#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iuv n GLU 8 N 0.00 0.00 0.16 -0.52 -0.58 -1.26 -4.81 120.64 113.63 3iuv n GLU 8 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 3iuv n GLU 8 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 3iuv n GLU 8 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3iuv h ARG 9 N 0.00 -0.45 0.00 3.49 9.65 -2.04 -3.10 114.38 121.93 3iuv h ARG 9 Ca 0.00 0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 3iuv h ARG 9 Cb 0.00 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 3iuv h ARG 9 CO 0.00 -0.13 -0.21 0.07 2.80 0.00 0.00 179.97 182.50 3iuv h ARG 10 N -0.92 0.00 -0.03 0.20 0.11 -1.97 -2.73 114.38 109.04 3iuv h ARG 10 Ca -0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 3iuv h ARG 10 Cb 0.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.61 3iuv h ARG 10 CO 0.08 0.21 -0.03 0.37 0.10 0.00 0.00 179.97 180.70 3iuv h GLN 11 N 0.00 0.07 -0.90 0.08 5.75 -1.88 -1.54 115.11 116.70 3iuv h GLN 11 Ca -0.00 -0.04 0.17 0.00 -0.15 0.00 0.00 58.65 58.63 3iuv h GLN 11 Cb 0.81 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.26 3iuv h GLN 11 CO 0.03 0.53 0.48 0.00 -2.65 0.00 0.00 178.83 177.22 3iuv h ARG 12 N -0.38 0.63 0.71 1.69 3.08 -1.42 0.19 114.38 118.89 3iuv h ARG 12 Ca 0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3iuv h ARG 12 Cb 0.51 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.43 3iuv h ARG 12 CO 0.01 0.42 -0.34 0.82 -1.07 0.00 0.00 179.97 179.80 3iuv h ILE 13 N 0.65 0.26 -0.69 2.04 2.04 -1.36 -1.28 117.51 119.17 3iuv h ILE 13 Ca 0.51 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 66.35 3iuv h ILE 13 Cb 0.76 0.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 3iuv h ILE 13 CO -0.38 0.01 0.33 0.40 0.00 0.00 0.00 178.15 178.51 3iuv h ILE 14 N -1.04 0.84 -0.77 -0.67 2.04 -0.45 0.78 117.51 118.24 3iuv h ILE 14 Ca -0.10 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3iuv h ILE 14 Cb 0.75 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3iuv h ILE 14 CO 0.16 0.10 0.45 0.44 0.00 0.00 0.00 178.15 179.31 3iuv h ASP 15 N 0.57 0.94 -0.47 1.72 3.32 -0.62 0.24 116.42 122.12 3iuv h ASP 15 Ca 0.34 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3iuv h ASP 15 Cb 0.36 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3iuv h ASP 15 CO -0.27 0.74 0.18 0.00 -1.72 0.00 0.00 179.24 178.18 3iuv h ALA 16 N 1.24 0.61 -0.45 3.45 0.00 -0.13 0.44 119.26 124.43 3iuv h ALA 16 Ca 0.28 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3iuv h ALA 16 Cb -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3iuv h ALA 16 CO -0.05 0.23 0.14 0.00 0.00 0.00 0.00 179.25 179.57 3iuv h ALA 17 N 1.03 0.52 -0.32 0.00 0.00 -0.16 0.16 119.26 120.49 3iuv h ALA 17 Ca 0.16 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3iuv h ALA 17 Cb 0.21 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3iuv h ALA 17 CO -0.01 -0.26 -0.29 0.82 0.00 0.00 0.00 179.25 179.51 3iuv h ILE 18 N 0.29 0.30 -0.54 0.00 2.04 0.18 -2.57 117.51 117.21 3iuv h ILE 18 Ca 0.21 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.96 3iuv h ILE 18 Cb 0.23 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3iuv h ILE 18 CO -0.24 0.00 -0.11 0.03 0.00 0.00 0.00 178.15 177.84 3iuv h ARG 19 N -0.26 1.01 -0.91 2.37 3.08 0.22 -2.80 114.38 117.09 3iuv h ARG 19 Ca 0.15 -0.37 0.17 0.00 0.07 0.00 0.00 59.98 60.01 3iuv h ARG 19 Cb 0.51 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 3iuv h ARG 19 CO -0.47 1.06 0.59 0.28 -1.07 0.00 0.00 179.97 180.36 3iuv h VAL 20 N 0.90 0.75 0.05 2.04 2.07 -0.36 -3.15 116.25 118.55 3iuv h VAL 20 Ca 0.14 -0.20 -0.21 0.00 0.82 0.00 0.00 66.70 67.25 3iuv h VAL 20 Cb 0.67 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3iuv h VAL 20 CO 0.05 0.11 -1.11 -0.37 0.02 0.00 0.00 177.57 176.27 3iuv h VAL 21 N 0.59 1.12 0.00 2.57 -1.51 -1.19 0.41 116.25 118.23 3iuv h VAL 21 Ca 0.48 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.64 3iuv h VAL 21 Cb 0.93 2.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.73 3iuv h VAL 21 CO -0.22 0.54 0.00 0.61 -1.23 0.00 0.00 177.57 177.27 3iuv n GLY 22 N 1.61 -0.80 0.00 5.19 0.00 -1.20 0.39 105.19 110.38 3iuv n GLY 22 Ca -0.25 0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.87 3iuv n GLY 22 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3iuv n GLN 23 N -1.84 3.15 0.00 1.61 0.00 -1.19 -4.74 117.38 114.37 3iuv n GLN 23 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 3iuv n GLN 23 Cb 0.07 -0.94 0.00 0.00 0.00 0.00 0.00 30.24 29.37 3iuv n GLN 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3iuv n LYS 24 N -1.37 0.00 -0.52 3.69 4.76 0.14 -5.05 118.16 119.83 3iuv n LYS 24 Ca 0.00 -0.10 0.07 0.00 -2.87 0.00 0.00 58.31 55.42 3iuv n LYS 24 Cb 0.13 -0.25 -0.02 0.00 -1.84 0.00 0.00 35.03 33.05 3iuv n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iuv n GLY 25 N 0.00 -2.02 0.48 0.72 0.00 1.27 -2.15 105.19 103.48 3iuv n GLY 25 Ca 0.00 -1.35 0.30 0.00 0.00 0.00 0.00 46.02 44.97 3iuv n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3iuv h ILE 26 N -0.48 0.44 -0.00 -0.61 6.09 -1.94 -1.90 117.51 119.10 3iuv h ILE 26 Ca 0.01 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 3iuv h ILE 26 Cb 0.47 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.02 3iuv h ILE 26 CO 0.00 0.03 -0.53 0.00 -3.07 0.00 0.00 178.15 174.59 3iuv n ALA 27 N -2.63 3.66 -0.01 0.18 0.00 -1.26 -4.00 120.51 116.45 3iuv n ALA 27 Ca 0.26 -0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.36 3iuv n ALA 27 Cb 1.11 -1.02 0.25 0.00 0.00 0.00 0.00 19.45 19.79 3iuv n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iuv n GLY 28 N 1.45 2.08 3.04 0.00 0.00 -0.71 -4.91 105.19 106.13 3iuv n GLY 28 Ca 0.08 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3iuv n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iuv s LEU 29 N -1.23 2.57 0.06 0.99 0.20 -1.25 -4.86 118.68 115.17 3iuv s LEU 29 Ca 0.41 -0.98 -0.06 0.00 0.69 0.00 0.00 54.13 54.19 3iuv s LEU 29 Cb 0.23 -1.37 -0.01 0.00 -0.43 0.00 0.00 46.19 44.60 3iuv s LEU 29 CO 0.31 -0.13 0.12 -0.94 -0.29 0.00 0.00 176.35 175.42 3iuv s SER 30 N 1.29 0.20 0.23 3.68 1.04 -1.26 -4.98 113.70 113.91 3iuv s SER 30 Ca -0.02 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3iuv s SER 30 Cb -0.17 0.28 0.53 0.00 0.10 0.00 0.00 66.02 66.76 3iuv s SER 30 CO -0.08 -0.63 1.17 1.41 0.98 0.00 0.00 173.24 176.08 3iuv n HIS 31 N 0.24 0.44 0.02 5.02 8.25 -1.26 0.92 115.22 128.85 3iuv n HIS 31 Ca -0.16 0.90 -0.07 0.00 -0.26 0.00 0.00 57.72 58.14 3iuv n HIS 31 Cb 0.61 -1.04 0.11 0.00 1.12 0.00 0.00 29.99 30.79 3iuv n HIS 31 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3iuv h ARG 32 N 0.00 0.47 0.12 -0.41 2.43 -1.96 0.14 114.38 115.18 3iuv h ARG 32 Ca 0.44 -0.26 -0.30 0.00 -0.81 0.00 0.00 59.98 59.05 3iuv h ARG 32 Cb 0.87 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3iuv h ARG 32 CO -0.72 0.84 -1.44 1.15 -1.51 0.00 0.00 179.97 178.29 3iuv h THR 33 N 0.38 1.26 -0.56 0.20 2.02 0.20 -1.63 112.91 114.77 3iuv h THR 33 Ca 0.02 -2.88 -0.08 0.00 0.77 0.00 0.00 66.41 64.25 3iuv h THR 33 Cb 0.96 2.82 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 3iuv h THR 33 CO 0.08 0.84 0.04 0.58 0.37 0.00 0.00 175.52 177.44 3iuv h VAL 34 N 0.07 1.25 0.13 3.16 2.07 -0.58 -1.13 116.25 121.23 3iuv h VAL 34 Ca -0.21 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3iuv h VAL 34 Cb 2.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 3iuv h VAL 34 CO 0.18 0.37 -0.06 0.00 0.02 0.00 0.00 177.57 178.08 3iuv h ALA 35 N 1.17 -0.18 -0.04 1.67 0.00 -0.62 -0.97 119.26 120.29 3iuv h ALA 35 Ca 0.17 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iuv h ALA 35 Cb 0.45 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3iuv h ALA 35 CO 0.02 -0.56 -0.51 0.00 0.00 0.00 0.00 179.25 178.20 3iuv h ALA 36 N 0.59 -0.91 -0.45 0.00 0.00 -1.28 -1.04 119.26 116.16 3iuv h ALA 36 Ca -0.02 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3iuv h ALA 36 Cb 0.21 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3iuv h ALA 36 CO 0.03 -1.07 0.31 0.93 0.00 0.00 0.00 179.25 179.45 3iuv h GLU 37 N -0.61 0.17 -0.00 0.00 4.39 -1.07 -0.31 114.58 117.15 3iuv h GLU 37 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3iuv h GLU 37 Cb 0.67 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3iuv h GLU 37 CO -0.36 0.11 -0.34 0.00 -1.16 0.00 0.00 179.01 177.26 3iuv n ALA 38 N -2.57 3.21 -3.69 3.43 0.00 -0.38 -4.95 120.51 115.56 3iuv n ALA 38 Ca 0.07 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 3iuv n ALA 38 Cb 0.40 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.69 3iuv n ALA 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iuv n ASP 39 N -1.28 -5.35 -3.77 0.00 2.03 -0.13 -4.98 116.55 103.08 3iuv n ASP 39 Ca 0.08 -0.94 -0.13 0.00 0.52 0.00 0.00 54.79 54.32 3iuv n ASP 39 Cb 0.33 -2.97 -0.11 0.00 -0.72 0.00 0.00 41.12 37.66 3iuv n ASP 39 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3iuv s VAL 40 N -3.31 0.01 0.54 5.18 1.01 -0.99 -5.07 120.40 117.77 3iuv s VAL 40 Ca 0.32 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 3iuv s VAL 40 Cb -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 3iuv s VAL 40 CO 0.87 -0.05 1.33 -2.65 0.00 0.00 0.00 175.10 174.61 3iuv n PRO 41 N 2.64 1.66 -0.30 2.72 -0.02 -1.26 -4.49 135.00 135.96 3iuv n PRO 41 Ca -0.14 0.61 0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3iuv n PRO 41 Cb 0.57 -2.54 0.25 0.00 -0.02 0.00 0.00 33.50 31.77 3iuv n PRO 41 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iuv h LEU 42 N 1.43 0.41 -1.04 2.45 5.85 -1.91 -1.56 115.31 120.94 3iuv h LEU 42 Ca -0.50 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3iuv h LEU 42 Cb 1.31 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 3iuv h LEU 42 CO 0.57 0.11 0.64 1.23 -0.34 0.00 0.00 178.44 180.65 3iuv h GLY 43 N 0.51 1.52 0.91 3.75 0.00 -1.97 0.14 103.07 107.93 3iuv h GLY 43 Ca 0.50 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3iuv h GLY 43 CO -0.44 0.29 -0.20 1.76 0.00 0.00 0.00 176.54 177.95 3iuv h SER 44 N 1.10 -0.50 -0.71 0.19 0.02 -1.66 0.10 113.55 112.10 3iuv h SER 44 Ca 0.44 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.57 3iuv h SER 44 Cb 0.26 0.15 -0.13 0.00 0.14 0.00 0.00 62.40 62.82 3iuv h SER 44 CO -0.19 -0.32 -0.06 0.74 -1.14 0.00 0.00 176.83 175.86 3iuv h THR 45 N -0.51 0.35 0.00 -2.27 2.02 -0.63 -0.99 112.91 110.88 3iuv h THR 45 Ca -0.04 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 3iuv h THR 45 Cb 0.42 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3iuv h THR 45 CO 0.04 0.01 -0.90 0.71 0.37 0.00 0.00 175.52 175.76 3iuv h THR 46 N 0.07 0.85 -0.49 3.16 1.35 -0.57 -0.80 112.91 116.47 3iuv h THR 46 Ca 0.37 -2.31 -0.02 0.00 -0.55 0.00 0.00 66.41 63.90 3iuv h THR 46 Cb 0.62 2.35 -0.02 0.00 -1.73 0.00 0.00 68.15 69.36 3iuv h THR 46 CO -0.66 0.48 0.22 0.22 -0.25 0.00 0.00 175.52 175.53 3iuv h TYR 47 N 0.00 0.69 0.00 4.73 3.20 0.13 -2.48 116.97 123.23 3iuv h TYR 47 Ca -0.06 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.64 3iuv h TYR 47 Cb 1.52 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.54 3iuv h TYR 47 CO 0.00 0.52 -1.45 0.72 -1.64 0.00 0.00 178.16 176.31 3iuv n HIS 48 N -4.37 0.85 -3.48 -3.82 8.25 -0.46 -4.81 115.22 107.38 3iuv n HIS 48 Ca 0.04 0.28 -0.21 0.00 -0.26 0.00 0.00 57.72 57.57 3iuv n HIS 48 Cb 0.14 -1.02 -0.13 0.00 1.12 0.00 0.00 29.99 30.10 3iuv n HIS 48 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3iuv s PHE 49 N -3.01 -0.18 0.00 4.41 0.40 -0.31 -4.96 117.98 114.33 3iuv s PHE 49 Ca -0.03 -0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.05 3iuv s PHE 49 Cb 0.09 -0.54 -0.03 0.00 0.51 0.00 0.00 43.02 43.05 3iuv s PHE 49 CO 0.82 -0.76 0.78 0.00 0.70 0.00 0.00 175.22 176.76 3iuv h ALA 50 N 8.32 -0.75 -2.34 5.36 0.00 -1.83 -3.38 119.26 124.65 3iuv h ALA 50 Ca -0.16 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 54.21 3iuv h ALA 50 Cb 1.09 0.07 0.08 0.00 0.00 0.00 0.00 17.79 19.03 3iuv h