.36 0.08 0.00 -0.57 0.00 0.00 43.02 42.07 1xuv s PHE 30 CO 0.29 -0.05 2.51 -0.25 -0.10 0.00 0.00 175.22 177.61 1xuv n ASP 31 N 2.06 7.99 -3.49 1.36 8.00 -1.26 -1.61 116.55 129.60 1xuv n ASP 31 Ca -0.19 -3.07 -0.12 0.00 0.71 0.00 0.00 54.79 52.12 1xuv n ASP 31 Cb 0.56 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.25 1xuv n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xuv s ALA 32 N -0.75 -1.75 0.44 2.24 0.00 -1.25 -4.98 121.76 115.71 1xuv s ALA 32 Ca 0.57 0.98 -0.25 0.00 0.00 0.00 0.00 51.96 53.26 1xuv s ALA 32 Cb 0.20 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.58 1xuv s ALA 32 CO -0.10 -0.59 1.28 -1.25 0.00 0.00 0.00 175.76 175.09 1xuv s PRO 33 N -2.62 3.79 0.66 0.00 0.04 -0.76 -2.47 135.00 133.64 1xuv s PRO 33 Ca -0.01 2.07 0.36 0.00 0.04 0.00 0.00 61.00 63.46 1xuv s PRO 33 Cb -0.01 -2.59 1.94 0.00 0.04 0.00 0.00 34.50 33.88 1xuv s PRO 33 CO -0.05 -0.61 2.10 0.07 0.04 0.00 0.00 177.00 178.55 1xuv h ARG 34 N 2.34 0.00 -0.71 4.56 0.11 -1.85 0.27 114.38 119.09 1xuv h ARG 34 Ca -0.50 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.52 1xuv h ARG 34 Cb 1.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.30 1xuv h ARG 34 CO 0.61 0.00 0.21 0.93 0.10 0.00 0.00 179.97 181.82 1xuv h GLU 35 N 0.00 1.12 -0.06 0.08 4.39 -1.91 0.27 114.58 118.47 1xuv h GLU 35 Ca 0.01 -0.25 -0.16 0.00 0.34 0.00 0.00 59.36 59.30 1xuv h GLU 35 Cb 0.41 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1xuv h GLU 35 CO -0.00 0.96 -0.57 -0.07 -1.16 0.00 0.00 179.01 178.17 1xuv h LEU 36 N 1.06 0.60 -0.28 1.33 4.07 -1.31 -2.30 115.31 118.47 1xuv h LEU 36 Ca 0.23 -0.69 -0.01 0.00 0.08 0.00 0.00 57.88 57.48 1xuv h LEU 36 Cb 0.32 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1xuv h LEU 36 CO -0.00 1.20 0.13 0.58 -1.08 0.00 0.00 178.44 179.27 1xuv h VAL 37 N 0.05 1.16 -0.79 1.22 2.07 -1.29 -1.76 116.25 116.90 1xuv h VAL 37 Ca -0.06 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1xuv h VAL 37 Cb 1.24 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1xuv h VAL 37 CO 0.12 0.16 0.49 0.15 0.02 0.00 0.00 177.57 178.50 1xuv h PHE 38 N 0.32 0.90 -0.94 1.57 3.04 -0.52 -1.01 116.94 120.29 1xuv h PHE 38 Ca 0.10 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1xuv h PHE 38 Cb 0.13 -0.29 -0.05 0.00 2.56 0.00 0.00 35.95 38.31 1xuv h PHE 38 CO -0.02 0.47 0.63 -0.22 -2.02 0.00 0.00 178.31 177.14 1xuv h LYS 39 N 0.90 1.24 0.00 1.11 3.64 -0.95 -0.65 116.57 121.87 1xuv h LYS 39 Ca 0.34 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1xuv h LYS 39 Cb 0.14 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1xuv h LYS 39 CO -0.16 0.82 -0.00 0.00 -2.27 0.00 0.00 179.45 177.84 1xuv h ALA 40 N 1.41 1.56 0.00 5.00 0.00 -0.32 0.80 119.26 127.72 1xuv h ALA 40 Ca 0.35 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.06 1xuv h ALA 40 Cb -0.14 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1xuv h ALA 40 CO -0.08 0.00 -1.25 0.74 0.00 0.00 0.00 179.25 178.67 1xuv h PHE 41 N 0.00 0.00 0.00 0.00 -1.00 -0.86 -3.15 116.94 111.93 1xuv h PHE 41 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xuv h PHE 41 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1xuv h PHE 41 CO 0.00 0.76 -0.57 0.25 -1.61 0.00 0.00 178.31 177.13 1xuv n THR 42 N -3.08 0.00 -3.22 -1.55 -2.24 -0.72 -4.89 114.28 98.58 1xuv n THR 42 Ca -0.08 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1xuv n THR 42 Cb 0.90 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 70.05 1xuv n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xuv s ASP 43 N -2.14 6.28 0.24 3.42 -1.08 0.20 -4.76 116.67 118.83 1xuv s ASP 43 Ca 0.05 -0.32 -0.11 0.00 -0.52 0.00 0.00 52.55 51.65 1xuv s ASP 43 Cb 0.09 -2.27 0.34 0.00 -1.46 0.00 0.00 42.92 39.62 1xuv s ASP 43 CO 0.50 -0.60 1.59 -0.65 0.52 0.00 0.00 175.17 176.53 1xuv h PRO 44 N 8.67 -0.00 0.00 4.34 0.11 -1.91 0.20 132.00 143.42 1xuv h PRO 44 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xuv h PRO 44 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xuv h PRO 44 CO 0.82 -0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.36 1xuv n ASP 45 N -5.53 0.55 -0.12 -2.05 8.00 -1.26 -3.07 116.55 113.08 1xuv n ASP 45 Ca 0.12 0.66 -0.17 0.00 0.71 0.00 0.00 54.79 56.11 1xuv n ASP 45 Cb 0.41 -0.77 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 1xuv n ASP 45 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xuv n LEU 46 N -2.14 2.97 -0.19 0.64 4.77 0.52 -4.55 117.00 119.02 1xuv n LEU 46 Ca 0.01 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1xuv n LEU 46 Cb 0.17 -0.83 0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1xuv n LEU 46 CO 0.16 0.90 0.87 0.22 -1.33 0.00 0.00 177.39 178.21 1xuv h TYR 47 N 0.00 0.06 0.00 -1.77 3.20 -0.95 -0.80 116.97 116.71 1xuv h TYR 47 Ca -0.53 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1xuv h TYR 47 Cb 1.83 0.07 0.00 0.00 1.54 0.00 0.00 36.73 40.17 1xuv