#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 4.21 -0.57 3.52 0.04 -1.26 -4.92 135.00 136.02 1xuv s PRO 12 Ca 0.00 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 62.37 1xuv s PRO 12 Cb 0.00 -2.49 0.15 0.00 0.04 0.00 0.00 34.50 32.20 1xuv s PRO 12 CO 0.00 -0.08 0.44 0.99 0.04 0.00 0.00 177.00 178.38 1xuv s THR 13 N -1.76 4.32 -0.04 1.26 2.01 -1.26 -4.43 115.64 115.74 1xuv s THR 13 Ca 0.58 -2.18 -0.28 0.00 0.31 0.00 0.00 61.69 60.12 1xuv s THR 13 Cb -0.19 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1xuv s THR 13 CO 0.24 -0.84 0.92 -0.13 -0.69 0.00 0.00 174.62 174.12 1xuv s ARG 14 N 0.82 4.50 -0.13 4.92 0.52 -0.75 -4.93 118.95 123.90 1xuv s ARG 14 Ca 0.10 1.29 0.01 0.00 -0.52 0.00 0.00 55.73 56.61 1xuv s ARG 14 Cb -0.22 -3.48 0.02 0.00 0.52 0.00 0.00 34.95 31.79 1xuv s ARG 14 CO -0.03 -0.08 -0.14 0.42 0.02 0.00 0.00 175.30 175.49 1xuv s ILE 15 N 1.18 1.50 -0.27 1.52 1.01 -1.26 -0.77 121.20 124.11 1xuv s ILE 15 Ca 0.48 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 1xuv s ILE 15 Cb -0.20 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1xuv s ILE 15 CO 0.24 0.45 0.07 -0.89 0.00 0.00 0.00 174.94 174.80 1xuv s THR 16 N 1.37 4.15 -0.40 2.92 2.01 0.16 -4.98 115.64 120.87 1xuv s THR 16 Ca 0.02 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 61.72 1xuv s THR 16 Cb -0.13 -3.02 0.28 0.00 0.01 0.00 0.00 72.50 69.64 1xuv s THR 16 CO -0.08 0.24 0.60 0.00 -0.69 0.00 0.00 174.62 174.68 1xuv n ALA 17 N 4.90 2.40 -1.64 7.40 0.00 -1.26 -0.97 120.51 131.34 1xuv n ALA 17 Ca -0.16 -3.47 -0.46 0.00 0.00 0.00 0.00 53.44 49.36 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 1.04 1.75 -2.12 0.00 1.02 -1.26 -4.91 120.64 116.16 1xuv n GLU 18 Ca 0.23 0.62 -0.41 0.00 -0.02 0.00 0.00 57.16 57.58 1xuv n GLU 18 Cb 0.56 -2.20 -0.02 0.00 -0.02 0.00 0.00 31.44 29.76 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 -0.64 4.35 0.00 3.49 0.04 -1.26 -2.53 135.00 138.45 1xuv s PRO 19 Ca 0.67 2.20 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 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.76 1xuv n GLY 20 N 1.17 0.85 3.71 0.56 0.00 -1.26 -5.05 105.19 105.17 1xuv n GLY 20 Ca 0.02 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 -0.68 2.68 -0.65 1.61 1.02 -1.05 -4.98 119.74 117.70 1xuv s LYS 21 Ca 0.00 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.22 1xuv s LYS 21 Cb 0.00 -2.62 0.47 0.00 -0.52 0.00 0.00 37.83 35.16 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 0.69 2.67 -4.04 1.68 10.64 -1.26 -4.70 117.38 123.05 1xuv n GLN 22 Ca -0.11 -3.28 -0.10 0.00 -1.83 0.00 0.00 57.00 51.68 1xuv n GLN 22 Cb 0.52 -2.28 -0.07 0.00 -0.86 0.00 0.00 30.24 27.55 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 -3.79 1.29 -0.11 2.61 -1.05 -1.26 -0.80 118.70 115.60 1xuv s GLU 23 Ca 0.64 -1.33 -0.05 0.00 -0.15 0.00 0.00 54.97 54.08 1xuv s GLU 23 Cb 0.51 0.38 0.05 0.00 -0.44 0.00 0.00 34.13 34.62 1xuv s GLU 23 CO -0.00 -0.48 0.26 0.42 0.95 0.00 0.00 175.26 176.41 1xuv s ILE 24 N -4.04 -0.09 -0.09 1.83 1.01 0.27 -4.63 121.20 115.46 1xuv s ILE 24 Ca 0.25 0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.08 1xuv s ILE 24 Cb 0.03 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1xuv s ILE 24 CO 0.06 0.07 -0.17 -0.63 0.00 0.00 0.00 174.94 174.27 1xuv s ILE 25 N 1.43 2.78 -0.06 2.92 1.01 -0.14 -0.56 121.20 128.57 1xuv s ILE 25 Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1xuv s ILE 25 Cb -0.10 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.27 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 -0.05 1.09 0.07 2.92 1.01 0.02 0.39 121.20 126.66 1xuv s ILE 26 Ca -0.04 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.25 1xuv s ILE 26 Cb -0.14 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 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 0.65 2.25 -0.28 2.92 -4.23 0.05 -0.21 115.64 116.78 1xuv s THR 27 Ca -0.14 -1.49 -0.19 0.00 -1.18 0.00 0.00 61.69 58.68 1xuv s THR 27 Cb -0.15 -1.92 0.11 0.00 1.34 0.00 0.00 72.50 71.87 1xuv s THR 27 CO 0.03 0.27 0.86 -0.60 -0.54 0.00 0.00 174.62 174.64 1xuv s ARG 28 N -1.53 0.58 0.20 3.99 3.00 -0.20 -1.81 118.95 123.18 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 0.18 -0.03 0.00 0.00 0.00 0.00 34.95 35.00 1xuv s ARG 28 CO 0.04 -0.10 0.33 -1.21 0.00 0.00 0.00 175.30 174.36 1xuv s GLU 29 N 1.05 3.44 0.02 5.12 2.02 -1.26 0.11 118.70 129.21 1xuv s GLU 29 Ca -0.05 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.28 1xuv s GLU 29 Cb -0.05 -2.