ALA 50 CO 0.34 -0.74 0.37 0.95 0.00 0.00 0.00 179.25 180.17 3iuv s THR 51 N -2.84 3.88 0.22 0.00 -4.23 -1.26 -4.89 115.64 106.52 3iuv s THR 51 Ca -0.03 0.76 0.32 0.00 -1.18 0.00 0.00 61.69 61.56 3iuv s THR 51 Cb 0.00 -3.37 0.34 0.00 1.34 0.00 0.00 72.50 70.82 3iuv s THR 51 CO 0.08 -0.65 2.00 0.25 -0.54 0.00 0.00 174.62 175.77 3iuv h LEU 52 N -0.08 0.00 0.04 4.79 7.12 -2.00 -3.04 115.31 122.13 3iuv h LEU 52 Ca -0.45 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.55 3iuv h LEU 52 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 3iuv h LEU 52 CO 0.57 0.07 -0.02 0.44 -0.13 0.00 0.00 178.44 179.37 3iuv h ASP 53 N 0.00 -0.04 -0.94 1.25 3.45 -1.97 -2.96 116.42 115.21 3iuv h ASP 53 Ca -0.00 -0.26 0.15 0.00 0.43 0.00 0.00 57.03 57.35 3iuv h ASP 53 Cb 0.49 0.01 -0.08 0.00 -0.56 0.00 0.00 39.33 39.19 3iuv h ASP 53 CO 0.01 0.24 0.60 0.44 -1.57 0.00 0.00 179.24 178.95 3iuv h ASP 54 N -0.33 0.72 0.00 6.45 3.45 -1.91 2.62 116.42 127.42 3iuv h ASP 54 Ca -0.01 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3iuv h ASP 54 Cb 0.30 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 3iuv h ASP 54 CO 0.01 0.34 0.00 -0.11 -1.57 0.00 0.00 179.24 177.91 3iuv n LEU 55 N -4.61 0.14 0.00 1.55 0.00 -1.12 0.08 117.00 113.05 3iuv n LEU 55 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 56.01 56.13 3iuv n LEU 55 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 43.42 43.83 3iuv n LEU 55 CO 0.28 0.04 0.00 0.52 0.00 0.00 0.00 177.39 178.22 3iuv n VAL 57 N 0.23 0.00 -0.02 1.96 0.31 0.88 0.83 118.33 122.52 3iuv n VAL 57 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3iuv n VAL 57 Cb 0.04 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.89 3iuv n VAL 57 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iuv h ALA 58 N 0.00 0.10 -0.86 3.52 0.00 -0.55 -1.75 119.26 119.72 3iuv h ALA 58 Ca 0.00 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 54.98 3iuv h ALA 58 Cb 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.62 3iuv h ALA 58 CO 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 179.25 179.11 3iuv h ALA 59 N 0.76 1.08 0.03 0.00 0.00 0.24 -1.73 119.26 119.63 3iuv h ALA 59 Ca 0.02 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3iuv h ALA 59 Cb 0.30 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3iuv h ALA 59 CO 0.00 -0.47 -0.01 1.25 0.00 0.00 0.00 179.25 180.02 3iuv h LEU 60 N 0.13 -0.03 -1.88 0.00 7.12 -1.78 -3.24 115.31 115.63 3iuv h LEU 60 Ca 0.51 -0.49 0.47 0.00 0.13 0.00 0.00 57.88 58.49 3iuv h LEU 60 Cb 1.00 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 41.07 3iuv h LEU 60 CO -0.71 0.70 1.22 -0.09 -0.13 0.00 0.00 178.44 179.43 3iuv h ARG 61 N -0.98 0.00 -0.00 1.25 2.43 -0.86 2.35 114.38 118.57 3iuv h ARG 61 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3iuv h ARG 61 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3iuv h ARG 61 CO 0.01 0.00 -0.00 0.37 -1.51 0.00 0.00 179.97 178.84 3iuv h GLN 62 N 0.00 0.00 -0.15 0.20 4.15 -1.40 0.90 115.11 118.81 3iuv h GLN 62 Ca 0.76 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 60.21 3iuv h GLN 62 Cb 3.20 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 30.84 3iuv h GLN 62 CO -0.01 0.33 -0.36 0.00 -1.93 0.00 0.00 178.83 176.87 3iuv h ALA 63 N 0.67 -0.69 -1.11 3.38 0.00 0.38 0.80 119.26 122.69 3iuv h ALA 63 Ca 0.00 -0.03 0.42 0.00 0.00 0.00 0.00 54.91 55.30 3iuv h ALA 63 Cb 0.33 0.90 -0.16 0.00 0.00 0.00 0.00 17.79 18.87 3iuv h ALA 63 CO 0.00 -0.84 0.64 -0.91 0.00 0.00 0.00 179.25 178.14 3iuv h ASN 64 N -0.34 0.32 1.31 0.00 2.35 -0.84 0.29 115.58 118.66 3iuv h ASN 64 Ca 0.03 0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 3iuv h ASN 64 Cb 0.42 0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3iuv h ASN 64 CO -0.32 -0.34 -0.50 -0.33 -1.65 0.00 0.00 177.43 174.28 3iuv h GLU 65 N 0.05 0.00 -0.18 0.81 5.08 0.69 -2.92 114.58 118.12 3iuv h GLU 65 Ca 0.84 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.17 3iuv h GLU 65 Cb 2.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.56 3iuv h GLU 65 CO -0.66 0.50 0.02 0.78 -1.00 0.00 0.00 179.01 178.66 3iuv h GLY 66 N 3.12 0.32 0.97 -3.84 0.00 0.19 -2.67 103.07 101.16 3iuv h GLY 66 Ca -0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3iuv h GLY 66 CO 0.07 0.21 0.13 -2.75 0.00 0.00 0.00 176.54 174.19 3iuv h PHE 67 N 0.07 0.82 0.00 5.60 3.57 -1.54 -2.43 116.94 123.03 3iuv h PHE 67 Ca 0.05 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3iuv h PHE 67 Cb 0.34 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3iuv h PHE 67 CO 0.03 0.73 0.00 0.00 -2.23 0.00 0.00 178.31 176.83 3iuv n ALA 68 N -2.38 1.23 0.06 2.41 0.00 -1.10 -0.59 120.51 120.14 3iuv n ALA 68 Ca 0.01 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.64 3iuv n ALA 68 Cb 0.21 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 3iuv n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iuv n ARG 69 N -1.91 0.63 -0.02 0.00 1.74 -0.94 -1.35 116.66 114.81 3iuv n ARG 69 Ca 0.00 0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 3iuv n ARG 69 Cb 0.08 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 29.72 3iuv n ARG 69 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3iuv h VAL 70 N 0.00 1.33 0.41 1.55 2.07 -0.60 -2.84 116.25 118.16 3iuv h VAL 70 Ca -0.02 -1.94 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 3iuv h VAL 70 Cb 1.04 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3iuv h VAL 70 CO 0.00 0.60 -0.20 0.58 0.02 0.00 0.00 177.57 178.57 3iuv h VAL 71 N 0.29 0.57 0.00 2.57 2.07 -1.18 -2.23 116.25 118.34 3iuv h VAL 71 Ca -0.05 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3iuv h VAL 71 Cb 1.31 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3iuv h VAL 71 CO 0.14 0.07 0.12 0.00 0.02 0.00 0.00 177.57 177.91 3iuv h ALA 72 N -0.29 1.10 -0.01 1.67 0.00 -1.34 0.37 119.26 120.74 3iuv h ALA 72 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iuv h ALA 72 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iuv