h TYR 47 CO 0.03 -0.10 0.00 0.25 -1.64 0.00 0.00 178.16 176.69 1xuv n THR 48 N -5.21 0.97 0.86 1.81 -2.24 -1.22 -2.08 114.28 107.16 1xuv n THR 48 Ca 0.08 0.37 0.13 0.00 -2.27 0.00 0.00 64.05 62.36 1xuv n THR 48 Cb 0.33 -1.31 0.38 0.00 -2.10 0.00 0.00 70.33 67.63 1xuv n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xuv n GLN 49 N -2.12 0.10 0.00 -0.78 6.02 -0.31 -4.36 117.38 115.93 1xuv n GLN 49 Ca 0.01 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1xuv n GLN 49 Cb 0.16 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.84 1xuv n GLN 49 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1xuv n TRP 50 N -1.73 0.00 -1.75 1.08 4.27 -1.11 -4.87 117.44 113.33 1xuv n TRP 50 Ca 0.06 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.33 1xuv n TRP 50 Cb 0.37 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.37 1xuv n TRP 50 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1xuv s ILE 51 N -0.95 2.92 0.06 -1.67 1.10 -0.89 -4.36 121.20 117.41 1xuv s ILE 51 Ca 0.00 0.46 0.00 0.00 -0.51 0.00 0.00 60.65 60.60 1xuv s ILE 51 Cb 0.00 -3.02 0.00 0.00 0.15 0.00 0.00 42.46 39.59 1xuv s ILE 51 CO 0.00 -0.23 0.00 0.61 -2.11 0.00 0.00 174.94 173.21 1xuv n GLY 52 N -0.09 -2.73 3.76 1.50 0.00 -1.26 -4.88 105.19 101.49 1xuv n GLY 52 Ca 0.12 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 1xuv n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xuv s PRO 53 N -3.29 2.50 0.35 1.61 0.04 -1.26 -4.08 135.00 130.88 1xuv s PRO 53 Ca 0.00 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 1xuv s PRO 53 Cb 0.00 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 1xuv s PRO 53 CO 0.00 -1.47 0.92 -2.13 0.04 0.00 0.00 177.00 174.35 1xuv n ARG 54 N -2.88 1.18 -0.76 4.56 3.00 -1.26 -1.67 116.66 118.82 1xuv n ARG 54 Ca 0.10 0.42 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 1xuv n ARG 54 Cb 0.52 -1.83 0.00 0.00 0.00 0.00 0.00 32.46 31.15 1xuv n ARG 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xuv n GLY 55 N 1.32 1.17 3.89 5.14 0.00 -1.26 -4.95 105.19 110.50 1xuv n GLY 55 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1xuv n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xuv s PHE 56 N -3.64 3.47 -0.08 1.61 0.40 -0.67 -2.62 117.98 116.46 1xuv s PHE 56 Ca 0.00 0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1xuv s PHE 56 Cb 0.00 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1xuv s PHE 56 CO 0.00 0.60 -0.13 0.99 0.70 0.00 0.00 175.22 177.38 1xuv s THR 57 N -1.40 3.11 -0.12 0.64 2.01 0.31 -4.92 115.64 115.28 1xuv s THR 57 Ca 0.30 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1xuv s THR 57 Cb -0.13 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.15 1xuv s THR 57 CO 0.22 0.57 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.64 1xuv s THR 58 N -0.40 1.81 -0.10 -0.82 2.01 -1.26 0.63 115.64 117.51 1xuv s THR 58 Ca 0.05 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1xuv s THR 58 Cb -0.12 -1.61 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 1xuv s THR 58 CO 0.02 0.50 -0.23 0.00 -0.69 0.00 0.00 174.62 174.22 1xuv s ALA 59 N 0.79 2.22 0.14 7.40 0.00 -0.29 -4.87 121.76 127.14 1xuv s ALA 59 Ca -0.09 -0.97 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 1xuv s ALA 59 Cb -0.16 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.06 1xuv s ALA 59 CO 0.00 0.30 0.65 -0.51 0.00 0.00 0.00 175.76 176.20 1xuv s LEU 60 N 0.27 4.48 -0.13 0.00 1.43 -1.26 -1.16 118.68 122.30 1xuv s LEU 60 Ca -0.16 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.35 1xuv s LEU 60 Cb -0.17 -3.19 -0.11 0.00 0.03 0.00 0.00 46.19 42.74 1xuv s LEU 60 CO 0.08 0.18 -0.07 0.29 0.23 0.00 0.00 176.35 177.07 1xuv n LYS 61 N 1.34 1.03 -3.75 1.70 4.76 0.76 -4.97 118.16 119.03 1xuv n LYS 61 Ca -0.07 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.29 1xuv n LYS 61 Cb 0.50 -1.29 -0.11 0.00 -1.84 0.00 0.00 35.03 32.29 1xuv n LYS 61 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xuv s ILE 62 N -2.29 -0.00 -0.29 -0.18 -1.09 -0.99 -4.95 121.20 111.42 1xuv s ILE 62 Ca -0.14 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 1xuv s ILE 62 Cb 0.04 -0.50 0.18 0.00 -1.58 0.00 0.00 42.46 40.60 1xuv s ILE 62 CO 0.39 0.00 0.48 0.12 -1.23 0.00 0.00 174.94 174.70 1xuv s PHE 63 N 0.23 -1.35 -0.51 3.97 5.36 -1.25 -0.52 117.98 123.92 1xuv s PHE 63 Ca -0.00 0.69 0.03 0.00 -0.96 0.00 0.00 56.93 56.69 1xuv s PHE 63 Cb -0.03 0.06 0.14 0.00 -0.34 0.00 0.00 43.02 42.85 1xuv s PHE 63 CO 0.00 -1.01 0.28 -1.21 -1.46 0.00 0.00 175.22 171.82 1xuv s GLU 64 N 2.67 1.76 -1.13 10.12 2.02 -0.53 -5.01 118.70 128.60 1xuv s GLU 64 Ca 0.10 -2.48 -0.08 0.00 0.02 0.00 0.00 54.97 52.54 1xuv s GLU 64 Cb -0.12 -2.93 -0.07 0.00 0.10 0.00 0.00 34.13 31.11 1xuv s GLU 64 CO -0.28 -1.16 2.34 -0.35 0.02 0.00 0.00 175.26 175.84 1xuv n PRO 65 N 3.12 2.53 -3.82 0.39 -0.04 -1.26 -4.18 135.00 131.74 1xuv n PRO 65 Ca 0.09 -1.73 -0.10 0.00 -0.04 0.00 0.00 63.50 61.72 1xuv n PRO 65 Cb 0.34 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.13 1xuv n PRO 65 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1xuv s LYS 66 N 3.16 1.11 0.15 0.54 -2.85 -1.26 -4.91 119.74 115.68 1xuv s LYS 66 Ca 0.49 -0.96 -0.34 0.00 -1.00 0.00 0.00 55.97 54.16 1xuv s LYS 66 Cb 0.13 0.42 -0.15 0.00 -2.06 0.00 0.00 37.83 36.17 1xuv s LYS 66 CO -0.03 -0.42 1.49 0.09 0.10 0.00 0.00 175.35 176.57 1xuv n ASN 67 N -0.21 2.63 0.00 0.03 4.13 -1.26 -0.19 115.26 120.40 1xuv n ASN 67 Ca -0.12 1.10 0.00 0.00 1.68 0.00 0.00 54.58 57.24 1xuv n ASN 67 Cb 0.63 -1.