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 1xuv s GLU 29 CO -0.12 0.46 -0.07 -0.06 0.02 0.00 0.00 175.26 175.49 1xuv s PHE 30 N -1.89 0.59 -1.30 1.61 0.08 0.69 -4.87 117.98 112.89 1xuv s PHE 30 Ca 0.34 -0.34 -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 0.00 175.22 177.62 1xuv n ASP 31 N 2.05 8.04 -3.49 1.36 8.00 -1.26 -1.64 116.55 129.61 1xuv n ASP 31 Ca -0.19 -3.05 -0.12 0.00 0.71 0.00 0.00 54.79 52.14 1xuv n ASP 31 Cb 0.56 -1.38 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 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 -0.67 -1.76 0.44 2.24 0.00 -1.25 -4.98 121.76 115.77 1xuv s ALA 32 Ca 0.57 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 53.29 1xuv s ALA 32 Cb 0.20 0.29 -0.08 0.00 0.00 0.00 0.00 23.12 23.53 1xuv s ALA 32 CO -0.10 -0.58 1.29 -1.25 0.00 0.00 0.00 175.76 175.12 1xuv s PRO 33 N -2.54 3.80 0.65 0.00 0.04 -0.76 -2.48 135.00 133.71 1xuv s PRO 33 Ca -0.01 2.10 0.34 0.00 0.04 0.00 0.00 61.00 63.47 1xuv s PRO 33 Cb -0.01 -2.62 1.86 0.00 0.04 0.00 0.00 34.50 33.78 1xuv s PRO 33 CO -0.04 -0.61 2.07 0.07 0.04 0.00 0.00 177.00 178.53 1xuv h ARG 34 N 2.38 0.00 -0.78 4.56 0.11 -1.85 0.27 114.38 119.06 1xuv h ARG 34 Ca -0.50 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.53 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 0.28 0.93 0.10 0.00 0.00 179.97 181.89 1xuv h GLU 35 N 0.00 1.19 -0.03 0.08 4.39 -1.91 0.27 114.58 118.56 1xuv h GLU 35 Ca 0.02 -0.23 -0.17 0.00 0.34 0.00 0.00 59.36 59.32 1xuv h GLU 35 Cb 0.48 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1xuv h GLU 35 CO -0.00 0.98 -0.64 -0.07 -1.16 0.00 0.00 179.01 178.12 1xuv h LEU 36 N 1.15 0.62 -0.32 1.33 4.07 -1.31 -2.34 115.31 118.50 1xuv h LEU 36 Ca 0.26 -0.72 -0.01 0.00 0.08 0.00 0.00 57.88 57.48 1xuv h LEU 36 Cb 0.26 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1xuv h LEU 36 CO -0.02 1.25 0.15 0.58 -1.08 0.00 0.00 178.44 179.32 1xuv h VAL 37 N 0.04 1.17 -0.86 1.22 2.07 -1.26 -1.81 116.25 116.82 1xuv h VAL 37 Ca -0.07 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.01 1xuv h VAL 37 Cb 1.32 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 1xuv h VAL 37 CO 0.13 0.17 0.54 0.15 0.02 0.00 0.00 177.57 178.58 1xuv h PHE 38 N 0.38 1.01 -0.90 1.57 3.04 -0.52 -1.18 116.94 120.34 1xuv h PHE 38 Ca 0.11 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1xuv h PHE 38 Cb 0.14 -0.33 -0.04 0.00 2.56 0.00 0.00 35.95 38.28 1xuv h PHE 38 CO -0.01 0.54 0.53 -0.22 -2.02 0.00 0.00 178.31 177.13 1xuv h LYS 39 N 1.02 1.23 -0.04 1.11 3.64 -0.96 -0.83 116.57 121.75 1xuv h LYS 39 Ca 0.36 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1xuv h LYS 39 Cb 0.10 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1xuv h LYS 39 CO -0.15 0.87 0.04 0.00 -2.27 0.00 0.00 179.45 177.93 1xuv h ALA 40 N 1.34 1.67 0.00 5.00 0.00 -0.37 0.78 119.26 127.68 1xuv h ALA 40 Ca 0.32 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.05 1xuv h ALA 40 Cb -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xuv h ALA 40 CO -0.06 -0.05 -1.17 0.74 0.00 0.00 0.00 179.25 178.70 1xuv h PHE 41 N 0.00 0.00 -0.00 0.00 -1.00 -0.90 -3.15 116.94 111.90 1xuv h PHE 41 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1xuv h PHE 41 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1xuv h PHE 41 CO 0.00 0.72 -0.50 0.25 -1.61 0.00 0.00 178.31 177.16 1xuv n THR 42 N -3.08 0.00 -3.25 -1.55 -2.24 -0.73 -4.90 114.28 98.52 1xuv n THR 42 Ca -0.06 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1xuv n THR 42 Cb 0.87 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 70.04 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 -2.02 6.25 0.25 3.42 -1.08 0.19 -4.76 116.67 118.93 1xuv s ASP 43 Ca 0.05 -0.41 -0.09 0.00 -0.52 0.00 0.00 52.55 51.58 1xuv s ASP 43 Cb 0.09 -2.26 0.39 0.00 -1.46 0.00 0.00 42.92 39.68 1xuv s ASP 43 CO 0.45 -0.59 1.60 -0.65 0.52 0.00 0.00 175.17 176.50 1xuv h PRO 44 N 8.69 0.01 0.00 4.34 0.11 -1.91 0.22 132.00 143.46 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 0.81 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.36 1xuv n ASP 45 N -5.51 0.54 -0.12 -2.05 8.00 -1.26 -3.08 116.55 113.08 1xuv n ASP 45 Ca 0.13 0.65 -0.16 0.00 0.71 0.00 0.00 54.79 56.12 1xuv n ASP 45 Cb 0.45 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.12 2.98 -0.20 0.64 4.77 0.56 -4.56 117.00 119.07 1xuv n LEU 46 Ca 0.02 -0.13 0.01 0.00 -0.03 0.00 0.00 56.01 55.88 1xuv n LEU 46 Cb 0.18 -0.83 0.10 0.00 -2.33 0.00 0.00 43.42 40.55 1xuv n LEU 46 CO 0.17 0.90 0.88 0.22 -1.33 0.00 0.00 177.39 178.23 1xuv h TYR 47 N 0.00 0.09 0.00 -1.77 3.20 -0.91 -0.80 116.97 116.78 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 1.82 0.05 0.00 0.00 1.54 0.00 0.00 36.73 40.14 1xuv h TYR 47 CO 0.03 -0.09 0.00 0.25 -1.64 0.00 0.00 178.16 176.71 1xuv n THR 48 N -5.20 0.97 0.82 1.81 -2.24 -1.22 -2.10 114.28 107.12 1xuv n THR 48 Ca 0.09 0.36 0.13 0.00 -2.27 0.00 0.00 64.05 62.36 1xuv n THR 48 Cb 0.34 -1.29 0.37 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.10 0.12 0.00 -0.78 6.02 -0.31 -4.36 117.38 115.98 1xuv n GLN 49 Ca 0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1xuv n GLN 49 Cb 0.17 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.79 0.00 -1.77 1.08 4.27 -1.11 -4.88 117.44 113.24 1xuv n TRP 50 Ca 0.05 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.32 1xuv n TRP 50 Cb 0.38 0.00 0.05 0.00 -1.36 0.00 0.00 31.31 30.38 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 -0.99 2.92 0.05 -1.67 