h ALA 72 CO 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 3iuv n ALA 73 N -1.83 2.64 -3.75 0.00 0.00 -0.85 -4.22 120.51 112.49 3iuv n ALA 73 Ca -0.02 -0.38 -0.28 0.00 0.00 0.00 0.00 53.44 52.75 3iuv n ALA 73 Cb 0.16 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 3iuv n ALA 73 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3iuv s HIS 74 N -2.05 2.61 0.37 0.00 3.76 0.13 -4.93 115.29 115.17 3iuv s HIS 74 Ca 0.39 -2.88 0.07 0.00 -0.15 0.00 0.00 55.06 52.49 3iuv s HIS 74 Cb 0.21 -2.14 0.71 0.00 1.11 0.00 0.00 32.58 32.47 3iuv s HIS 74 CO 0.36 -0.68 1.90 -1.35 -0.85 0.00 0.00 174.74 174.11 3iuv h PRO 75 N 5.89 0.36 -1.30 8.40 0.11 -1.73 -2.85 132.00 140.87 3iuv h PRO 75 Ca 0.11 -0.08 0.38 0.00 0.11 0.00 0.00 66.00 66.52 3iuv h PRO 75 Cb 0.84 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.85 3iuv h PRO 75 CO 0.58 0.45 1.03 0.00 -0.21 0.00 0.00 178.00 179.85 3iuv h ALA 76 N 1.59 3.20 -0.75 -0.75 0.00 -1.92 -1.69 119.26 118.93 3iuv h ALA 76 Ca 0.07 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3iuv h ALA 76 Cb 0.35 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3iuv h ALA 76 CO 0.02 -1.69 0.50 -0.07 0.00 0.00 0.00 179.25 178.00 3iuv h LEU 77 N 0.00 0.51 -0.34 0.00 3.38 -1.87 0.17 115.31 117.16 3iuv h LEU 77 Ca 0.62 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.60 3iuv h LEU 77 Cb 2.66 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 43.33 3iuv h LEU 77 CO -0.01 0.29 -0.26 -1.54 0.09 0.00 0.00 178.44 177.02 3iuv n SER 78 N -4.50 0.79 -4.59 -0.43 3.41 -0.64 -4.77 113.62 102.90 3iuv n SER 78 Ca 0.13 -0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 3iuv n SER 78 Cb 0.41 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 3iuv n SER 78 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iuv s ASP 79 N -2.59 6.54 0.52 4.04 2.15 0.59 -4.95 116.67 122.98 3iuv s ASP 79 Ca 0.23 0.37 0.28 0.00 0.43 0.00 0.00 52.55 53.86 3iuv s ASP 79 Cb 0.19 -2.38 1.44 0.00 -0.30 0.00 0.00 42.92 41.88 3iuv s ASP 79 CO 0.54 -0.67 2.06 -0.65 -0.17 0.00 0.00 175.17 176.28 3iuv h PRO 80 N 8.40 0.00 0.00 4.34 0.11 -1.86 -1.83 132.00 141.16 3iuv h PRO 80 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3iuv h PRO 80 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3iuv h PRO 80 CO 0.88 0.12 0.00 0.93 -0.21 0.00 0.00 178.00 179.72 3iuv h GLU 81 N 0.00 0.00 -6.82 1.05 4.39 -1.92 -3.46 114.58 107.82 3iuv h GLU 81 Ca -0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 3iuv h GLU 81 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3iuv h GLU 81 CO 0.01 0.00 0.13 0.00 -1.16 0.00 0.00 179.01 178.00 3iuv s ALA 82 N -3.30 3.30 -0.58 3.43 0.00 -0.69 -4.99 121.76 118.94 3iuv s ALA 82 Ca 0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.71 3iuv s ALA 82 Cb 0.08 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 3iuv s ALA 82 CO 0.60 0.14 1.66 0.34 0.00 0.00 0.00 175.76 178.50 3iuv s ASP 83 N -2.69 5.70 0.10 0.00 2.15 -1.26 -4.90 116.67 115.76 3iuv s ASP 83 Ca 0.54 0.35 -0.29 0.00 0.43 0.00 0.00 52.55 53.57 3iuv s ASP 83 Cb -0.10 -2.54 -0.12 0.00 -0.30 0.00 0.00 42.92 39.86 3iuv s ASP 83 CO 0.24 -2.04 1.63 0.25 -0.17 0.00 0.00 175.17 175.08 3iuv h LEU 84 N 14.73 -0.82 -0.27 -1.34 5.85 -1.92 -0.10 115.31 131.44 3iuv h LEU 84 Ca -0.27 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.59 3iuv h LEU 84 Cb 1.13 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 42.36 3iuv h LEU 84 CO 1.19 -0.43 -0.29 0.28 -0.34 0.00 0.00 178.44 178.85 3iuv h SER 85 N -0.62 -0.95 -0.47 1.25 0.02 -1.91 -1.18 113.55 109.68 3iuv h SER 85 Ca -0.01 0.16 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 3iuv h SER 85 Cb 0.58 0.43 -0.07 0.00 0.14 0.00 0.00 62.40 63.48 3iuv h SER 85 CO -0.07 -0.32 0.04 1.23 -1.14 0.00 0.00 176.83 176.57 3iuv h GLY 86 N -0.29 0.52 0.98 -3.77 0.00 -1.81 -1.03 103.07 97.67 3iuv h GLY 86 Ca 0.14 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 3iuv h GLY 86 CO -0.44 -0.10 0.12 0.83 0.00 0.00 0.00 176.54 176.95 3iuv h GLU 87 N 0.16 0.81 -0.61 4.80 4.39 -0.49 -2.56 114.58 121.08 3iuv h GLU 87 Ca 0.24 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 3iuv h GLU 87 Cb 0.34 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3iuv h GLU 87 CO -0.36 0.77 0.23 -0.07 -1.16 0.00 0.00 179.01 178.42 3iuv h LEU 88 N 0.70 0.86 -1.94 1.33 3.38 -0.93 -1.42 115.31 117.28 3iuv h LEU 88 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3iuv h LEU 88 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3iuv h LEU 88 CO 0.00 0.81 -0.11 0.00 0.09 0.00 0.00 178.44 179.23 3iuv h ALA 89 N 1.08 1.45 0.00 1.53 0.00 -0.97 -0.98 119.26 121.37 3iuv h ALA 89 Ca 0.20 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 3iuv h ALA 89 Cb 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3iuv h ALA 89 CO -0.01 0.14 -1.32 0.07 0.00 0.00 0.00 179.25 178.13 3iuv h ARG 90 N 0.00 0.00 0.05 0.00 -0.00 -1.07 -0.31 114.38 113.05 3iuv h ARG 90 Ca -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 3iuv h ARG 90 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.24 3iuv h ARG 90 CO 0.01 0.77 -0.02 0.28 -0.00 0.00 0.00 179.97 181.02 3iuv h VAL 91 N 0.00 1.09 -0.82 0.08 2.07 -0.59 -1.93 116.25 116.15 3iuv h VAL 91 Ca -0.13 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 67.00 3iuv h VAL 91 Cb 1.88 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.98 3iuv h VAL 91 CO 0.11 0.12 0.49 -0.07 0.02 0.00 0.00 177.57 178.23 3iuv h LEU 92 N -0.26 0.75 -0.97 2.57 3.38 -1.28 0.36 115.31 119.85 3iuv h LEU 92 Ca -0.01 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3iuv h LEU 92 Cb 0.24 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3iuv h LEU 92 CO 0.01 0.47 0.62 1.23 0.09 0.00 0.00 178.44 180.86 3iuv h GLY 93 N 0.88 1.46 0.32 0.83 0.00 -0.92 -2.35 103.07 103.29 3iuv h GLY 93 Ca 0.37 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3iuv h GLY 93 CO -0.19 0.34 -0.10 0.83 0.00 0.00 0.00 176.54 177.42 3iuv h GLU 94 N 1.15 -0.28 -0.33 4.80 