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 1xuv n ASN 67 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xuv n GLY 68 N 3.02 0.79 3.85 7.41 0.00 0.33 -5.02 105.19 115.57 1xuv n GLY 68 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1xuv n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xuv s GLY 69 N -2.00 2.06 0.23 -0.02 0.00 0.74 -4.80 107.32 103.53 1xuv s GLY 69 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 44.72 44.83 1xuv s GLY 69 CO 0.00 0.27 0.15 -0.56 0.00 0.00 0.00 173.10 172.97 1xuv s SER 70 N -2.97 5.39 0.03 1.64 0.01 -1.26 0.36 113.70 116.89 1xuv s SER 70 Ca 0.56 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.50 1xuv s SER 70 Cb -0.10 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 1xuv s SER 70 CO 0.29 -0.00 0.08 -1.66 0.41 0.00 0.00 173.24 172.36 1xuv s TRP 71 N -2.04 0.19 -0.29 2.43 1.48 -0.41 -1.45 118.94 118.84 1xuv s TRP 71 Ca 0.32 -0.45 -0.15 0.00 -1.06 0.00 0.00 56.10 54.75 1xuv s TRP 71 Cb -0.08 -0.14 0.12 0.00 -1.16 0.00 0.00 33.47 32.21 1xuv s TRP 71 CO 0.24 -0.32 0.83 -1.14 -4.06 0.00 0.00 176.95 172.49 1xuv s GLN 72 N -2.23 0.51 0.09 3.25 0.74 0.33 -1.64 119.66 120.71 1xuv s GLN 72 Ca -0.08 0.98 -0.03 0.00 0.05 0.00 0.00 55.36 56.28 1xuv s GLN 72 Cb -0.03 0.25 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 1xuv s GLN 72 CO -0.03 -0.12 0.05 1.52 -0.55 0.00 0.00 175.29 176.16 1xuv s TYR 73 N 1.79 0.56 -0.09 1.67 1.13 -0.65 -0.17 117.35 121.59 1xuv s TYR 73 Ca -0.08 -1.02 0.02 0.00 -1.41 0.00 0.00 57.07 54.58 1xuv s TYR 73 Cb -0.06 -0.34 0.01 0.00 -1.10 0.00 0.00 41.96 40.47 1xuv s TYR 73 CO -0.18 -0.47 -0.16 0.42 -2.51 0.00 0.00 175.55 172.65 1xuv s ILE 74 N -3.95 1.46 0.07 -3.49 1.01 -0.31 -1.34 121.20 114.65 1xuv s ILE 74 Ca 0.13 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1xuv s ILE 74 Cb 0.07 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1xuv s ILE 74 CO -0.06 0.43 0.01 -1.10 0.00 0.00 0.00 174.94 174.22 1xuv s GLN 75 N 0.71 2.66 -0.07 2.79 -0.21 0.28 -1.14 119.66 124.68 1xuv s GLN 75 Ca -0.13 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 54.54 1xuv s GLN 75 Cb -0.16 -2.60 -0.00 0.00 1.00 0.00 0.00 33.01 31.25 1xuv s GLN 75 CO 0.03 0.56 -0.21 0.15 -2.12 0.00 0.00 175.29 173.71 1xuv s LYS 76 N -2.14 2.40 0.78 2.91 3.01 0.21 -0.69 119.74 126.22 1xuv s LYS 76 Ca 0.25 -0.75 -0.12 0.00 -1.01 0.00 0.00 55.97 54.34 1xuv s LYS 76 Cb -0.12 -1.94 0.06 0.00 -1.01 0.00 0.00 37.83 34.82 1xuv s LYS 76 CO 0.17 0.23 1.12 0.16 0.51 0.00 0.00 175.35 177.54 1xuv s ASP 77 N 0.18 4.71 0.00 2.83 -4.77 -0.66 -0.53 116.67 118.44 1xuv s ASP 77 Ca -0.11 1.06 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 1xuv s ASP 77 Cb -0.15 -1.73 0.00 0.00 -1.09 0.00 0.00 42.92 39.95 1xuv s ASP 77 CO 0.05 -1.80 0.75 -0.81 0.70 0.00 0.00 175.17 174.06 1xuv n PRO 78 N -3.29 0.40 0.00 2.11 -0.04 -1.08 -2.47 135.00 130.64 1xuv n PRO 78 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1xuv n PRO 78 Cb 0.58 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1xuv n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xuv n GLU 79 N 1.64 0.00 0.00 0.54 1.02 -1.26 -5.06 120.64 117.53 1xuv n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xuv n GLU 79 Cb 0.20 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 1xuv n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xuv n GLY 80 N 0.16 0.73 3.77 0.62 0.00 -1.03 -5.13 105.19 104.31 1xuv n GLY 80 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xuv n GLY 80 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xuv s ASN 81 N 0.00 6.50 0.05 1.61 0.01 -1.26 -4.79 114.94 117.05 1xuv s ASN 81 Ca 0.00 2.84 0.05 0.00 -0.71 0.00 0.00 52.86 55.04 1xuv s ASN 81 Cb 0.00 -2.66 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1xuv s ASN 81 CO 0.00 -0.74 -0.08 -1.61 -1.51 0.00 0.00 177.10 173.16 1xuv s GLU 82 N -2.00 2.40 -0.17 -0.60 2.02 -1.26 -1.65 118.70 117.44 1xuv s GLU 82 Ca 0.52 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 1xuv s GLU 82 Cb -0.42 -2.43 0.05 0.00 0.10 0.00 0.00 34.13 31.43 1xuv s GLU 82 CO 0.57 0.56 0.01 0.71 0.02 0.00 0.00 175.26 177.13 1xuv s TYR 83 N -1.09 1.09 -0.12 1.61 2.02 0.14 -4.96 117.35 116.03 1xuv s TYR 83 Ca 0.19 -0.78 -0.06 0.00 -0.37 0.00 0.00 57.07 56.05 1xuv s