1.10 -0.89 -4.37 121.20 117.35 1xuv s ILE 51 Ca 0.00 0.47 0.00 0.00 -0.51 0.00 0.00 60.65 60.61 1xuv s ILE 51 Cb 0.00 -3.03 0.00 0.00 0.15 0.00 0.00 42.46 39.58 1xuv s ILE 51 CO 0.00 -0.22 0.00 0.61 -2.11 0.00 0.00 174.94 173.22 1xuv n GLY 52 N -0.07 -2.72 3.76 1.50 0.00 -1.26 -4.88 105.19 101.53 1xuv n GLY 52 Ca 0.12 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.27 2.49 0.36 1.61 0.04 -1.26 -4.08 135.00 130.89 1xuv s PRO 53 Ca 0.00 1.35 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 1xuv s PRO 53 Cb 0.00 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 1xuv s PRO 53 CO 0.00 -1.49 0.91 -2.13 0.04 0.00 0.00 177.00 174.33 1xuv n ARG 54 N -2.90 1.17 -0.78 4.56 3.00 -1.26 -1.67 116.66 118.78 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 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 31.14 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 1.33 1.15 3.88 5.14 0.00 -1.26 -4.95 105.19 110.47 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 -3.67 3.46 -0.08 1.61 0.40 -0.67 -2.63 117.98 116.41 1xuv s PHE 56 Ca 0.00 0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.61 1xuv s PHE 56 Cb 0.00 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.75 1xuv s PHE 56 CO 0.00 0.60 -0.14 0.99 0.70 0.00 0.00 175.22 177.37 1xuv s THR 57 N -1.40 3.07 -0.12 0.64 2.01 0.32 -4.92 115.64 115.23 1xuv s THR 57 Ca 0.31 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1xuv s THR 57 Cb -0.13 -2.23 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1xuv s THR 57 CO 0.23 0.57 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.63 1xuv s THR 58 N -0.32 1.90 -0.10 -0.82 2.01 -1.26 0.65 115.64 117.70 1xuv s THR 58 Ca 0.03 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1xuv s THR 58 Cb -0.13 -1.68 -0.00 0.00 0.01 0.00 0.00 72.50 70.70 1xuv s THR 58 CO 0.03 0.52 -0.24 0.00 -0.69 0.00 0.00 174.62 174.24 1xuv s ALA 59 N 0.72 2.18 0.15 7.40 0.00 -0.27 -4.88 121.76 127.07 1xuv s ALA 59 Ca -0.10 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 1xuv s ALA 59 Cb -0.16 -0.81 -0.08 0.00 0.00 0.00 0.00 23.12 22.08 1xuv s ALA 59 CO 0.01 0.30 0.67 -0.51 0.00 0.00 0.00 175.76 176.23 1xuv s LEU 60 N 0.29 4.47 -0.13 0.00 1.43 -1.26 -1.16 118.68 122.32 1xuv s LEU 60 Ca -0.17 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1xuv s LEU 60 Cb -0.18 -3.26 -0.11 0.00 0.03 0.00 0.00 46.19 42.68 1xuv s LEU 60 CO 0.08 0.16 -0.06 0.29 0.23 0.00 0.00 176.35 177.06 1xuv n LYS 61 N 1.27 1.08 -3.75 1.70 4.76 0.81 -4.97 118.16 119.07 1xuv n LYS 61 Ca -0.06 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 1xuv n LYS 61 Cb 0.50 -1.28 -0.11 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.28 -0.00 -0.29 -0.18 -1.09 -0.98 -4.95 121.20 111.43 1xuv s ILE 62 Ca -0.14 0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 1xuv s ILE 62 Cb 0.04 -0.51 0.17 0.00 -1.58 0.00 0.00 42.46 40.59 1xuv s ILE 62 CO 0.38 0.00 0.48 0.12 -1.23 0.00 0.00 174.94 174.69 1xuv s PHE 63 N 0.28 -1.31 -0.51 3.97 5.36 -1.25 -0.50 117.98 124.02 1xuv s PHE 63 Ca -0.01 0.66 0.03 0.00 -0.96 0.00 0.00 56.93 56.66 1xuv s PHE 63 Cb -0.03 0.04 0.14 0.00 -0.34 0.00 0.00 43.02 42.83 1xuv s PHE 63 CO -0.00 -1.00 0.29 -1.21 -1.46 0.00 0.00 175.22 171.83 1xuv s GLU 64 N 2.65 1.78 -1.12 10.12 2.02 -0.54 -5.01 118.70 128.61 1xuv s GLU 64 Ca 0.10 -2.50 -0.08 0.00 0.02 0.00 0.00 54.97 52.51 1xuv s GLU 64 Cb -0.12 -2.94 -0.06 0.00 0.10 0.00 0.00 34.13 31.10 1xuv s GLU 64 CO -0.28 -1.16 2.33 -0.35 0.02 0.00 0.00 175.26 175.82 1xuv n PRO 65 N 3.09 2.51 -3.85 0.39 -0.04 -1.26 -4.20 135.00 131.64 1xuv n PRO 65 Ca 0.09 -1.72 -0.10 0.00 -0.04 0.00 0.00 63.50 61.74 1xuv n PRO 65 Cb 0.34 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.14 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 3.17 1.16 0.15 0.54 -2.85 -1.26 -4.91 119.74 115.74 1xuv s LYS 66 Ca 0.49 -1.00 -0.34 0.00 -1.00 0.00 0.00 55.97 54.11 1xuv s LYS 66 Cb 0.13 0.42 -0.14 0.00 -2.06 0.00 0.00 37.83 36.17 1xuv s LYS 66 CO -0.03 -0.44 1.53 0.09 0.10 0.00 0.00 175.35 176.60 1xuv n ASN 67 N -0.23 2.82 0.00 0.03 4.13 -1.26 -0.26 115.26 120.49 1xuv n ASN 67 Ca -0.10 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.25 1xuv n ASN 67 Cb 0.63 -1.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.48 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 3.22 0.87 3.84 7.41 0.00 0.29 -5.02 105.19 115.81 1xuv n GLY 68 Ca 0.17 0.00 -0.32 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 2.19 0.24 -0.02 0.00 0.64 -4.79 107.32 103.57 1xuv s GLY 69 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 44.72 44.97 1xuv s GLY 69 CO 0.00 0.43 0.19 -0.56 0.00 0.00 0.00 173.10 173.17 1xuv s SER 70 N -2.69 5.56 0.03 1.64 0.01 -1.26 0.44 113.70 117.42 1xuv s SER 70 Ca 0.58 -0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.56 1xuv s SER 70 Cb -0.10 -1.43 -0.01 0.00 0.21 0.00 0.00 66.02 64.70 1xuv s SER 70 CO 0.24 -0.02 0.11 -1.66 0.41 0.00 0.00 173.24 172.31 1xuv s TRP 71 N -2.07 0.15 -0.29 2.43 1.48 -0.45 -1.46 118.94 118.72 1xuv s TRP 71 Ca 0.33 -0.38 -0.15 0.00 -1.06 0.00 0.00 56.10 54.84 1xuv s TRP 71 Cb -0.08 -0.11 0.12 0.00 -1.16 0.00 0.00 33.47 32.24 1xuv s TRP 71 CO 0.25 -0.34 0.82 -1.14 -4.06 0.00 0.00 176.95 172.49 1xuv s GLN 72 N -2.18 0.51 0.09 3.25 0.74 0.35 -1.69 119.66 120.72 1xuv s GLN 72 Ca -0.09 1.00 -0.02 0.00 0.05 0.00 0.00 55.36 56.31 1xuv s GLN 72 Cb -0.04 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 1xuv s GLN 72 CO -0.02 -0.13 0.02 1.52 -0.55 0.00 0.00 175.29 176.13 1xuv s TYR 73 N 1.89 0.63 -0.09 1.67 1.13 -0.64 -0.14 117.35 121.81 1xuv s TYR 73 Ca -0.08 -1.10 0.02 0.00 -1.41 0.00 0.00 57.07 54.50 1xuv s TYR 73 Cb -0.06 -0.40 0.01 0.00 -1.10 0.00 0.00 41.96 40.41 1xuv s TYR 73 CO -0.18 -0.45 -0.16 0.42 -2.51 0.00 0.00 175.55 172.67 1xuv s ILE 74 N -3.97 1.46 0.06 -3.49 1.01 -0.31 -1.30 121.20 114.66 1xuv s ILE 74 Ca 0.14 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1xuv s ILE 74 Cb 0.08 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1xuv s ILE 74 CO -0.05 0.43 0.02 -1.10 0.00 0.00 0.00 174.94 174.24 1xuv s GLN 75 N 0.73 2.70 -0.07 2.79 -0.21 0.22 -1.11 119.66 124.71 1xuv s GLN 75 Ca -0.12 -0.73 0.04 0.00 0.02 0.00 0.00 55.36 54.57 1xuv s GLN 75 Cb -0.16 -2.63 -0.00 0.00 1.00 0.00 0.00 33.01 31.22 1xuv s GLN 75 CO 0.03 0.57 -0.21 0.15 -2.12 0.00 0.00 175.29 173.71 1xuv s LYS 76 N -2.09 2.44 0.79 2.91 3.01 0.21 -0.67 119.74 126.34 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 -1.96 0.07 0.00 -1.01 0.00 0.00 37.83 34.81 1xuv s LYS 76 CO 0.17 0.22 1.12 0.16 0.51 0.00 0.00 175.35 177.53 1xuv s ASP 77 N 0.21 4.64 0.00 2.83 -4.77 -0.67 -0.53 116.67 118.38 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 -1.85 0.75 -0.81 0.70 0.00 0.00 175.17 174.02 1xuv n PRO 78 N -3.32 0.41 0.00 2.11 -0.04 -1.08 -2.48 135.00 130.59 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 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.63 0.00 0.00 0.54 1.02 -1.26 -5.06 120.64 117.51 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 0.21 -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 0.18 0.72 3.77 0.62 0.00 -1.04 -5.13 105.19 104.32 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 6.48 0.04 1.61 0.01 -1.26 -4.79 114.94 117.03 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 -0.75 -0.08 -1.61 -1.51 0.00 0.00 177.10 173.15 1xuv s GLU 82 N -2.02 2.40 -0.17 -0.60 2.02 -1.26 -1.66 118.70 117.41 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 0.02 0.71 0.02 0.00 0.00 175.26 177.14 1xuv s TYR 83 N -1.09 1.11 -0.12 1.61 2.02 0.16 -4.97 117.35 116.07 1xuv s TYR 83 Ca 0.19 -0.81 -0.06 0.00 -0.37 0.00 0.00 57.07 56.02 1xuv s TYR 83 Cb -0.11 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1xuv s TYR 83 CO 0.10 -0.57 0.11 0.00 -1.57 0.00 0.00 175.55 173.63 1xuv s ALA 84 N 1.83 3.75 0.04 3.71 0.00 -1.26 -0.61 121.76 129.22 1xuv s ALA 84 Ca -0.00 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1xuv s ALA 84 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 1xuv s ALA 84 CO -0.07 0.56 -0.05 -0.06 0.00 0.00 0.00 175.76 176.13 1xuv s PHE 85 N -0.84 0.51 0.17 0.00 0.08 -0.42 -0.76 117.98 116.72 1xuv s PHE 85 Ca 0.14 -0.61 -0.18 0.00 0.12 0.00 0.00 56.93 56.40 1xuv s PHE 85 Cb -0.12 -0.32 0.04 0.00 -0.57 0.00 0.00 43.02 42.04 1xuv s PHE 85 CO 0.03 -0.16 0.51 -3.38 -0.10 0.00 0.00 175.22 172.12 1xuv s HIS 86 N -1.87 -0.21 0.06 0.36 -3.43 -0.64 -1.62 115.29 107.93 1xuv s HIS 86 Ca -0.09 -0.10 -0.16 0.00 -0.80 0.00 0.00 55.06 53.91 1xuv s HIS 86 Cb -0.07 0.39 0.06 0.00 -1.43 0.00 0.00 32.58 31.53 1xuv s HIS 86 CO -0.02 -0.85 0.76 0.41 -2.00 0.00 0.00 174.74 173.04 1xuv n GLY 87 N -0.32 0.61 3.02 -1.38 0.00 -0.68 -0.57 105.19 105.87 1xuv n GLY 87 Ca -0.13 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.15 0.66 -0.23 1.61 -7.23 -1.25 -1.34 120.40 110.47 1xuv s VAL 88 Ca 0.17 -0.47 -0.23 0.00 -1.81 0.00 0.00 61.98 59.65 1xuv s VAL 88 Cb -0.01 -0.58 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 1xuv s VAL 88 CO 0.02 0.11 0.74 0.20 -0.31 0.00 0.00 175.10 175.86 1xuv s ASN 89 N -0.40 6.75 -0.01 4.85 0.01 0.17 -1.04 114.94 125.28 1xuv s ASN 89 Ca 0.02 0.93 -0.19 0.00 -0.71 0.00 0.00 52.86 52.90 1xuv s ASN 89 Cb -0.04 -2.40 -0.32 0.00 0.41 0.00 0.00 41.25 38.90 1xuv s ASN 89 CO -0.00 -0.42 0.96 -0.74 -1.51 0.00 0.00 177.10 175.39 1xuv h HIS 90 N 7.66 0.74 -2.72 2.20 -0.00 0.79 0.85 115.15 124.67 1xuv h HIS 90 Ca -0.26 -0.52 -0.12 0.00 -0.00 0.00 0.00 60.37 59.46 1xuv h HIS 90 Cb 1.11 -0.04 -0.25 0.00 -0.00 0.00 0.00 27.41 28.23 1xuv h HIS 90 CO 0.74 1.40 -0.28 0.34 -0.00 0.00 0.00 177.93 180.13 1xuv s ASP 91 N -7.20 -0.46 -0.24 3.26 2.15 -0.51 -4.12 116.67 109.55 1xuv s ASP 91 Ca -0.12 0.83 -0.02 0.00 0.43 0.00 0.00 52.55 53.67 1xuv s ASP 91 Cb 0.02 0.78 0.08 0.00 -0.30 0.00 0.00 42.92 43.50 1xuv s ASP 91 CO 0.88 -0.16 0.07 -0.69 -0.17 0.00 0.00 175.17 175.09 1xuv s VAL 92 N 0.79 0.52 -0.26 1.11 1.01 -1.26 0.06 120.40 122.37 1xuv s VAL 92 