#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6a n ASN 2 N 0.00 0.00 -4.36 0.00 4.13 -1.26 -5.33 115.26 108.44 1t6a n ASN 2 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 1t6a n ASN 2 Cb 0.00 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 1t6a n ASN 2 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1t6a s THR 3 N -0.82 2.27 0.02 3.41 2.01 -1.26 -5.14 115.64 116.13 1t6a s THR 3 Ca 0.00 -1.20 0.02 0.00 0.31 0.00 0.00 61.69 60.82 1t6a s THR 3 Cb 0.00 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1t6a s THR 3 CO 0.00 0.46 -0.07 1.51 -0.69 0.00 0.00 174.62 175.83 1t6a s ASP 4 N -0.99 0.84 -0.26 3.53 -4.77 -1.26 -5.12 116.67 108.64 1t6a s ASP 4 Ca 0.11 -0.36 -0.07 0.00 -3.30 0.00 0.00 52.55 48.93 1t6a s ASP 4 Cb -0.10 -0.02 -0.01 0.00 -1.09 0.00 0.00 42.92 41.70 1t6a s ASP 4 CO 0.01 -0.08 0.06 -0.22 0.70 0.00 0.00 175.17 175.65 1t6a s LEU 5 N -0.97 3.53 -0.38 2.11 2.96 -1.26 -5.08 118.68 119.60 1t6a s LEU 5 Ca -0.04 -0.41 -0.27 0.00 -0.22 0.00 0.00 54.13 53.19 1t6a s LEU 5 Cb -0.07 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.75 1t6a s LEU 5 CO 0.00 -0.09 0.97 -0.75 -1.32 0.00 0.00 176.35 175.16 1t6a s LYS 6 N 1.56 3.83 0.71 1.98 2.20 -1.26 -5.03 119.74 123.73 1t6a s LYS 6 Ca 0.05 0.60 -0.14 0.00 -0.36 0.00 0.00 55.97 56.12 1t6a s LYS 6 Cb -0.16 -3.82 0.03 0.00 -1.51 0.00 0.00 37.83 32.37 1t6a s LYS 6 CO 0.02 -1.02 1.14 -0.51 -0.36 0.00 0.00 175.35 174.62 1t6a s LEU 7 N 3.65 3.29 0.59 5.43 1.43 -1.26 -4.97 118.68 126.83 1t6a s LEU 7 Ca 0.40 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 55.40 1t6a s LEU 7 Cb -0.11 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.51 1t6a s LEU 7 CO 0.21 -1.96 1.25 -2.65 0.23 0.00 0.00 176.35 173.42 1t6a n PRO 8 N -2.76 1.33 -1.61 1.29 -0.02 -1.26 -4.87 135.00 127.10 1t6a n PRO 8 Ca 0.11 0.50 -0.48 0.00 -2.02 0.00 0.00 63.50 61.61 1t6a n PRO 8 Cb 0.52 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 1t6a n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t6a n ALA 9 N -1.44 -0.15 0.00 3.55 0.00 -1.26 -1.60 120.51 119.61 1t6a n ALA 9 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1t6a n ALA 9 Cb 0.46 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1t6a n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t6a n GLY 10 N 2.24 1.96 3.72 0.00 0.00 -1.26 -5.02 105.19 106.83 1t6a n GLY 10 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1t6a n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t6a s LYS 11 N -0.44 4.62 0.30 1.61 2.47 -0.62 -5.25 119.74 122.42 1t6a s LYS 11 Ca 0.00 1.45 0.02 0.00 -1.56 0.00 0.00 55.97 55.88 1t6a s LYS 11 Cb 0.00 -3.42 0.02 0.00 -1.46 0.00 0.00 37.83 32.97 1t6a s LYS 11 CO 0.00 0.06 0.18 0.25 0.16 0.00 0.00 175.35 176.00 1t6a n THR 12 N 3.39 0.00 -3.92 3.43 -2.24 -1.26 -4.90 114.28 108.79 1t6a n THR 12 Ca 0.04 -1.21 -0.09 0.00 -2.27 0.00 0.00 64.05 60.52 1t6a n THR 12 Cb 0.50 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 1t6a n THR 12 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1t6a s THR 14 N -1.58 0.04 0.41 4.28 -4.23 -1.26 -5.14 115.64 108.16 1t6a s THR 14 Ca 0.14 -1.25 0.10 0.00 -1.18 0.00 0.00 61.69 59.50 1t6a s THR 14 Cb -0.01 -1.85 0.19 0.00 1.34 0.00 0.00 72.50 72.17 1t6a s THR 