TYR 83 Cb -0.11 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 1xuv s TYR 83 CO 0.11 -0.56 0.11 0.00 -1.57 0.00 0.00 175.55 173.64 1xuv s ALA 84 N 1.84 3.74 0.04 3.71 0.00 -1.26 -0.55 121.76 129.27 1xuv s ALA 84 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1xuv s ALA 84 Cb -0.16 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 1xuv s ALA 84 CO -0.07 0.57 -0.05 -0.06 0.00 0.00 0.00 175.76 176.15 1xuv s PHE 85 N -0.86 0.46 0.17 0.00 0.08 -0.45 -0.77 117.98 116.62 1xuv s PHE 85 Ca 0.14 -0.63 -0.18 0.00 0.12 0.00 0.00 56.93 56.37 1xuv s PHE 85 Cb -0.12 -0.31 0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1xuv s PHE 85 CO 0.03 -0.19 0.52 -3.38 -0.10 0.00 0.00 175.22 172.10 1xuv s HIS 86 N -1.98 -0.23 0.04 0.36 -3.43 -0.64 -1.64 115.29 107.77 1xuv s HIS 86 Ca -0.09 -0.08 -0.14 0.00 -0.80 0.00 0.00 55.06 53.96 1xuv s HIS 86 Cb -0.06 0.41 0.05 0.00 -1.43 0.00 0.00 32.58 31.54 1xuv s HIS 86 CO -0.02 -0.86 0.65 0.41 -2.00 0.00 0.00 174.74 172.91 1xuv n GLY 87 N -0.32 0.65 3.01 -1.38 0.00 -0.65 -0.54 105.19 105.96 1xuv n GLY 87 Ca -0.13 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.72 1xuv n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xuv s VAL 88 N -2.18 0.60 -0.24 1.61 -7.23 -1.25 -1.29 120.40 110.42 1xuv s VAL 88 Ca 0.15 -0.41 -0.23 0.00 -1.81 0.00 0.00 61.98 59.67 1xuv s VAL 88 Cb -0.01 -0.52 -0.01 0.00 0.56 0.00 0.00 36.38 36.40 1xuv s VAL 88 CO 0.01 0.11 0.77 0.20 -0.31 0.00 0.00 175.10 175.88 1xuv s ASN 89 N -0.34 6.77 -0.00 4.85 0.01 0.16 -1.01 114.94 125.38 1xuv s ASN 89 Ca 0.02 0.95 -0.19 0.00 -0.71 0.00 0.00 52.86 52.93 1xuv s ASN 89 Cb -0.04 -2.41 -0.29 0.00 0.41 0.00 0.00 41.25 38.92 1xuv s ASN 89 CO -0.00 -0.46 1.01 -0.74 -1.51 0.00 0.00 177.10 175.39 1xuv h HIS 90 N 7.70 0.73 -2.72 2.20 -0.00 0.91 0.95 115.15 124.92 1xuv h HIS 90 Ca -0.25 -0.48 -0.12 0.00 -0.00 0.00 0.00 60.37 59.53 1xuv h HIS 90 Cb 1.10 -0.05 -0.25 0.00 -0.00 0.00 0.00 27.41 28.21 1xuv h HIS 90 CO 0.75 1.34 -0.27 0.34 -0.00 0.00 0.00 177.93 180.09 1xuv s ASP 91 N -7.10 -0.46 -0.24 3.26 2.15 -0.51 -4.11 116.67 109.67 1xuv s ASP 91 Ca -0.12 0.84 -0.03 0.00 0.43 0.00 0.00 52.55 53.67 1xuv s ASP 91 Cb 0.03 0.79 0.08 0.00 -0.30 0.00 0.00 42.92 43.52 1xuv s ASP 91 CO 0.87 -0.16 0.07 -0.69 -0.17 0.00 0.00 175.17 175.09 1xuv s VAL 92 N 0.72 0.49 -0.26 1.11 1.01 -1.26 0.07 120.40 122.28 1xuv s VAL 92 Ca -0.04 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1xuv s VAL 92 Cb -0.05 -1.19 0.07 0.00 0.00 0.00 0.00 36.38 35.21 1xuv s VAL 92 CO -0.05 -0.45 -0.01 -0.89 0.00 0.00 0.00 175.10 173.70 1xuv s THR 93 N 1.84 1.55 0.05 3.92 2.01 -0.57 -4.56 115.64 119.89 1xuv s THR 93 Ca 0.04 -1.44 -0.30 0.00 0.31 0.00 0.00 61.69 60.30 1xuv s THR 93 Cb -0.17 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1xuv s THR 93 CO -0.18 -0.28 1.11 -0.70 -0.69 0.00 0.00 174.62 173.88 1xuv s GLU 94 N 1.35 4.49 -0.37 4.92 -6.30 -1.26 0.16 118.70 121.69 1xuv s GLU 94 Ca -0.01 1.64 0.06 0.00 -2.50 0.00 0.00 54.97 54.16 1xuv s GLU 94 Cb -0.19 -3.38 0.48 0.00 0.00 0.00 0.00 34.13 31.05 1xuv s GLU 94 CO -0.09 -0.15 1.49 -0.35 0.02 0.00 0.00 175.26 176.18 1xuv n PRO 95 N 3.78 2.62 -0.07 4.30 -0.04 -1.26 -4.97 135.00 139.36 1xuv n PRO 95 Ca 0.07 -3.55 -0.11 0.00 -0.04 0.00 0.00 63.50 59.88 1xuv n PRO 95 Cb 0.48 -2.08 -0.10 0.00 -0.04 0.00 0.00 33.50 31.77 1xuv n PRO 95 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xuv h GLU 96 N 1.60 0.00 -2.32 0.54 4.39 -0.54 -3.40 114.58 114.85 1xuv h GLU 96 Ca 0.36 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.22 1xuv h GLU 96 Cb 1.46 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.02 1xuv h GLU 96 CO 0.77 0.74 0.49 -0.98 -1.16 0.00 0.00 179.01 178.87 1xuv s ARG 97 N -2.06 1.10 -0.02 2.33 1.70 -0.60 -1.22 118.95 120.18 1xuv s ARG 97 Ca -0.15 -0.57 -0.00 0.00 -0.47 0.00 0.00 55.73 54.54 1xuv s ARG 97 Cb -0.02 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1xuv s ARG 97 CO 0.51 -0.50 0.04 0.42 -1.08 0.00 0.00 175.30 174.69 1xuv s ILE 98 N -3.24 -0.07 -0.10 4.99 1.01 -0.29 -1.51 121.20 122.00 1xuv s ILE 98 Ca 0.10 0.25 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1xuv s ILE 98 Cb -0.01 -0.10 0.02 0.00 0.01 0.00 0.00 42.46 42.38 1xuv s ILE 98 CO -0.01 0.10 -0.13 -0.63 0.00 0.00 0.00 174.94 174.28 1xuv s ILE 99 N 1.27 1.33 0.21 2.92 1.01 0.11 -0.22 121.20 127.83 1xuv s ILE 99 Ca -0.07 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 1xuv s ILE 99 Cb -0.13 -1.24 0.04 0.00 0.01 0.00 0.00 42.46 41.14 1xuv s ILE 99 CO -0.03 0.41 0.59 -0.94 0.00 0.00 0.00 174.94 174.97 1xuv s SER 100 N 1.08 -0.34 0.60 3.58 1.04 -0.56 0.14 113.70 119.24 1xuv s SER 100 Ca -0.06 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 55.91 1xuv s SER 100 Cb -0.15 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1xuv s SER 100 CO -0.02 -1.11 0.91 0.42 0.98 0.00 0.00 173.24 174.42 1xuv s THR 