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1xuv s VAL 92 Cb -0.06 -1.20 0.07 0.00 0.00 0.00 0.00 36.38 35.20 1xuv s VAL 92 CO -0.06 -0.43 -0.01 -0.89 0.00 0.00 0.00 175.10 173.71 1xuv s THR 93 N 1.83 1.54 0.05 3.92 2.01 -0.57 -4.56 115.64 119.85 1xuv s THR 93 Ca 0.04 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.30 1xuv s THR 93 Cb -0.17 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.38 1xuv s THR 93 CO -0.18 -0.28 1.12 -0.70 -0.69 0.00 0.00 174.62 173.90 1xuv s GLU 94 N 1.35 4.48 -0.37 4.92 -6.30 -1.26 0.24 118.70 121.76 1xuv s GLU 94 Ca -0.00 1.66 0.06 0.00 -2.50 0.00 0.00 54.97 54.18 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 -0.10 -0.17 1.49 -0.35 0.02 0.00 0.00 175.26 176.15 1xuv n PRO 95 N 3.83 2.67 -0.07 4.30 -0.04 -1.26 -4.97 135.00 139.46 1xuv n PRO 95 Ca 0.08 -3.58 -0.12 0.00 -0.04 0.00 0.00 63.50 59.84 1xuv n PRO 95 Cb 0.48 -2.09 -0.11 0.00 -0.04 0.00 0.00 33.50 31.74 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 1.65 0.00 -2.25 0.54 4.39 -0.46 -3.40 114.58 115.04 1xuv h GLU 96 Ca 0.36 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.24 1xuv h GLU 96 Cb 1.45 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.00 1xuv h GLU 96 CO 0.79 0.84 0.52 -0.98 -1.16 0.00 0.00 179.01 179.02 1xuv s ARG 97 N -2.13 1.05 -0.03 2.33 1.70 -0.59 -1.26 118.95 120.02 1xuv s ARG 97 Ca -0.17 -0.55 -0.01 0.00 -0.47 0.00 0.00 55.73 54.53 1xuv s ARG 97 Cb -0.02 0.38 0.03 0.00 -0.57 0.00 0.00 34.95 34.77 1xuv s ARG 97 CO 0.58 -0.48 0.06 0.42 -1.08 0.00 0.00 175.30 174.79 1xuv s ILE 98 N -3.17 -0.07 -0.10 4.99 1.01 -0.28 -1.51 121.20 122.06 1xuv s ILE 98 Ca 0.11 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.01 1xuv s ILE 98 Cb -0.01 -0.12 0.02 0.00 0.01 0.00 0.00 42.46 42.36 1xuv s ILE 98 CO -0.01 0.10 -0.12 -0.63 0.00 0.00 0.00 174.94 174.28 1xuv s ILE 99 N 1.24 1.24 0.21 2.92 1.01 0.11 -0.19 121.20 127.73 1xuv s ILE 99 Ca -0.07 -0.48 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 1xuv s ILE 99 Cb -0.13 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.22 1xuv s ILE 99 CO -0.04 0.39 0.60 -0.94 0.00 0.00 0.00 174.94 174.95 1xuv s SER 100 N 1.12 -0.34 0.57 3.58 1.04 -0.56 0.13 113.70 119.24 1xuv s SER 100 Ca -0.05 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 55.92 1xuv s SER 100 Cb -0.14 0.63 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 1xuv s SER 100 CO -0.02 -1.12 0.88 0.42 0.98 0.00 0.00 173.24 174.38 1xuv s THR 101 N -3.86 3.98 -0.15 2.02 -4.23 -0.20 -0.52 115.64 112.68 1xuv s THR 101 Ca 0.08 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.60 1xuv s THR 101 Cb -0.02 -3.56 0.06 0.00 1.34 0.00 0.00 72.50 70.31 1xuv s THR 101 CO -0.03 -0.58 0.35 0.12 -0.54 0.00 0.00 174.62 173.95 1xuv s PHE 102 N -2.94 -0.54 -0.02 3.99 2.19 -0.14 -3.83 117.98 116.69 1xuv s PHE 102 Ca 0.52 1.16 0.01 0.00 0.33 0.00 0.00 56.93 58.95 1xuv s PHE 102 Cb -0.10 0.19 0.02 0.00 -1.31 0.00 0.00 43.02 41.81 1xuv s PHE 102 CO 0.45 -0.33 -0.01 -2.00 1.83 0.00 0.00 175.22 175.16 1xuv s GLU 103 N 1.63 0.31 -0.35 10.12 2.12 0.27 -1.40 118.70 131.40 1xuv s GLU 103 Ca -0.07 0.01 -0.17 0.00 0.36 0.00 0.00 54.97 55.10 1xuv s GLU 103 Cb -0.10 -0.42 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 1xuv s GLU 103 CO -0.11 -0.07 0.44 0.12 -0.54 0.00 0.00 175.26 175.10 1xuv s PHE 104 N 0.65 3.20 -1.50 5.30 5.36 -1.26 -1.62 117.98 128.10 1xuv s PHE 104 Ca -0.07 0.07 0.20 0.00 -0.96 0.00 0.00 56.93 56.18 1xuv s PHE 104 Cb -0.10 -2.79 1.02 0.00 -0.34 0.00 0.00 43.02 40.81 1xuv s PHE 104 CO -0.01 -0.48 1.61 0.39 -1.46 0.00 0.00 175.22 175.26 1xuv n GLU 105 N 5.56 0.33 0.00 10.12 1.02 0.06 -3.28 120.64 134.44 1xuv n GLU 105 Ca -0.07 0.09 0.15 0.00 -0.02 0.00 0.00 57.16 57.31 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 0.37 -0.46 3.80 0.62 0.00 -1.26 -4.89 105.19 103.37 1xuv n GLY 106 Ca 0.10 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.03 3.95 0.14 0.99 1.43 -1.21 -4.98 118.68 116.98 1xuv s LEU 107 Ca 0.42 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 55.24 1xuv s LEU 107 Cb 0.21 -4.47 -0.01 0.00 0.03 0.00 0.00 46.19 41.95 1xuv s LEU 107 CO 0.36 -0.54 1.54 1.55 0.23 0.00 0.00 176.35 179.49 1xuv h PRO 108 N 1.91 0.90 -5.69 1.29 0.13 -1.94 -3.43 132.00 125.17 1xuv h PRO 108 Ca -0.49 -0.36 -0.67 0.00 -0.87 0.00 0.00 66.00 63.61 1xuv h PRO 108 Cb 1.20 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 1xuv h PRO 108 CO 0.61 1.01 -0.50 -1.21 -0.23 0.00 0.00 178.00 177.67 1xuv s GLU 109 N -4.73 3.37 0.62 0.86 2.02 -1.26 -5.10 118.70 114.48 1xuv s GLU 109 Ca -0.12 -0.17 -0.06 0.00 0.02 0.00 0.00 54.97 54.64 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 0.85 0.77 0.94 0.15 0.02 0.00 0.00 175.26 177.98 1xuv s LYS 110 N -1.00 2.73 0.00 1.61 -0.14 -1.26 -4.44 119.74 117.23 1xuv s LYS 110 Ca 0.15 -0.06 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 1xuv s LYS 110 Cb -0.12 -2.24 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 1xuv s LYS 110 CO 0.04 -0.85 0.00 0.41 -0.76 