14 CO 0.09 -0.19 1.97 -0.29 -0.54 0.00 0.00 174.62 175.65 1t6a h ILE 15 N 2.41 1.14 -0.29 2.99 6.09 -2.06 -2.11 117.51 125.68 1t6a h ILE 15 Ca -0.30 -0.58 -0.13 0.00 -1.37 0.00 0.00 64.86 62.47 1t6a h ILE 15 Cb 1.24 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.60 1t6a h ILE 15 CO 0.43 0.19 -0.37 -0.33 -3.07 0.00 0.00 178.15 175.00 1t6a h GLU 16 N 0.24 0.65 -0.69 2.19 4.39 -2.06 -1.27 114.58 118.03 1t6a h GLU 16 Ca 0.05 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1t6a h GLU 16 Cb 0.26 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1t6a h GLU 16 CO 0.01 0.92 0.31 -0.44 -1.16 0.00 0.00 179.01 178.65 1t6a h ASP 17 N 0.54 0.92 -0.66 1.42 3.32 -1.87 -1.96 116.42 118.13 1t6a h ASP 17 Ca 0.05 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1t6a h ASP 17 Cb 0.88 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1t6a h ASP 17 CO 0.08 0.81 0.31 0.58 -1.72 0.00 0.00 179.24 179.30 1t6a h VAL 18 N 0.96 1.22 -0.75 -1.35 2.07 -1.08 -1.00 116.25 116.32 1t6a h VAL 18 Ca 0.23 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1t6a h VAL 18 Cb 0.15 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1t6a h VAL 18 CO -0.03 0.27 0.37 0.50 0.02 0.00 0.00 177.57 178.71 1t6a h LYS 19 N 0.97 1.07 -0.37 1.57 3.64 -0.86 -1.42 116.57 121.18 1t6a h LYS 19 Ca 0.24 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1t6a h LYS 19 Cb 0.13 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1t6a h LYS 19 CO -0.03 0.83 -0.04 0.37 -2.27 0.00 0.00 179.45 178.31 1t6a h GLN 20 N 1.05 0.60 -0.28 1.90 5.75 -0.94 -2.31 115.11 120.87 1t6a h GLN 20 Ca 0.26 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.51 1t6a h GLN 20 Cb 0.10 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1t6a h GLN 20 CO -0.03 0.65 -0.24 -0.07 -2.65 0.00 0.00 178.83 176.48 1t6a h LEU 21 N 0.56 0.55 -0.93 -2.39 3.38 -0.60 -0.44 115.31 115.44 1t6a h LEU 21 Ca 0.11 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1t6a h LEU 21 Cb 0.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1t6a h LEU 21 CO 0.02 0.78 -0.17 -0.07 0.09 0.00 0.00 178.44 179.10 1t6a h LEU 22 N 0.48 0.59 -0.29 1.67 3.38 -0.88 -0.40 115.31 119.85 1t6a h LEU 22 Ca 0.07 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1t6a h LEU 22 Cb 0.68 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1t6a h LEU 22 CO 0.05 0.77 -0.09 -0.33 0.09 0.00 0.00 178.44 178.93 1t6a h GLU 23 N 0.54 0.58 -0.69 1.13 5.08 -1.08 -2.17 114.58 117.97 1t6a h GLU 23 Ca 0.09 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1t6a h GLU 23 Cb 0.59 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1t6a h GLU 23 CO 0.04 0.78 0.46 0.00 -1.00 0.00 0.00 179.01 179.29 1t6a h ARG 24 N 0.34 0.76 -0.49 2.33 3.08 -0.86 -2.30 114.38 117.23 1t6a h ARG 24 Ca 0.07 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1t6a h ARG 24 Cb 0.58 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1t6a h ARG 24 CO 0.03 0.50 0.11 -0.92 -1.07 0.00 0.00 179.97 178.63 1t6a h TYR 25 N 0.78 0.83 0.00 3.04 3.20 -0.82 -0.88 116.97 123.12 1t6a h TYR 25 Ca 0.29 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1t6a h TYR 25 Cb 0.16 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1t6a h TYR 25 CO -0.00 0.75 0.00 1.04 -1.64 0.00 0.00 