101 N -3.86 3.69 -0.16 2.02 -4.23 -0.18 -0.53 115.64 112.40 1xuv s THR 101 Ca 0.08 0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 1xuv s THR 101 Cb -0.02 -3.47 0.06 0.00 1.34 0.00 0.00 72.50 70.41 1xuv s THR 101 CO -0.03 -0.50 0.38 0.12 -0.54 0.00 0.00 174.62 174.05 1xuv s PHE 102 N -3.01 -0.59 -0.02 3.99 2.19 -0.11 -3.85 117.98 116.58 1xuv s PHE 102 Ca 0.54 1.24 0.01 0.00 0.33 0.00 0.00 56.93 59.04 1xuv s PHE 102 Cb -0.11 0.22 0.02 0.00 -1.31 0.00 0.00 43.02 41.84 1xuv s PHE 102 CO 0.46 -0.35 -0.02 -2.00 1.83 0.00 0.00 175.22 175.13 1xuv s GLU 103 N 1.68 0.38 -0.34 10.12 2.12 0.30 -1.42 118.70 131.55 1xuv s GLU 103 Ca -0.07 -0.02 -0.16 0.00 0.36 0.00 0.00 54.97 55.07 1xuv s GLU 103 Cb -0.10 -0.47 -0.01 0.00 0.26 0.00 0.00 34.13 33.81 1xuv s GLU 103 CO -0.12 -0.05 0.43 0.12 -0.54 0.00 0.00 175.26 175.10 1xuv s PHE 104 N 0.62 3.20 -1.57 5.30 5.36 -1.26 -1.62 117.98 128.00 1xuv s PHE 104 Ca -0.06 0.10 0.21 0.00 -0.96 0.00 0.00 56.93 56.22 1xuv s PHE 104 Cb -0.10 -2.78 1.12 0.00 -0.34 0.00 0.00 43.02 40.93 1xuv s PHE 104 CO -0.01 -0.46 1.67 0.39 -1.46 0.00 0.00 175.22 175.35 1xuv n GLU 105 N 5.54 0.40 0.00 10.12 1.02 0.05 -3.32 120.64 134.44 1xuv n GLU 105 Ca -0.07 0.07 0.15 0.00 -0.02 0.00 0.00 57.16 57.28 1xuv n GLU 105 Cb 0.49 -1.50 0.70 0.00 -0.02 0.00 0.00 31.44 31.11 1xuv n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xuv n GLY 106 N 0.46 -0.54 3.80 0.62 0.00 -1.26 -4.89 105.19 103.39 1xuv n GLY 106 Ca 0.12 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1xuv n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xuv s LEU 107 N -2.08 3.97 0.14 0.99 1.43 -1.21 -4.98 118.68 116.94 1xuv s LEU 107 Ca 0.40 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1xuv s LEU 107 Cb 0.21 -4.45 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 1xuv s LEU 107 CO 0.37 -0.54 1.55 1.55 0.23 0.00 0.00 176.35 179.51 1xuv h PRO 108 N 1.96 0.89 -5.69 1.29 0.13 -1.94 -3.43 132.00 125.21 1xuv h PRO 108 Ca -0.49 -0.35 -0.67 0.00 -0.87 0.00 0.00 66.00 63.62 1xuv h PRO 108 Cb 1.20 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.20 1xuv h PRO 108 CO 0.61 0.99 -0.50 -1.21 -0.23 0.00 0.00 178.00 177.66 1xuv s GLU 109 N -4.78 3.38 0.63 0.86 2.02 -1.26 -5.10 118.70 114.45 1xuv s GLU 109 Ca -0.12 -0.18 -0.06 0.00 0.02 0.00 0.00 54.97 54.63 1xuv s GLU 109 Cb 0.11 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 31.24 1xuv s GLU 109 CO 0.84 0.76 0.95 0.15 0.02 0.00 0.00 175.26 177.98 1xuv s LYS 110 N -0.99 2.72 0.00 1.61 -0.14 -1.26 -4.44 119.74 117.23 1xuv s LYS 110 Ca 0.15 -0.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.71 1xuv s LYS 110 Cb -0.12 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 33.80 1xuv s LYS 110 CO 0.04 -0.87 0.00 0.41 -0.76 0.00 0.00 175.35 174.17 1xuv n GLY 111 N -2.70 0.11 3.47 -3.33 0.00 -1.26 -5.02 105.19 96.45 1xuv n GLY 111 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1xuv n GLY 111 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xuv s HIS 112 N -2.03 2.64 0.01 1.61 3.76 -1.26 -4.98 115.29 115.03 1xuv s HIS 112 Ca 0.00 -0.54 0.08 0.00 -0.15 0.00 0.00 55.06 54.45 1xuv s HIS 112 Cb 0.00 -4.36 -0.02 0.00 1.11 0.00 0.00 32.58 29.31 1xuv s HIS 112 CO 0.00 -1.72 -0.24 0.08 -0.85 0.00 0.00 174.74 172.01 1xuv s VAL 113 N 4.27 1.94 0.07 -0.90 1.01 -1.26 -4.60 120.40 120.92 1xuv s VAL 113 Ca 0.26 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1xuv s VAL 113 Cb -0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1xuv s VAL 113 CO 0.09 0.44 -0.13 -0.63 0.00 0.00 0.00 175.10 174.87 1xuv s ILE 114 N -0.67 3.18 -0.24 2.22 1.01 -0.50 -4.07 121.20 122.12 1xuv s ILE 114 Ca 0.10 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1xuv s ILE 114 Cb -0.09 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1xuv s ILE 114 CO 0.00 0.23 0.05 -0.22 0.00 0.00 0.00 174.94 175.00 1xuv s LEU 115 N -1.83 3.34 -0.09 2.97 2.96 -0.64 -0.93 118.68 124.46 1xuv s LEU 115 Ca 0.18 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1xuv s LEU 115 Cb -0.11 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1xuv s LEU 115 CO 0.10 -0.03 0.00 -1.81 -1.32 0.00 0.00 176.35 173.29 1xuv s ASP 116 N 1.59 5.24 -0.16 3.68 1.01 0.31 -1.48 116.67 126.86 1xuv s ASP 116 Ca 0.06 0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.45 1xuv s ASP 116 Cb -0.15 -1.50 0.04 0.00 1.01 0.00 0.00 42.92 42.32 1xuv s ASP 116 CO 0.02 0.36 -0.04 -0.89 0.21 0.00 0.00 175.17 174.84 1xuv s THR 117 N -0.79 0.96 -0.19 -1.27 2.01 -0.19 -1.49 115.64 114.68 1xuv s THR 117 Ca 0.12 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 1xuv s THR 117 Cb -0.11 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1xuv s THR 117 CO 0.02 0.10 -0.00 0.00 -0.69 0.00 0.00 174.62 174.05 1xuv s ALA 118 N 1.70 3.03 -0.11 7.40 0.00 0.70 -0.04 121.76 134.43 1xuv s ALA 118 Ca 0.01 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1xuv