0.00 0.00 175.35 174.18 1xuv n GLY 111 N -2.69 0.08 3.47 -3.33 0.00 -1.26 -5.02 105.19 96.44 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 2.65 0.01 1.61 3.76 -1.26 -4.98 115.29 115.06 1xuv s HIS 112 Ca 0.00 -0.57 0.08 0.00 -0.15 0.00 0.00 55.06 54.42 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 -1.71 -0.25 0.08 -0.85 0.00 0.00 174.74 172.02 1xuv s VAL 113 N 4.21 1.96 0.08 -0.90 1.01 -1.26 -4.60 120.40 120.90 1xuv s VAL 113 Ca 0.26 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 61.12 1xuv s VAL 113 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1xuv s VAL 113 CO 0.08 0.44 -0.12 -0.63 0.00 0.00 0.00 175.10 174.86 1xuv s ILE 114 N -0.68 3.21 -0.24 2.22 1.01 -0.49 -4.08 121.20 122.15 1xuv s ILE 114 Ca 0.10 -1.21 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 1xuv s ILE 114 Cb -0.09 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 1xuv s ILE 114 CO 0.00 0.20 0.04 -0.22 0.00 0.00 0.00 174.94 174.97 1xuv s LEU 115 N -1.91 3.30 -0.09 2.97 2.96 -0.63 -0.96 118.68 124.32 1xuv s LEU 115 Ca 0.19 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1xuv s LEU 115 Cb -0.11 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1xuv s LEU 115 CO 0.10 -0.02 -0.01 -1.81 -1.32 0.00 0.00 176.35 173.29 1xuv s ASP 116 N 1.53 5.15 -0.16 3.68 1.01 0.32 -1.43 116.67 126.78 1xuv s ASP 116 Ca 0.06 0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.42 1xuv s ASP 116 Cb -0.15 -1.48 0.04 0.00 1.01 0.00 0.00 42.92 42.34 1xuv s ASP 116 CO 0.02 0.35 -0.04 -0.89 0.21 0.00 0.00 175.17 174.82 1xuv s THR 117 N -0.74 1.02 -0.20 -1.27 2.01 -0.14 -1.50 115.64 114.82 1xuv s THR 117 Ca 0.11 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1xuv s THR 117 Cb -0.12 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1xuv s THR 117 CO 0.02 0.13 -0.00 0.00 -0.69 0.00 0.00 174.62 174.08 1xuv s ALA 118 N 1.67 3.02 -0.11 7.40 0.00 0.73 -0.02 121.76 134.44 1xuv s ALA 118 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1xuv s ALA 118 Cb -0.15 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 1xuv s ALA 118 CO -0.08 -0.15 -0.12 0.50 0.00 0.00 0.00 175.76 175.91 1xuv s ARG 119 N 1.00 3.22 -0.23 0.00 3.52 -0.15 -1.13 118.95 125.17 1xuv s ARG 119 Ca 0.02 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1xuv s ARG 119 Cb -0.14 -2.60 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 1xuv s ARG 119 CO 0.02 0.31 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.69 1xuv s PHE 120 N 0.10 2.99 -0.05 5.12 0.40 -0.39 -1.22 117.98 124.94 1xuv s PHE 120 Ca -0.06 -1.28 0.06 0.00 -0.60 0.00 0.00 56.93 55.05 1xuv s PHE 120 Cb -0.15 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 1xuv s PHE 120 CO 0.04 -0.66 -0.23 -2.00 0.70 0.00 0.00 175.22 173.08 1xuv s GLU 121 N 1.39 2.34 0.43 0.44 2.56 -0.51 -4.60 118.70 120.75 1xuv s GLU 121 Ca 0.03 -0.83 -0.24 0.00 0.00 0.00 0.00 54.97 53.93 1xuv s GLU 121 Cb -0.15 -2.00 -0.08 0.00 2.00 0.00 0.00 34.13 33.90 1xuv s GLU 121 CO -0.05 0.35 1.14 0.00 -0.56 0.00 0.00 175.26 176.15 1xuv s ALA 122 N -0.12 3.06 0.25 6.30 0.00 -1.26 -0.97 121.76 129.01 1xuv s ALA 122 Ca -0.03 0.90 0.08 0.00 0.00 0.00 0.00 51.96 52.90 1xuv s ALA 122 Cb -0.13 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1xuv s ALA 122 CO 0.03 -0.52 -0.11 -0.51 0.00 0.00 0.00 175.76 174.65 1xuv s LEU 123 N -2.76 2.53 0.31 0.00 1.43 0.28 -4.85 118.68 115.62 1xuv s LEU 123 Ca 0.60 -1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 1xuv s LEU 123 Cb -0.28 -0.71 -0.11 0.00 0.03 0.00 0.00 46.19 45.12 1xuv s LEU 123 CO 0.35 -0.23 1.59 -2.16 0.23 0.00 0.00 176.35 176.13 1xuv s PRO 124 N -3.67 4.11 0.00 1.29 0.04 -1.26 -2.44 135.00 133.07 1xuv s PRO 124 Ca 0.27 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 1.93 1.15 3.91 0.56 0.00 -1.26 -4.16 105.19 107.31 1xuv n GLY 125 Ca 0.07 -0.46 -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 1.04 -3.50 -4.90 1.61 8.00 -1.10 -4.92 116.55 112.78 1xuv n ASP 126 Ca 0.00 -0.83 -0.25 0.00 0.71 0.00 0.00 54.79 54.41 1xuv n ASP 126 Cb 0.26 -3.72 -0.01 0.00 -0.02 0.00 0.00 41.12 37.63 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 0.01 -1.24 0.52 -1.02 -1.82 118.95 111.16 1xuv s ARG 127 Ca 0.48 -1.95 0.02 0.00 -0.52 0.00 0.00 55.73 53.75 1xuv s ARG 127 Cb -0.24 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 1xuv s ARG 127 CO 0.84 -0.58 -0.06 0.99 0.02 0.00 0.00 175.30 176.51 1xuv s THR 128 N -2.74 0.47 -0.19 0.02 2.01 -0.65 -0.55 115.64 114.01 1xuv s THR 128 Ca 0.37 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1xuv s THR 128 Cb -0.02 -0.46 0.03 0.00 0.01 0.00 0.00 72.50 72.06 1xuv s THR 128 CO 0.23 -0.07 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.15 1xuv s LYS 129 N -0.69 2.86 -0.21 4.92 2.20 -0.14 -0.23 119.74 128.45 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 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1xuv s LYS 129 CO 0.00 -0.27 0.08 -1.17 -0.36 0.00 0.00 175.35 173.64 1xuv s LEU 130 N 1.27 3.74 -0.29 5.43 2.96 0.12 -1.42 118.68 130.48 1xuv s LEU 130 Ca 0.03 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1xuv s LEU 130 Cb -0.14 -1.98 0.07 0.00 0.50 0.00 0.00 46.19 44.64 1xuv s LEU 130 CO -0.12 0.09 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.07 1xuv s THR 131 N 0.89 2.45 -0.15 3.68 2.01 -0.35 -1.03 115.64 123.14 1xuv s THR 131 Ca 0.04 -1.71 -0.12 0.00 0.31 0.00 0.00 61.69 60.21 1xuv s THR 131 Cb -0.14 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 1xuv s THR 131 CO 0.03 -0.17 0.25 -0.44 -0.69 0.00 0.00 174.62 173.59 1xuv s SER 132 N 1.14 6.41 -0.23 3.53 0.01 0.70 -0.98 113.70 124.29 1xuv s SER 132 Ca -0.04 0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.72 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 0.10 2.84 -0.30 2.43 2.46 0.96 -0.80 115.29 123.00 1xuv s HIS 133 Ca 0.15 -1.95 -0.07 0.00 0.47 0.00 0.00 55.06 53.66 1xuv s HIS 133 Cb -0.13 -1.80 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 0.00 174.74 170.45 1xuv s SER 134 N 1.25 5.15 -0.24 9.88 0.01 0.28 -0.96 113.70 129.06 1xuv s SER 134 Ca -0.04 -0.72 -0.06 0.00 1.31 0.00 0.00 55.95 56.43 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 -0.20 0.04 -0.69 0.41 0.00 0.00 173.24 172.73 1xuv s VAL 135 N 1.50 4.01 0.38 3.43 1.01 -0.52 -0.57 120.40 129.64 1xuv s VAL 135 Ca 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1xuv s VAL 135 Cb -0.17 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1xuv s VAL 135 CO 0.03 0.36 0.57 -0.36 0.00 0.00 0.00 175.10 175.69 1xuv s PHE 136 N 1.57 3.33 0.22 5.22 0.08 0.02 -1.60 117.98 126.81 1xuv s PHE 136 Ca 0.06 0.19 -0.08 0.00 0.12 0.00 0.00 56.93 57.22 1xuv s PHE 136 Cb -0.15 -2.05 0.16 0.00 -0.57 0.00 0.00 43.02 40.41 1xuv s PHE 136 CO 0.01 -0.07 1.79 0.37 -0.10 0.00 0.00 175.22 177.23 1xuv h GLN 137 N 0.66 1.20 -3.82 0.44 5.75 -1.85 -3.46 115.11 114.03 1xuv h GLN 137 Ca -0.48 -0.20 -0.09 0.00 -0.15 0.00 0.00 58.65 57.72 1xuv h GLN 137 Cb 1.24 -0.20 -0.13 0.00 1.07 0.00 0.00 27.48 29.46 1xuv h GLN 137 CO 0.58 0.95 -0.32 0.95 -2.65 0.00 0.00 178.83 178.34 1xuv s THR 138 N -5.60 0.10 0.26 2.39 -4.23 -1.26 -5.03 115.64 102.26 1xuv s THR 138 Ca -0.12 -1.26 -0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1xuv s THR 138 Cb 0.16 -1.60 0.26 0.00 1.34 0.00 0.00 72.50 72.65 1xuv s THR 138 CO 0.84 -0.44 1.89 0.16 -0.54 0.00 0.00 174.62 176.53 1xuv h ILE 139 N 2.61 1.14 -0.84 2.99 3.07 -1.88 -1.85 117.51 122.75 1xuv h ILE 139 Ca -0.33 -0.41 -0.02 0.00 1.55 0.00 0.00 64.86 65.65 1xuv h ILE 139 Cb 1.22 -0.17 -0.04 0.00 -0.27 0.00 0.00 36.82 37.56 1xuv h ILE 139 CO 0.51 0.22 0.46 1.05 -1.05 0.00 0.00 178.15 179.34 1xuv h GLU 140 N 1.20 1.18 -0.71 0.16 9.09 -1.96 0.16 114.58 123.70 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 0.87 0.47 -0.44 0.05 0.00 0.00 179.01 179.82 1xuv h ASP 141 N 1.18 0.80 -0.21 3.06 3.45 -1.77 0.50 116.42 123.43 1xuv h ASP 141 Ca 0.30 -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 38.61 1xuv h ASP 141 CO -0.05 0.57 0.13 -0.09 -1.57 0.00 0.00 179.24 178.23 1xuv h ARG 142 N 0.94 0.29 -0.31 3.56 1.12 -0.57 -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 -0.08 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.81 1xuv h ARG 142 CO -0.07 0.24 0.19 -0.44 -3.11 0.00 0.00 179.97 176.78 1xuv h ASP 143 N 0.25 0.37 0.00 -3.80 3.45 0.03 -2.90 116.42 113.83 1xuv h ASP 143 Ca 0.08 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1xuv h ASP 143 Cb 0.03 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1xuv h ASP 143 CO -0.01 0.31 0.00 0.61 -1.57 0.00 0.00 179.24 178.58 1xuv n GLY 144 N -1.07 0.00 0.86 2.75 0.00 0.17 -1.57 105.19 106.32 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 -2.34 117.00 120.47 1xuv n LEU 146 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1xuv n LEU 146 Cb 0.00 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 41.89 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 -0.91 3.23 4.20 -1.59 -2.00 115.11 118.04 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 -4.09 1.07 -2.61 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 0.09 -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 0.11 -5.17 1.57 0.23 0.00 -0.75 -4.95 105.19 96.23 1xuv n GLY 149 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 46.02 47.78 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 1.76 0.00 -0.06 1.61 2.13 -1.26 -1.98 120.64 122.84 1xuv n GLU 151 Ca -0.41 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.23 1xuv n GLU 151 Cb 0.64 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.22 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 0.05 -0.75 5.31 4.57 -1.94 -3.21 114.58 118.61 1xuv h GLU 152 Ca 0.00 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1xuv h GLU 152 Cb 0.00 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1xuv h GLU 152 CO 0.00 1.04 0.48 0.78 -1.18 0.00 0.00 179.01 180.14 1xuv h GLY 153 N -0.83 1.08 0.92 1.92 0.00 -1.76 -1.81 103.07 102.59 1xuv h GLY 153 Ca -0.15 