178.16 178.31 1t6a n GLN 26 N -4.46 0.31 0.00 1.82 6.02 -0.84 -1.42 117.38 118.81 1t6a n GLN 26 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1t6a n GLN 26 Cb 0.23 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1t6a n GLN 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1t6a n ALA 28 N 1.18 0.00 -0.04 -1.58 0.00 -0.34 -1.52 120.51 118.22 1t6a n ALA 28 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1t6a n ALA 28 Cb 0.15 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.79 1t6a n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1t6a h LEU 29 N 0.00 0.61 -0.63 0.00 3.38 -1.52 -1.74 115.31 115.42 1t6a h LEU 29 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1t6a h LEU 29 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1t6a h LEU 29 CO 0.00 0.77 0.37 0.50 0.09 0.00 0.00 178.44 180.16 1t6a h LYS 30 N 0.57 0.86 -0.60 1.13 3.64 -1.55 -0.93 116.57 119.69 1t6a h LYS 30 Ca 0.10 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1t6a h LYS 30 Cb 0.56 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1t6a h LYS 30 CO 0.04 0.63 0.13 0.87 -2.27 0.00 0.00 179.45 178.85 1t6a h LYS 31 N 0.85 0.94 -0.55 1.90 1.57 -1.75 -0.22 116.57 119.32 1t6a h LYS 31 Ca 0.22 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1t6a h LYS 31 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1t6a h LYS 31 CO -0.04 0.85 0.19 1.15 -0.57 0.00 0.00 179.45 181.03 1t6a h THR 32 N 0.90 1.23 -0.88 -0.16 2.02 -1.10 -2.55 112.91 112.36 1t6a h THR 32 Ca 0.19 -0.74 0.07 0.00 0.77 0.00 0.00 66.41 66.69 1t6a h THR 32 Cb 0.35 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1t6a h THR 32 CO 0.00 0.28 0.55 1.23 0.37 0.00 0.00 175.52 177.95 1t6a h GLY 33 N 0.75 1.34 1.33 2.16 0.00 -0.62 -1.60 103.07 106.44 1t6a h GLY 33 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1t6a h GLY 33 CO -0.01 0.26 0.24 0.83 0.00 0.00 0.00 176.54 177.86 1t6a h GLU 34 N 0.99 0.86 -0.64 4.80 5.08 -0.79 -1.78 114.58 123.10 1t6a h GLU 34 Ca 0.39 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1t6a h GLU 34 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1t6a h GLU 34 CO -0.18 0.70 0.05 1.96 -1.00 0.00 0.00 179.01 180.54 1t6a h GLN 35 N 0.85 1.10 -0.42 2.33 4.20 -0.95 -0.78 115.11 121.44 1t6a h GLN 35 Ca 0.20 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1t6a h GLN 35 Cb 0.16 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1t6a h GLN 35 CO -0.02 1.04 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.04 1t6a h LEU 36 N 1.01 0.71 -0.17 1.46 3.38 -0.90 -1.45 115.31 119.35 1t6a h LEU 36 Ca 0.19 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1t6a h LEU 36 Cb 0.51 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1t6a h LEU 36 CO 0.02 0.82 -0.06 1.23 0.09 0.00 0.00 178.44 180.54 1t6a h GLY 37 N 0.97 0.38 0.71 0.83 0.00 -0.98 -1.85 103.07 103.13 1t6a h GLY 37 Ca 0.12 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.20 1t6a h GLY 37 CO 0.03 0.30 0.64 -0.25 0.00 0.00 0.00 176.54 177.26 1t6a h TRP 38 N 0.04 1.17 -0.85 5.60 7.01 -1.08 -0.42 115.95 127.42 1t6a h TRP 38 Ca 0.04 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1t6a h TRP 38 Cb 0.52 -0.38 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 1t6a h TRP 38 