s ALA 118 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1xuv s ALA 118 CO -0.07 -0.09 -0.14 0.50 0.00 0.00 0.00 175.76 175.96 1xuv s ARG 119 N 0.89 3.21 -0.24 0.00 3.52 -0.15 -1.13 118.95 125.04 1xuv s ARG 119 Ca 0.01 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 1xuv s ARG 119 Cb -0.14 -2.56 0.01 0.00 -1.56 0.00 0.00 34.95 30.69 1xuv s ARG 119 CO 0.02 0.28 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.68 1xuv s PHE 120 N 0.16 3.02 -0.06 5.12 0.40 -0.36 -1.20 117.98 125.06 1xuv s PHE 120 Ca -0.08 -1.29 0.06 0.00 -0.60 0.00 0.00 56.93 55.02 1xuv s PHE 120 Cb -0.15 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 1xuv s PHE 120 CO 0.05 -0.66 -0.23 -2.00 0.70 0.00 0.00 175.22 173.08 1xuv s GLU 121 N 1.39 2.43 0.43 0.44 2.56 -0.53 -4.59 118.70 120.84 1xuv s GLU 121 Ca 0.03 -0.84 -0.24 0.00 0.00 0.00 0.00 54.97 53.91 1xuv s GLU 121 Cb -0.16 -2.05 -0.08 0.00 2.00 0.00 0.00 34.13 33.84 1xuv s GLU 121 CO -0.04 0.34 1.16 0.00 -0.56 0.00 0.00 175.26 176.16 1xuv s ALA 122 N -0.08 3.05 0.25 6.30 0.00 -1.26 -0.98 121.76 129.04 1xuv s ALA 122 Ca -0.05 0.94 0.07 0.00 0.00 0.00 0.00 51.96 52.93 1xuv s ALA 122 Cb -0.14 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1xuv s ALA 122 CO 0.04 -0.59 -0.11 -0.51 0.00 0.00 0.00 175.76 174.59 1xuv s LEU 123 N -2.80 2.52 0.31 0.00 1.43 0.29 -4.85 118.68 115.58 1xuv s LEU 123 Ca 0.61 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.31 1xuv s LEU 123 Cb -0.29 -0.69 -0.11 0.00 0.03 0.00 0.00 46.19 45.13 1xuv s LEU 123 CO 0.36 -0.24 1.59 -2.16 0.23 0.00 0.00 176.35 176.13 1xuv s PRO 124 N -3.68 4.11 0.00 1.29 0.04 -1.26 -2.46 135.00 133.04 1xuv s PRO 124 Ca 0.26 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1xuv s PRO 124 Cb 0.01 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1xuv s PRO 124 CO 0.10 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1xuv n GLY 125 N 1.94 1.14 3.91 0.56 0.00 -1.26 -4.17 105.19 107.32 1xuv n GLY 125 Ca 0.07 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1xuv n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xuv n ASP 126 N 1.05 -3.46 -4.90 1.61 8.00 -1.11 -4.92 116.55 112.82 1xuv n ASP 126 Ca 0.00 -0.84 -0.26 0.00 0.71 0.00 0.00 54.79 54.41 1xuv n ASP 126 Cb 0.26 -3.71 -0.01 0.00 -0.02 0.00 0.00 41.12 37.65 1xuv n ASP 126 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xuv s ARG 127 N -6.52 2.28 0.02 -1.24 0.52 -1.03 -1.82 118.95 111.15 1xuv s ARG 127 Ca 0.48 -1.96 0.02 0.00 -0.52 0.00 0.00 55.73 53.74 1xuv s ARG 127 Cb -0.24 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 1xuv s ARG 127 CO 0.84 -0.57 -0.07 0.99 0.02 0.00 0.00 175.30 176.52 1xuv s THR 128 N -2.74 0.49 -0.19 0.02 2.01 -0.64 -0.55 115.64 114.04 1xuv s THR 128 Ca 0.36 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1xuv s THR 128 Cb -0.02 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 72.04 1xuv s THR 128 CO 0.22 -0.08 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.13 1xuv s LYS 129 N -0.73 2.88 -0.22 4.92 2.20 -0.15 -0.22 119.74 128.43 1xuv s LYS 129 Ca -0.03 -0.90 -0.08 0.00 -0.36 0.00 0.00 55.97 54.60 1xuv s LYS 129 Cb -0.05 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 1xuv s LYS 129 CO 0.00 -0.26 0.09 -1.17 -0.36 0.00 0.00 175.35 173.65 1xuv s LEU 130 N 1.26 3.75 -0.29 5.43 2.96 0.12 -1.45 118.68 130.47 1xuv s LEU 130 Ca 0.03 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1xuv s LEU 130 Cb -0.14 -1.98 0.07 0.00 0.50 0.00 0.00 46.19 44.63 1xuv s LEU 130 CO -0.12 0.08 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.07 1xuv s THR 131 N 0.94 2.51 -0.15 3.68 2.01 -0.34 -1.04 115.64 123.24 1xuv s THR 131 Ca 0.05 -1.69 -0.12 0.00 0.31 0.00 0.00 61.69 60.24 1xuv s THR 131 Cb -0.14 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 1xuv s THR 131 CO 0.03 -0.17 0.24 -0.44 -0.69 0.00 0.00 174.62 173.59 1xuv s SER 132 N 1.16 6.41 -0.23 3.53 0.01 0.72 -0.98 113.70 124.32 1xuv s SER 132 Ca -0.04 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.71 1xuv s SER 132 Cb -0.20 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 63.93 1xuv s SER 132 CO -0.04 0.18 -0.11 -2.28 0.41 0.00 0.00 173.24 171.39 1xuv s HIS 133 N 0.12 2.86 -0.29 2.43 2.46 0.94 -0.80 115.29 123.00 1xuv s HIS 133 Ca 0.15 -1.96 -0.07 0.00 0.47 0.00 0.00 55.06 53.65 1xuv s HIS 133 Cb -0.13 -1.81 0.01 0.00 -0.13 0.00 0.00 32.58 30.53 1xuv s HIS 133 CO 0.03 -0.82 0.08 -1.12 -2.47 0.00 0.00 174.74 170.44 1xuv s SER 134 N 1.25 5.13 -0.24 9.88 0.01 0.28 -1.02 113.70 128.99 1xuv s SER 134 Ca -0.04 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.46 1xuv s SER 134 Cb -0.18 -1.88 -0.02 0.00 0.21 0.00 0.00 66.02 64.15 1xuv s SER 134 CO -0.07 -0.19 0.02 -0.69 0.41 0.00 0.00 173.24 172.72 1xuv s VAL 135 N 1.50 3.92 0.36 3.43 1.01 -0.55 -0.54 120.40 129.54 1xuv s VAL 135 Ca 0.03 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1xuv