5.08 -0.80 -0.83 114.58 123.38 3iuv h GLU 94 Ca 0.41 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.89 3iuv h GLU 94 Cb 0.13 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3iuv h GLU 94 CO -0.16 0.05 0.74 2.35 -1.00 0.00 0.00 179.01 180.99 3iuv h TRP 95 N -0.97 0.00 0.00 4.33 -0.00 -0.92 -2.49 115.95 115.91 3iuv h TRP 95 Ca -0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 58.89 58.49 3iuv h TRP 95 Cb 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.55 3iuv h TRP 95 CO 0.06 0.00 -2.27 1.28 -0.00 0.00 0.00 178.44 177.50 3iuv n LEU 96 N -3.05 1.93 -4.52 0.65 4.77 -0.89 -4.76 117.00 111.13 3iuv n LEU 96 Ca 0.07 0.19 -0.52 0.00 -0.03 0.00 0.00 56.01 55.71 3iuv n LEU 96 Cb 0.87 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3iuv n LEU 96 CO 0.15 0.57 0.57 0.61 -1.33 0.00 0.00 177.39 177.96 3iuv n GLY 97 N 1.77 -0.32 0.00 -0.72 0.00 -0.32 -3.79 105.19 101.82 3iuv n GLY 97 Ca -0.44 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3iuv n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iuv n GLY 98 N 1.90 0.19 2.26 -0.02 0.00 -1.26 -4.74 105.19 103.52 3iuv n GLY 98 Ca 0.17 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 3iuv n GLY 98 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iuv n ASP 99 N 0.00 4.92 0.00 1.61 -0.08 -1.26 -4.97 116.55 116.76 3iuv n ASP 99 Ca 0.00 -3.74 0.00 0.00 -1.51 0.00 0.00 54.79 49.54 3iuv n ASP 99 Cb 0.00 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.04 3iuv n ASP 99 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3iuv n ARG 100 N -0.60 0.00 -0.32 -0.67 -4.01 -1.25 -4.76 116.66 105.05 3iuv n ARG 100 Ca 0.42 0.00 0.13 0.00 -1.04 0.00 0.00 57.85 57.36 3iuv n ARG 100 Cb 0.81 -3.10 0.26 0.00 -3.04 0.00 0.00 32.46 27.39 3iuv n ARG 100 CO 0.00 0.00 0.00 1.79 -3.04 0.00 0.00 177.63 176.38 3iuv h THR 101 N 0.00 0.11 0.00 8.89 1.35 -1.91 0.68 112.91 122.03 3iuv h THR 101 Ca 0.00 -0.02 -0.10 0.00 -0.55 0.00 0.00 66.41 65.74 3iuv h THR 101 Cb 0.00 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.46 3iuv h THR 101 CO 0.00 0.01 -0.50 1.23 -0.25 0.00 0.00 175.52 176.01 3iuv h GLY 102 N 0.05 0.00 1.65 5.82 0.00 -1.92 -2.23 103.07 106.44 3iuv h GLY 102 Ca 0.56 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.67 3iuv h GLY 102 CO -0.85 0.00 -0.97 -0.24 0.00 0.00 0.00 176.54 174.48 3iuv h VAL 103 N 0.00 1.46 -0.19 4.60 3.04 -0.02 -1.74 116.25 123.40 3iuv h VAL 103 Ca -0.00 -2.62 0.04 0.00 -1.01 0.00 0.00 66.70 63.10 3iuv h VAL 103 Cb 1.07 2.53 -0.04 0.00 -2.01 0.00 0.00 31.29 32.83 3iuv h VAL 103 CO 0.06 0.77 -0.06 -0.33 -1.01 0.00 0.00 177.57 177.00 3iuv h GLU 104 N 0.16 -0.03 -0.56 4.17 5.08 -0.86 -2.46 114.58 120.08 3iuv h GLU 104 Ca -0.07 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3iuv h GLU 104 Cb 1.62 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.79 3iuv h GLU 104 CO 0.16 -0.02 0.07 -0.07 -1.00 0.00 0.00 179.01 178.15 3iuv h LEU 105 N -0.03 -0.10 -1.46 1.33 -0.00 -1.32 0.05 115.31 113.79 3iuv h LEU 105 Ca 0.09 0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 58.05 3iuv h LEU 105 Cb 0.17 0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 3iuv h LEU 105 CO -0.21 -0.03 -0.19 1.05 -0.00 0.00 0.00 178.44 179.06 3iuv h GLU 106 N 0.19 0.00 0.06 1.13 -0.00 -0.84 1.68 114.58 116.80 3iuv h GLU 106 Ca 0.29 0.00 -0.38 0.00 -0.00 0.00 0.00 59.36 59.27 3iuv h GLU 106 Cb 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.14 3iuv h GLU 106 CO -0.41 0.19 -2.23 0.66 -0.00 0.00 0.00 179.01 177.21 3iuv n TYR 107 N -3.50 0.61 -0.24 2.06 4.01 -1.11 -1.03 117.16 117.96 3iuv n TYR 107 Ca -0.01 0.13 0.01 0.00 -0.16 0.00 0.00 57.90 57.87 3iuv n TYR 107 Cb 0.35 -1.08 0.13 0.00 -0.31 0.00 0.00 39.34 38.43 3iuv n TYR 107 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3iuv h GLU 108 N -0.01 0.56 0.28 -0.72 4.81 -0.64 1.24 114.58 120.09 3iuv h GLU 108 Ca -0.51 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3iuv h GLU 108 Cb 1.95 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.20 3iuv h GLU 108 CO -0.02 0.37 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.43 3iuv h LEU 109 N 0.57 -0.31 -1.27 1.64 3.38 0.24 -1.83 115.31 117.72 3iuv h LEU 109 Ca 0.34 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.47 3iuv h LEU 109 Cb 0.35 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 3iuv h LEU 109 CO -0.27 -0.21 0.59 0.10 0.09 0.00 0.00 178.44 178.74 3iuv h TYR 110 N -0.39 0.82 0.24 1.13 -0.00 0.11 0.79 116.97 119.68 3iuv h TYR 110 Ca -0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 58.73 58.71 3iuv h TYR 110 Cb 0.30 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 36.77 3iuv h TYR 110 CO -0.05 0.27 -0.13 1.37 -0.00 0.00 0.00 178.16 179.61 3iuv h LEU 111 N 0.66 -0.33 -1.83 0.10 -0.00 0.16 0.69 115.31 114.76 3iuv h LEU 111 Ca 0.48 0.02 0.18 0.00 -0.00 0.00 0.00 57.88 58.55 3iuv h LEU 111 Cb 0.84 0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.55 3iuv h LEU 111 CO -0.23 -0.22 0.50 0.00 -0.00 0.00 0.00 178.44 178.49 3iuv h ALA 112 N -1.75 2.44 0.56 0.17 0.00 -0.61 -1.95 119.26 118.11 3iuv h ALA 112 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3iuv h ALA 112 Cb 0.27 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iuv h ALA 112 CO 0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 179.25 178.38 3iuv h ALA 113 N 1.66 -1.03 -0.37 0.00 0.00 0.86 -1.83 119.26 118.54 3iuv h ALA 113 Ca 0.35 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3iuv h ALA 113 Cb 1.14 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 3iuv h ALA 113 CO -0.06 -0.97 -0.23 1.37 0.00 0.00 0.00 179.25 179.36 3iuv h LEU 114 N -0.87 -0.84 -0.75 0.00 -0.00 0.12 0.17 115.31 113.14 3iuv h LEU 114 Ca -0.08 0.13 0.17 0.00 -0.00 0.00 0.00 57.88 58.09 3iuv h LEU 114 Cb 0.58 0.37 -0.14 0.00 -0.00 0.00 0.00 40.66 41.47 3iuv h LEU 114 CO 0.13 -0.09 -0.07 0.08 -0.00 0.00 0.00 178.44 178.49 3iuv h ARG 115 N -0.01 0.06 -7.07 0.17 0.11 -1.59 -3.44 114.38 102.61 3iuv h ARG 115 Ca 