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.83 1xuv h GLY 153 CO -0.05 0.33 0.52 1.19 0.00 0.00 0.00 176.54 178.54 1xuv h ILE 154 N 0.96 1.15 -0.85 2.60 6.09 -1.84 -0.90 117.51 124.71 1xuv h ILE 154 Ca 0.29 -0.35 -0.02 0.00 -1.37 0.00 0.00 64.86 63.41 1xuv h ILE 154 Cb -0.02 0.03 -0.04 0.00 0.47 0.00 0.00 36.82 37.25 1xuv h ILE 154 CO -0.10 0.19 0.44 0.78 -3.07 0.00 0.00 178.15 176.40 1xuv h ASN 155 N 1.03 1.09 0.13 2.19 2.35 -1.40 -1.65 115.58 119.32 1xuv h ASN 155 Ca 0.31 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1xuv h ASN 155 Cb -0.03 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.06 1xuv h ASN 155 CO -0.10 0.89 -0.06 0.44 -1.65 0.00 0.00 177.43 176.95 1xuv h ASP 156 N 1.20 -0.15 -0.49 5.81 3.32 -0.54 -2.08 116.42 123.48 1xuv h ASP 156 Ca 0.30 -0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1xuv h ASP 156 Cb 0.07 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 1xuv h ASP 156 CO -0.04 0.12 0.16 0.77 -1.72 0.00 0.00 179.24 178.53 1xuv h SER 157 N -0.43 0.15 -0.20 6.45 4.64 -1.05 0.19 113.55 123.30 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 0.34 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1xuv h SER 157 CO 0.03 0.11 0.08 1.88 -0.87 0.00 0.00 176.83 178.06 1xuv h TYR 158 N 0.33 0.37 -0.29 4.77 0.99 -1.27 0.30 116.97 122.17 1xuv h TYR 158 Ca 0.24 -0.01 -0.16 0.00 2.00 0.00 0.00 58.73 60.80 1xuv h TYR 158 Cb 0.27 -0.12 -0.00 0.00 1.00 0.00 0.00 36.73 37.88 1xuv h TYR 158 CO -0.17 0.32 -0.43 0.93 -0.00 0.00 0.00 178.16 178.80 1xuv h GLU 159 N 0.37 0.80 -0.61 4.88 5.08 -0.38 -0.63 114.58 124.10 1xuv h GLU 159 Ca 0.09 -0.48 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1xuv h GLU 159 Cb 0.12 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1xuv h GLU 159 CO -0.01 1.11 0.27 0.00 -1.00 0.00 0.00 179.01 179.38 1xuv h ARG 160 N 0.57 0.87 -0.53 2.33 3.08 0.48 -2.12 114.38 119.06 1xuv h ARG 160 Ca 0.03 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1xuv h ARG 160 Cb 1.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1xuv h ARG 160 CO 0.10 0.70 -0.07 1.25 -1.07 0.00 0.00 179.97 180.88 1xuv h LEU 161 N 0.87 0.95 -0.21 3.04 5.85 -0.14 -1.73 115.31 123.95 1xuv h LEU 161 Ca 0.21 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1xuv h LEU 161 Cb 0.13 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1xuv h LEU 161 CO -0.02 1.04 -0.06 0.44 -0.34 0.00 0.00 178.44 179.49 1xuv h ASP 162 N 0.87 -0.23 -0.73 1.25 3.45 -0.46 0.26 116.42 120.83 1xuv h ASP 162 Ca 0.15 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1xuv h ASP 162 Cb 0.60 0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 39.48 1xuv h ASP 162 CO 0.04 -0.08 0.46 -0.33 -1.57 0.00 0.00 179.24 177.76 1xuv h GLU 163 N -0.02 0.98 -0.50 3.56 5.08 -1.20 -2.10 114.58 120.38 1xuv h GLU 163 Ca 0.10 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1xuv h GLU 163 Cb 0.18 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1xuv h GLU 163 CO -0.22 0.68 -0.03 1.25 -1.00 0.00 0.00 179.01 179.68 1xuv h LEU 164 N 1.00 0.89 -1.21 1.33 5.85 -0.82 -2.77 115.31 119.58 1xuv h LEU 164 Ca 0.27 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1xuv h LEU 164 Cb -0.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.68 1xuv h LEU 164 CO -0.05 1.00 0.54 -0.07 -0.34 0.00 0.00 178.44 179.51 1xuv h LEU 165 N 0.76 0.91 -0.76 2.25 3.38 -0.13 -1.88 115.31 119.84 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 0.56 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1xuv h LEU 165 CO 0.03 0.65 0.35 -0.33 0.09 0.00 0.00 178.44 179.23 1xuv h GLU 166 N 1.07 1.10 -1.16 1.13 4.39 -1.15 0.13 114.58 120.09 1xuv h GLU 166 Ca 0.31 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1xuv h GLU 166 Cb -0.07 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.39 1xuv h GLU 166 CO -0.08 0.87 0.00 1.63 -1.16 0.00 0.00 179.01 180.27 1xuv n LYS 167 N -4.37 0.24 0.00 2.33 5.02 -0.71 -0.71 118.16 119.95 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 0.15 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 0.68 0.00 -0.18 1.97 5.02 0.45 -1.28 118.16 124.83 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 0.10 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 0.69 0.00 1.97 1.79 -1.17 -1.30 116.57 118.56 1xuv h LYS 170 Ca 0.00 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1xuv h LYS 170 Cb 0.00 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1xuv h LYS 170 CO 0.00 0.47 -0.22 1.25 -1.08 0.00 0.00 179.45 179.87 1xuv h LEU 171 N 0.71 0.00 0.00 2.94 7.12 -1.44 -3.30 115.31 121.34 1xuv h LEU 171 Ca 0.19 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1xuv h LEU 171 Cb -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 1xuv h LEU 171 CO -0.04 0.22 0.00 1.21 -0.13 0.00 0.00 178.44 179.70 1xuv n GLU 172 N -4.22 0.00 0.00 1.25 4.07 -0.49 -5.23 120.64 116.02 1xuv n GLU 172 Ca -0.02 0.19 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 1xuv n GLU 172 Cb 0.28 -1.02 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