s VAL 135 Cb -0.17 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1xuv s VAL 135 CO 0.03 0.37 0.55 -0.36 0.00 0.00 0.00 175.10 175.68 1xuv s PHE 136 N 1.56 3.37 0.22 5.22 0.08 0.02 -1.62 117.98 126.83 1xuv s PHE 136 Ca 0.06 0.20 -0.07 0.00 0.12 0.00 0.00 56.93 57.24 1xuv s PHE 136 Cb -0.15 -1.99 0.19 0.00 -0.57 0.00 0.00 43.02 40.50 1xuv s PHE 136 CO 0.01 0.01 1.82 0.37 -0.10 0.00 0.00 175.22 177.33 1xuv h GLN 137 N 0.72 1.23 -3.82 0.44 5.75 -1.85 -3.46 115.11 114.12 1xuv h GLN 137 Ca -0.48 -0.17 -0.09 0.00 -0.15 0.00 0.00 58.65 57.75 1xuv h GLN 137 Cb 1.23 -0.22 -0.13 0.00 1.07 0.00 0.00 27.48 29.43 1xuv h GLN 137 CO 0.59 0.94 -0.32 0.95 -2.65 0.00 0.00 178.83 178.34 1xuv s THR 138 N -5.72 0.09 0.25 2.39 -4.23 -1.26 -5.03 115.64 102.13 1xuv s THR 138 Ca -0.13 -1.26 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1xuv s THR 138 Cb 0.16 -1.62 0.25 0.00 1.34 0.00 0.00 72.50 72.64 1xuv s THR 138 CO 0.83 -0.42 1.89 0.16 -0.54 0.00 0.00 174.62 176.54 1xuv h ILE 139 N 2.60 1.14 -0.83 2.99 3.07 -1.88 -1.88 117.51 122.72 1xuv h ILE 139 Ca -0.33 -0.41 -0.02 0.00 1.55 0.00 0.00 64.86 65.66 1xuv h ILE 139 Cb 1.22 -0.16 -0.04 0.00 -0.27 0.00 0.00 36.82 37.57 1xuv h ILE 139 CO 0.51 0.22 0.45 1.05 -1.05 0.00 0.00 178.15 179.33 1xuv h GLU 140 N 1.19 1.16 -0.72 0.16 9.09 -1.96 0.16 114.58 123.66 1xuv h GLU 140 Ca 0.40 -0.14 0.01 0.00 0.05 0.00 0.00 59.36 59.68 1xuv h GLU 140 Cb 0.06 -0.23 -0.04 0.00 -1.65 0.00 0.00 28.75 26.89 1xuv h GLU 140 CO -0.14 0.86 0.47 -0.44 0.05 0.00 0.00 179.01 179.81 1xuv h ASP 141 N 1.16 0.80 -0.23 3.06 3.45 -1.77 0.52 116.42 123.41 1xuv h ASP 141 Ca 0.29 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.74 1xuv h ASP 141 Cb 0.04 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 1xuv h ASP 141 CO -0.05 0.57 0.14 -0.09 -1.57 0.00 0.00 179.24 178.24 1xuv h ARG 142 N 0.95 0.31 -0.32 3.56 1.12 -0.59 -2.92 114.38 116.49 1xuv h ARG 142 Ca 0.27 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1xuv h ARG 142 Cb -0.07 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.81 1xuv h ARG 142 CO -0.07 0.25 0.18 -0.44 -3.11 0.00 0.00 179.97 176.78 1xuv h ASP 143 N 0.28 0.38 0.00 -3.80 3.45 0.10 -2.90 116.42 113.93 1xuv h ASP 143 Ca 0.08 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1xuv h ASP 143 Cb 0.02 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 1xuv h ASP 143 CO -0.02 0.33 0.00 0.61 -1.57 0.00 0.00 179.24 178.60 1xuv n GLY 144 N -1.03 0.00 0.88 2.75 0.00 0.17 -1.58 105.19 106.39 1xuv n GLY 144 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1xuv n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xuv n LEU 146 N 0.87 0.00 0.28 0.99 4.77 -1.10 -2.36 117.00 120.45 1xuv n LEU 146 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1xuv n LEU 146 Cb 0.00 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 41.90 1xuv n LEU 146 CO 0.00 0.00 1.09 1.56 -1.33 0.00 0.00 177.39 178.71 1xuv h GLN 147 N 0.00 0.00 -0.90 3.23 4.20 -1.59 -1.99 115.11 118.06 1xuv h GLN 147 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xuv h GLN 147 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1xuv h GLN 147 CO 0.00 0.01 0.00 0.43 -0.67 0.00 0.00 178.83 178.60 1xuv n SER 148 N -4.06 1.03 -2.60 1.46 7.64 -0.99 -5.11 113.62 110.99 1xuv n SER 148 Ca -0.03 -1.77 -0.06 0.00 1.01 0.00 0.00 58.87 58.03 1xuv n SER 148 Cb 0.10 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 1xuv n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xuv n GLY 149 N 0.10 -5.28 1.57 0.23 0.00 -0.75 -4.95 105.19 96.11 1xuv n GLY 149 Ca 0.00 1.82 0.00 0.00 0.00 0.00 0.00 46.02 47.84 1xuv n GLY 149 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xuv n GLU 151 N 1.75 0.00 -0.06 1.61 2.13 -1.26 -1.99 120.64 122.82 1xuv n GLU 151 Ca -0.43 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.22 1xuv n GLU 151 Cb 0.66 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.24 1xuv n GLU 151 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1xuv h GLU 152 N 0.00 0.06 -0.74 5.31 4.57 -1.94 -3.21 114.58 118.63 1xuv h GLU 152 Ca 0.00 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1xuv h GLU 152 Cb 0.00 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1xuv h GLU 152 CO 0.00 1.05 0.48 0.78 -1.18 0.00 0.00 179.01 180.14 1xuv h GLY 153 N -0.81 1.06 0.89 1.92 0.00 -1.77 -1.80 103.07 102.57 1xuv h GLY 153 Ca -0.15 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 46.84 1xuv h GLY 153 CO -0.04 0.33 0.49 1.19 0.00 0.00 0.00 176.54 178.51 1xuv h ILE 154 N 0.95 1.13 -0.86 2.60 6.09 -1.84 -0.92 117.51 124.65 1xuv h ILE 154 Ca 0.29 -0.33 -0.02 0.00 -1.37 0.00 0.00 64.86 63.43 1xuv h ILE 154 Cb -0.04 0.08 -0.04 0.00 0.47 0.00 0.00 36.82 37.30 1xuv h ILE 154 CO -0.09 0.17 0.48 0.78 -3.07 0.00 0.00 178.15 176.42 1xuv h ASN 155 N 0.96 1.08 0.13 2.19 2.35 -1.40 -1.65 115.58 119.23 1xuv h ASN 155 Ca 0.30 