0.06 -0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.69 3iuv h ARG 115 Cb 0.16 -0.01 0.07 0.00 1.11 0.00 0.00 29.97 31.30 3iuv h ARG 115 CO -0.36 0.04 0.09 -0.98 0.10 0.00 0.00 179.97 178.86 3iuv s ARG 116 N -6.16 2.24 0.00 0.08 1.70 0.61 -4.95 118.95 112.46 3iuv s ARG 116 Ca -0.14 -0.64 0.32 0.00 -0.47 0.00 0.00 55.73 54.80 3iuv s ARG 116 Cb 0.22 -2.33 1.85 0.00 -0.57 0.00 0.00 34.95 34.12 3iuv s ARG 116 CO 0.75 -1.06 2.20 -0.35 -1.08 0.00 0.00 175.30 175.76 3iuv n PRO 117 N -2.66 1.03 -0.24 3.89 -0.06 -1.26 -3.20 135.00 132.50 3iuv n PRO 117 Ca 0.09 -0.04 -0.02 0.00 -0.06 0.00 0.00 63.50 63.47 3iuv n PRO 117 Cb 0.60 -1.49 0.06 0.00 -0.06 0.00 0.00 33.50 32.61 3iuv n PRO 117 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 175.50 175.44 3iuv n ALA 118 N -0.95 3.01 -0.14 0.55 0.00 -1.26 -4.47 120.51 117.26 3iuv n ALA 118 Ca 0.24 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 3iuv n ALA 118 Cb 0.12 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.51 3iuv n ALA 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iuv h LEU 119 N 0.94 -0.90 0.22 0.00 5.85 -1.62 -3.35 115.31 116.45 3iuv h LEU 119 Ca 0.08 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3iuv h LEU 119 Cb 1.16 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 3iuv h LEU 119 CO 0.18 -0.28 -0.19 0.03 -0.34 0.00 0.00 178.44 177.85 3iuv h ARG 120 N -0.17 -0.41 0.55 1.25 -0.00 -1.92 0.91 114.38 114.59 3iuv h ARG 120 Ca 0.21 0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.70 3iuv h ARG 120 Cb 0.50 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.55 3iuv h ARG 120 CO -0.56 -0.28 -0.43 -1.35 0.00 0.00 0.00 179.97 177.35 3iuv h PRO 121 N -0.43 -0.93 0.37 0.04 0.11 -1.95 -0.89 132.00 128.33 3iuv h PRO 121 Ca -0.01 0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3iuv h PRO 121 Cb 0.39 0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3iuv h PRO 121 CO -0.03 -0.62 -0.30 0.28 -0.21 0.00 0.00 178.00 177.13 3iuv h VAL 122 N -0.96 0.00 0.00 3.15 2.07 -1.77 -3.05 116.25 115.69 3iuv h VAL 122 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3iuv h VAL 122 Cb 0.81 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3iuv h VAL 122 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3iuv n ALA 123 N -2.54 0.00 -0.21 1.67 0.00 0.31 -3.31 120.51 116.43 3iuv n ALA 123 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.38 3iuv n ALA 123 Cb 0.29 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.86 3iuv n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iuv h ALA 124 N -2.87 0.77 -0.91 0.00 0.00 -1.38 -2.96 119.26 111.92 3iuv h ALA 124 Ca 0.00 0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.29 3iuv h ALA 124 Cb 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 17.81 3iuv h ALA 124 CO 0.00 -0.30 0.11 1.49 0.00 0.00 0.00 179.25 180.55 3iuv h GLU 125 N 0.28 0.09 0.00 0.00 4.81 -1.47 0.24 114.58 118.52 3iuv h GLU 125 Ca 0.34 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3iuv h GLU 125 Cb 0.51 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3iuv h GLU 125 CO -0.42 0.06 0.00 1.87 -0.73 0.00 0.00 179.01 179.79 3iuv n TRP 126 N -5.37 0.00 1.95 0.92 -0.00 -1.12 -2.87 117.44 110.95 3iuv n TRP 126 Ca 0.21 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.83 3iuv n TRP 126 Cb 0.70 0.00 0.70 0.00 -0.00 0.00 0.00 31.31 32.71 3iuv n TRP 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3iuv n ALA 127 N -1.07 2.64 -0.05 5.87 0.00 0.51 -3.63 120.51 124.78 3iuv n ALA 127 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3iuv n ALA 127 Cb 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 3iuv n ALA 127 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3iuv h GLU 128 N 0.19 0.29 0.09 0.00 4.57 -0.54 0.53 114.58 119.70 3iuv h GLU 128 Ca 0.00 -0.06 -0.25 0.00 -1.18 0.00 0.00 59.36 57.87 3iuv h GLU 128 Cb 0.04 -0.04 0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3iuv h GLU 128 CO 0.00 0.38 -1.02 0.78 -1.18 0.00 0.00 179.01 177.98 3iuv h GLY 129 N 0.13 0.60 0.84 1.92 0.00 -1.67 -1.42 103.07 103.47 3iuv h GLY 129 Ca 0.06 -1.22 -0.02 0.00 0.00 0.00 0.00 47.33 46.15 3iuv h GLY 129 CO -0.00 1.08 -0.35 -2.08 0.00 0.00 0.00 176.54 175.18 3iuv h VAL 130 N 0.09 0.28 -0.58 4.60 2.07 -1.68 0.05 116.25 121.08 3iuv h VAL 130 Ca -0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.43 3iuv h VAL 130 Cb 1.72 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3iuv h VAL 130 CO 0.20 0.00 0.28 1.23 0.02 0.00 0.00 177.57 179.29 3iuv h GLY 131 N -0.87 0.82 0.73 2.17 0.00 -0.04 0.38 103.07 106.26 3iuv h GLY 131 Ca -0.07 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.14 3iuv h GLY 131 CO 0.06 0.08 0.53 0.00 0.00 0.00 0.00 176.54 177.21 3iuv h ALA 132 N 1.34 1.16 0.04 3.60 0.00 -1.13 0.23 119.26 124.49 3iuv h ALA 132 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3iuv h ALA 132 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iuv h ALA 132 CO -0.21 0.28 -0.02 1.25 0.00 0.00 0.00 179.25 180.55 3iuv h LEU 133 N 0.97 -0.04 -0.66 0.00 6.46 -0.15 -2.68 115.31 119.21 3iuv h LEU 133 Ca 0.37 -0.52 0.04 0.00 -0.12 0.00 0.00 57.88 57.64 3iuv h LEU 133 Cb 0.16 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 3iuv h LEU 133 CO -0.17 0.52 0.40 -0.07 -0.62 0.00 0.00 178.44 178.50 3iuv h LEU 134 N -0.62 0.62 0.40 2.25 4.07 -0.17 -0.58 115.31 121.28 3iuv h LEU 134 Ca -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3iuv h LEU 134 Cb 0.56 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 3iuv h LEU 134 CO 0.01 0.42 -0.45 0.00 -1.08 0.00 0.00 178.44 177.34 3iuv h ALA 135 N 1.31 -0.98 -1.00 1.53 0.00 -0.59 0.36 119.26 119.89 3iuv h ALA 135 Ca 0.28 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.24 3iuv h ALA 135 Cb 0.09 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 3iuv h ALA 135 CO -0.13 -1.09 0.61 0.00 0.00 0.00 0.00 179.25 178.63 3iuv h ALA 136 N -0.60 1.74 -0.00 0.00 0.00 -1.25 -1.80 119.26 117.36 3iuv h ALA 136 