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1xuv h ASN 155 Cb -0.01 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1xuv h ASN 155 CO -0.10 0.86 -0.06 0.44 -1.65 0.00 0.00 177.43 176.92 1xuv h ASP 156 N 1.20 -0.15 -0.49 5.81 3.32 -0.53 -2.05 116.42 123.53 1xuv h ASP 156 Ca 0.30 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1xuv h ASP 156 Cb 0.02 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 1xuv h ASP 156 CO -0.05 0.11 0.17 0.77 -1.72 0.00 0.00 179.24 178.52 1xuv h SER 157 N -0.41 0.16 -0.22 6.45 4.64 -1.05 0.18 113.55 123.29 1xuv h SER 157 Ca -0.02 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1xuv h SER 157 Cb 0.33 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1xuv h SER 157 CO 0.03 0.12 0.09 1.88 -0.87 0.00 0.00 176.83 178.08 1xuv h TYR 158 N 0.34 0.39 -0.29 4.77 0.99 -1.27 0.31 116.97 122.20 1xuv h TYR 158 Ca 0.24 -0.01 -0.15 0.00 2.00 0.00 0.00 58.73 60.80 1xuv h TYR 158 Cb 0.26 -0.12 -0.00 0.00 1.00 0.00 0.00 36.73 37.86 1xuv h TYR 158 CO -0.17 0.32 -0.42 0.93 -0.00 0.00 0.00 178.16 178.83 1xuv h GLU 159 N 0.39 0.80 -0.66 4.88 5.08 -0.38 -0.72 114.58 123.97 1xuv h GLU 159 Ca 0.10 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1xuv h GLU 159 Cb 0.11 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1xuv h GLU 159 CO -0.01 1.10 0.34 0.00 -1.00 0.00 0.00 179.01 179.44 1xuv h ARG 160 N 0.56 0.92 -0.47 2.33 3.08 0.48 -2.06 114.38 119.22 1xuv h ARG 160 Ca 0.03 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1xuv h ARG 160 Cb 1.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1xuv h ARG 160 CO 0.10 0.69 -0.14 1.25 -1.07 0.00 0.00 179.97 180.80 1xuv h LEU 161 N 0.92 0.90 -0.19 3.04 5.85 -0.15 -1.74 115.31 123.93 1xuv h LEU 161 Ca 0.23 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1xuv h LEU 161 Cb 0.06 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1xuv h LEU 161 CO -0.03 1.04 -0.06 0.44 -0.34 0.00 0.00 178.44 179.49 1xuv h ASP 162 N 0.80 -0.20 -0.73 1.25 3.45 -0.45 0.23 116.42 120.77 1xuv h ASP 162 Ca 0.12 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.64 1xuv h ASP 162 Cb 0.68 0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 39.54 1xuv h ASP 162 CO 0.05 -0.08 0.46 -0.33 -1.57 0.00 0.00 179.24 177.77 1xuv h GLU 163 N -0.01 0.98 -0.49 3.56 5.08 -1.21 -2.08 114.58 120.41 1xuv h GLU 163 Ca 0.10 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1xuv h GLU 163 Cb 0.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xuv h GLU 163 CO -0.21 0.67 -0.02 1.25 -1.00 0.00 0.00 179.01 179.71 1xuv h LEU 164 N 0.99 0.86 -1.20 1.33 5.85 -0.88 -2.78 115.31 119.49 1xuv h LEU 164 Ca 0.26 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1xuv h LEU 164 Cb -0.07 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 1xuv h LEU 164 CO -0.05 0.97 0.54 -0.07 -0.34 0.00 0.00 178.44 179.49 1xuv h LEU 165 N 0.73 0.92 -0.76 2.25 3.38 -0.18 -1.83 115.31 119.82 1xuv h LEU 165 Ca 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xuv h LEU 165 Cb 0.54 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1xuv h LEU 165 CO 0.03 0.66 0.38 -0.33 0.09 0.00 0.00 178.44 179.26 1xuv h GLU 166 N 1.08 1.10 -1.17 1.13 4.39 -1.15 0.14 114.58 120.10 1xuv h GLU 166 Ca 0.31 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1xuv h GLU 166 Cb -0.08 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.37 1xuv h GLU 166 CO -0.08 0.85 0.00 1.63 -1.16 0.00 0.00 179.01 180.25 1xuv n LYS 167 N -4.39 0.23 0.00 2.33 5.02 -0.69 -0.70 118.16 119.96 1xuv n LYS 167 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1xuv n LYS 167 Cb 0.13 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1xuv n LYS 167 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xuv n LYS 169 N 0.69 0.00 -0.19 1.97 5.02 0.47 -1.26 118.16 124.86 1xuv n LYS 169 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1xuv n LYS 169 Cb 0.09 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.13 1xuv n LYS 169 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1xuv h LYS 170 N 0.00 0.72 0.00 1.97 1.79 -1.16 -1.40 116.57 118.50 1xuv h LYS 170 Ca 0.00 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 1xuv h LYS 170 Cb 0.00 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1xuv h LYS 170 CO 0.00 0.51 -0.24 1.25 -1.08 0.00 0.00 179.45 179.89 1xuv h LEU 171 N 0.73 0.00 0.00 2.94 7.12 -1.43 -3.30 115.31 121.37 1xuv h LEU 171 Ca 0.20 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1xuv h LEU 171 Cb -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 1xuv h LEU 171 CO -0.04 0.24 0.00 1.21 -0.13 0.00 0.00 178.44 179.72 1xuv n GLU 172 N -4.22 0.00 0.00 1.25 4.07 -0.53 -5.23 120.64 115.98 1xuv n GLU 172 Ca -0.02 0.21 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 1xuv n GLU 172 Cb 0.29 -1.03 0.00 0.00 -0.06 0.00 0.00 31.44 30.64 1xuv n GLU 172 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68