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iuv h ALA 136 Cb 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3iuv h ALA 136 CO -0.10 -0.14 -0.27 -2.13 0.00 0.00 0.00 179.25 176.62 3iuv n ARG 137 N -4.77 0.11 0.00 0.00 0.63 -0.24 -4.86 116.66 107.52 3iuv n ARG 137 Ca 0.24 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3iuv n ARG 137 Cb 0.63 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.04 3iuv n ARG 137 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3iuv n THR 138 N -1.41 0.00 -4.04 5.15 -2.24 0.12 -5.01 114.28 106.85 3iuv n THR 138 Ca 0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 3iuv n THR 138 Cb 0.33 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.48 3iuv n THR 138 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3iuv s ASP 139 N 1.00 0.12 0.16 3.42 1.47 -1.19 -4.93 116.67 116.72 3iuv s ASP 139 Ca 0.00 -1.02 -0.16 0.00 1.18 0.00 0.00 52.55 52.55 3iuv s ASP 139 Cb 0.00 0.40 0.02 0.00 -0.34 0.00 0.00 42.92 43.00 3iuv s ASP 139 CO 0.00 -0.85 1.81 -0.65 0.68 0.00 0.00 175.17 176.16 3iuv h PRO 140 N 2.63 0.57 0.61 2.11 0.11 -1.91 -1.96 132.00 134.16 3iuv h PRO 140 Ca -0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.72 3iuv h PRO 140 Cb 1.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3iuv h PRO 140 CO 0.51 0.39 -0.45 1.15 -0.21 0.00 0.00 178.00 179.39 3iuv h THR 141 N 0.58 0.00 -0.86 -1.15 2.02 -1.97 -1.54 112.91 109.99 3iuv h THR 141 Ca 0.16 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.56 3iuv h THR 141 Cb -0.05 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.21 3iuv h THR 141 CO -0.03 0.00 0.07 0.74 0.37 0.00 0.00 175.52 176.67 3iuv h THR 142 N -1.01 0.23 -0.45 3.16 2.02 -1.86 -0.68 112.91 114.31 3iuv h THR 142 Ca -0.08 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3iuv h THR 142 Cb 0.84 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3iuv h THR 142 CO 0.03 0.02 0.29 0.00 0.37 0.00 0.00 175.52 176.24 3iuv h ALA 143 N 1.81 0.58 -0.73 6.16 0.00 -0.77 0.94 119.26 127.25 3iuv h ALA 143 Ca 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 3iuv h ALA 143 Cb 0.98 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3iuv h ALA 143 CO -0.74 0.04 0.36 0.00 0.00 0.00 0.00 179.25 178.91 3iuv h ARG 144 N 0.61 1.05 -0.15 0.00 3.08 -0.25 0.17 114.38 118.89 3iuv h ARG 144 Ca 0.17 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3iuv h ARG 144 Cb -0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3iuv h ARG 144 CO -0.03 0.81 0.07 0.00 -1.07 0.00 0.00 179.97 179.74 3iuv h ALA 145 N 1.18 0.19 0.17 0.04 0.00 -0.51 0.06 119.26 120.39 3iuv h ALA 145 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3iuv h ALA 145 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3iuv h ALA 145 CO -0.03 -0.24 -0.22 -0.07 0.00 0.00 0.00 179.25 178.68 3iuv h LEU 146 N 0.10 -0.60 -0.47 0.00 3.38 0.13 -1.93 115.31 115.92 3iuv h LEU 146 Ca 0.05 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3iuv h LEU 146 Cb 0.13 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 3iuv h LEU 146 CO -0.01 -0.32 -0.00 0.58 0.09 0.00 0.00 178.44 178.79 3iuv h VAL 147 N -0.44 0.64 -0.63 1.22 2.07 -0.88 -1.21 116.25 117.01 3iuv h VAL 147 Ca 0.01 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3iuv h VAL 147 Cb 0.44 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3iuv h VAL 147 CO -0.09 0.02 0.42 0.00 0.02 0.00 0.00 177.57 177.94 3iuv h ALA 148 N 1.41 1.71 0.07 1.67 0.00 -0.53 -2.51 119.26 121.08 3iuv h ALA 148 Ca 0.23 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 3iuv h ALA 148 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3iuv h ALA 148 CO -0.39 0.21 -1.16 -0.24 0.00 0.00 0.00 179.25 177.67 3iuv h VAL 149 N 0.70 1.56 -0.15 0.00 3.04 -0.51 -2.13 116.25 118.76 3iuv h VAL 149 Ca 0.26 -3.20 0.05 0.00 -1.01 0.00 0.00 66.70 62.80 3iuv h VAL 149 Cb 0.16 2.89 -0.07 0.00 -2.01 0.00 0.00 31.29 32.26 3iuv h VAL 149 CO -0.08 0.92 -0.40 -0.07 -1.01 0.00 0.00 177.57 176.93 3iuv h LEU 150 N 0.04 -1.25 -0.33 3.16 4.07 -0.83 0.21 115.31 120.38 3iuv h LEU 150 Ca -0.09 0.17 0.05 0.00 0.08 0.00 0.00 57.88 58.09 3iuv h LEU 150 Cb 1.89 0.52 -0.05 0.00 1.08 0.00 0.00 40.66 44.10 3iuv h LEU 150 CO 0.17 -0.41 0.04 0.44 -1.08 0.00 0.00 178.44 177.60 3iuv h ASP 151 N -0.46 -0.04 0.32 -0.43 3.32 -1.51 0.87 116.42 118.50 3iuv h ASP 151 Ca 0.08 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3iuv h ASP 151 Cb 0.61 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3iuv h ASP 151 CO -0.40 0.02 -0.30 1.23 -1.72 0.00 0.00 179.24 178.07 3iuv h GLY 152 N 0.15 -1.02 -0.64 2.75 0.00 -0.99 0.76 103.07 104.08 3iuv h GLY 152 Ca 0.16 0.46 0.13 0.00 0.00 0.00 0.00 47.33 48.08 3iuv h GLY 152 CO -0.23 -0.33 -0.33 -2.22 0.00 0.00 0.00 176.54 173.44 3iuv h ILE 153 N -0.62 0.12 -0.25 2.60 2.04 -0.53 0.70 117.51 121.57 3iuv h ILE 153 Ca -0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 3iuv h ILE 153 Cb 0.53 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3iuv h ILE 153 CO -0.02 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.25 3iuv h LEU 155 N 0.26 -0.33 -0.80 0.00 6.46 0.26 -1.52 115.31 119.65 3iuv h LEU 155 Ca 0.10 0.04 0.19 0.00 -0.12 0.00 0.00 57.88 58.10 3iuv h LEU 155 Cb 0.03 0.13 -0.15 0.00 -0.73 0.00 0.00 40.66 39.94 3iuv h LEU 155 CO -0.07 -0.09 -0.08 0.00 -0.62 0.00 0.00 178.44 177.58 3iuv n GLN 156 N -3.11 -0.07 0.29 1.25 1.13 0.03 0.10 117.38 117.00 3iuv n GLN 156 Ca -0.01 1.22 0.15 0.00 -1.94 0.00 0.00 57.00 56.42 3iuv n GLN 156 Cb 0.07 -1.89 0.89 0.00 0.11 0.00 0.00 30.24 29.42 3iuv n GLN 156 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3iuv h VAL 157 N 0.00 0.46 0.01 5.09 2.07 -0.65 0.64 116.25 123.87 3iuv h VAL 157 Ca 0.44 -0.20 -0.40 0.00 0.82 0.00 0.00 66.70 67.36 3iuv h VAL 157 Cb 0.82 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 3iuv h VAL 157 CO -0.78 0.04 -2.38 0.18 0.02 0.00 0.00 177.57 174.65 3iuv n LEU 158 N -3.66 2.55 -0.10 2.57 4.77 0.11 -2.64 117.00 120.61 3iuv n LEU 158 Ca -0.02 0.09 -0.05 0.00 -0.03 0.00 0.00 56.01 55.99 3iuv n LEU 158 Cb 0.14 -0.91 0.14 0.00 -2.33 0.00 0.00 43.42 40.47 3iuv n LEU 158 CO 0.27 0.77 0.84 -0.07 -1.33 0.00 0.00 177.39 177.88 3iuv h LEU 159 N -0.37 0.77 -0.34 2.23 3.38 -1.13 -2.37 115.31 117.47 3iuv h LEU 159 Ca -0.59 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3iuv h LEU 159 Cb 1.79 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.33 3iuv h LEU 159 CO -0.19 0.86 -0.42 0.35 0.09 0.00 0.00 178.44 179.14 3iuv n THR 160 N -4.19 0.00 -1.20 0.22 -2.24 0.21 -4.95 114.28 102.13 3iuv n THR 160 Ca 0.02 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 3iuv n THR 160 Cb 0.33 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 3iuv n THR 160 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3iuv n ASP 161 N -0.93 -3.68 -4.78 3.42 2.03 -0.90 -4.96 116.55 106.76 3iuv n ASP 161 Ca 0.09 0.25 -0.30 0.00 0.52 0.00 0.00 54.79 55.35 3iuv n ASP 161 Cb 0.35 -3.11 0.11 0.00 -0.72 0.00 0.00 41.12 37.75 3iuv n ASP 161 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3iuv s THR 162 N -1.76 2.89 0.32 5.18 -1.32 -1.14 -4.96 115.64 114.84 3iuv s THR 162 Ca 0.00 0.29 -0.18 0.00 -1.21 0.00 0.00 61.69 60.59 3iuv s THR 162 Cb 0.00 -2.95 -0.09 0.00 -1.51 0.00 0.00 72.50 67.95 3iuv s THR 162 CO 0.00 -0.38 0.78 -2.16 -2.21 0.00 0.00 174.62 170.65 3iuv s PRO 163 N -5.09 4.13 0.22 7.08 0.04 -1.26 -4.76 135.00 135.37 3iuv s PRO 163 Ca 0.62 0.83 -0.32 0.00 0.04 0.00 0.00 61.00 62.17 3iuv s PRO 163 Cb -0.16 -2.52 -0.12 0.00 0.04 0.00 0.00 34.50 31.75 3iuv s PRO 163 CO 0.55 0.19 1.69 -0.47 0.04 0.00 0.00 177.00 179.00 3iuv s TYR 164 N -1.88 2.89 -0.41 0.56 5.04 -1.26 -4.97 117.35 117.32 3iuv s TYR 164 Ca 0.52 0.43 -0.11 0.00 -2.44 0.00 0.00 57.07 55.48 3iuv s TYR 164 Cb -0.12 -4.11 0.06 0.00 0.35 0.00 0.00 41.96 38.13 3iuv s TYR 164 CO 0.18 -4.14 0.26 0.34 -1.34 0.00 0.00 175.55 170.85 3iuv s ASP 165 N 1.06 5.76 0.13 4.32 -1.08 -1.26 -4.95 116.67 120.65 3iuv s ASP 165 Ca 0.73 -1.26 -0.00 0.00 -0.52 0.00 0.00 52.55 51.49 3iuv s ASP 165 Cb -0.49 -2.03 -0.12 0.00 -1.46 0.00 0.00 42.92 38.81 3iuv s ASP 165 CO 0.35 -0.49 1.28 -0.08 0.52 0.00 0.00 175.17 176.75 3iuv h GLU 166 N 8.47 0.24 -0.82 4.34 4.81 -1.93 -1.81 114.58 127.89 3iuv h GLU 166 Ca -0.25 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 3iuv h GLU 166 Cb 1.10 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 3iuv h GLU 166 CO 0.74 1.07 0.37 0.93 -0.73 0.00 0.00 179.01 181.38 3iuv h GLU 167 N 0.11 1.19 0.16 1.92 5.08 -1.96 -1.48 114.58 119.59 3iuv h GLU 167 Ca -0.07 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3iuv h GLU 167 Cb 1.68 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.73 3iuv h GLU 167 CO 0.16 0.93 -0.08 -0.92 -1.00 0.00 0.00 179.01 178.10 3iuv h TYR 168 N 1.17 -0.20 -0.49 4.33 5.03 -1.93 -0.60 116.97 124.29 3iuv h TYR 168 Ca 0.28 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.55 3iuv h TYR 168 Cb 0.15 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.47 3iuv h TYR 168 CO 0.02 -0.07 0.17 0.00 -1.32 0.00 0.00 178.16 176.95 3iuv h ALA 169 N 0.56 0.63 -0.17 1.82 0.00 -1.17 -0.86 119.26 120.08 3iuv h ALA 169 Ca -0.02 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3iuv h ALA 169 Cb 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3iuv h ALA 169 CO 0.04 0.27 -0.25 -0.09 0.00 0.00 0.00 179.25 179.21 3iuv h ARG 170 N 0.65 -0.29 -0.56 0.00 2.43 -1.09 0.24 114.38 115.76 3iuv h ARG 170 Ca 0.16 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 3iuv h ARG 170 Cb 0.24 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 3iuv h ARG 170 CO -0.01 -0.19 0.09 1.49 -1.51 0.00 0.00 179.97 179.84 3iuv h GLU 171 N -0.30 0.21 0.06 0.20 4.57 -0.75 -1.24 114.58 117.34 3iuv h GLU 171 Ca 0.11 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3iuv h GLU 171 Cb 0.47 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3iuv h GLU 171 CO -0.34 0.14 -0.03 0.28 -1.18 0.00 0.00 179.01 177.88 3iuv h VAL 172 N 0.22 1.15 -0.51 0.32 2.07 0.40 -2.92 116.25 116.97 3iuv h VAL 172 Ca 0.29 -0.71 0.08 0.00 0.82 0.00 0.00 66.70 67.18 3iuv h VAL 172 Cb 0.42 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 3iuv h VAL 172 CO -0.39 0.18 0.13 -0.07 0.02 0.00 0.00 177.57 177.44 3iuv h LEU 173 N -0.40 0.07 -1.50 2.57 3.38 -0.56 -1.99 115.31 116.88 3iuv h LEU 173 Ca -0.01 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.20 3iuv h LEU 173 Cb 0.35 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3iuv h LEU 173 CO 0.01 0.07 0.54 0.74 0.09 0.00 0.00 178.44 179.89 3iuv h THR 174 N 0.28 0.78 0.00 0.22 2.02 -1.05 -0.99 112.91 114.17 3iuv h THR 174 Ca 0.25 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 3iuv h THR 174 Cb 0.32 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3iuv h THR 174 CO -0.30 0.09 -0.19 0.03 0.37 0.00 0.00 175.52 175.52 3iuv h ARG 175 N 0.47 0.00 0.00 6.66 3.08 -1.18 -2.14 114.38 121.27 3iuv h ARG 175 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3iuv h ARG 175 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3iuv h ARG 175 CO -0.15 0.19 -0.44 1.28 -1.07 0.00 0.00 179.97 179.78 3iuv n LEU 176 N -3.48 0.55 -4.64 3.04 4.77 -0.40 -4.76 117.00 112.08 3iuv n LEU 176 Ca -0.01 0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 3iuv n LEU 176 Cb 0.36 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 3iuv n LEU 176 CO 0.32 0.00 -0.01 -0.63 -1.33 0.00 0.00 177.39 175.74 3iuv s ILE 177 N -3.08 5.25 0.71 -0.08 1.01 -0.81 -4.82 121.20 119.37 3iuv s ILE 177 Ca 0.09 0.47 -0.06 0.00 0.00 0.00 0.00 60.65 61.15 3iuv s ILE 177 Cb 0.15 -3.64 0.15 0.00 0.01 0.00 0.00 42.46 39.14 3iuv s ILE 177 CO 0.68 0.26 0.96 -2.65 0.00 0.00 0.00 174.94 174.19 3iuv n PRO 178 N 4.68 -0.49 -0.33 2.79 -0.02 -1.26 -4.94 135.00 135.43 3iuv n PRO 178 Ca -0.11 -2.03 0.00 0.00 -2.02 0.00 0.00 63.50 59.34 3iuv n PRO 178 Cb 0.51 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.17 3iuv n PRO 178 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76