CO 0.06 0.59 0.41 0.00 -2.79 0.00 0.00 178.44 176.71 1t6a h ALA 39 N 1.48 1.12 -0.30 2.65 0.00 -1.02 -1.86 119.26 121.33 1t6a h ALA 39 Ca 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1t6a h ALA 39 Cb 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1t6a h ALA 39 CO -0.18 0.67 0.15 -0.92 0.00 0.00 0.00 179.25 178.97 1t6a h TYR 40 N 1.21 0.42 -0.61 0.00 3.20 -0.46 -2.41 116.97 118.33 1t6a h TYR 40 Ca 0.29 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.21 1t6a h TYR 40 Cb 0.11 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 1t6a h TYR 40 CO 0.02 0.37 0.30 0.93 -1.64 0.00 0.00 178.16 178.13 1t6a h GLU 41 N 0.35 0.53 -0.44 1.82 5.08 -0.73 -0.61 114.58 120.58 1t6a h GLU 41 Ca 0.10 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1t6a h GLU 41 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1t6a h GLU 41 CO -0.01 0.35 -0.25 1.96 -1.00 0.00 0.00 179.01 180.06 1t6a h GLN 42 N 0.55 0.95 -0.06 2.33 1.08 -1.30 -2.68 115.11 115.97 1t6a h GLN 42 Ca 0.28 -0.43 -0.15 0.00 -1.45 0.00 0.00 58.65 56.90 1t6a h GLN 42 Cb 0.24 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1t6a h GLN 42 CO -0.22 1.09 -0.64 0.00 -0.95 0.00 0.00 178.83 178.12 1t6a h ALA 43 N 0.83 0.82 0.00 3.87 0.00 -1.22 -3.15 119.26 120.40 1t6a h ALA 43 Ca 0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1t6a h ALA 43 Cb 0.83 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1t6a h ALA 43 CO 0.07 0.75 -0.19 0.00 0.00 0.00 0.00 179.25 179.89 1t6a h ALA 44 N 1.18 0.90 -2.21 0.00 0.00 -1.05 -3.36 119.26 114.71 1t6a h ALA 44 Ca -0.01 -0.17 -0.58 0.00 0.00 0.00 0.00 54.91 54.15 1t6a h ALA 44 Cb 1.15 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.52 1t6a h ALA 44 CO 0.10 0.24 -0.96 0.34 0.00 0.00 0.00 179.25 178.96 1t6a n PHE 45 N -3.18 0.31 -1.27 0.00 7.35 -1.02 -5.01 117.46 114.64 1t6a n PHE 45 Ca 0.03 -3.63 -0.23 0.00 -0.76 0.00 0.00 57.45 52.86 1t6a n PHE 45 Cb 0.56 -0.23 -0.10 0.00 0.35 0.00 0.00 39.48 40.06 1t6a n PHE 45 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1t6a n PRO 46 N 1.77 2.64 -4.06 -7.13 -0.04 -1.19 -4.83 135.00 122.15 1t6a n PRO 46 Ca 0.25 -1.78 -0.11 0.00 -0.04 0.00 0.00 63.50 61.82 1t6a n PRO 46 Cb 0.49 -2.23 -0.11 0.00 -0.04 0.00 0.00 33.50 31.60 1t6a n PRO 46 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1t6a s TYR 47 N 0.32 0.59 -0.13 0.54 2.02 -1.26 -0.90 117.35 118.54 1t6a s TYR 47 Ca 0.64 -0.62 -0.04 0.00 -0.37 0.00 0.00 57.07 56.69 1t6a s TYR 47 Cb 0.30 -0.37 -0.03 0.00 -0.40 0.00 0.00 41.96 41.46 1t6a s TYR 47 CO -0.08 -0.14 0.00 0.99 -1.57 0.00 0.00 175.55 174.75 1t6a s THR 48 N -1.95 4.30 -0.21 -0.71 2.01 -0.35 -4.90 115.64 113.82 1t6a s THR 48 Ca -0.07 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.60 1t6a s THR 48 Cb -0.06 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1t6a s THR 48 CO -0.02 0.54 0.15 -0.69 -0.69 0.00 0.00 174.62 173.92 1t6a s VAL 49 N -0.26 5.38 0.10 3.82 1.01 -1.26 -1.05 120.40 128.15 1t6a s VAL 49 Ca 0.06 0.22 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1t6a s VAL 49 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1t6a s VAL 49 CO 0.02 0.40 -0.13 0.00 0.00 0.00 0.00 175.10 175.39 1t6a s ARG 50 N 0.64 0.91 -0.13 2.72 1.70 -0.45 -5.00 118.95 119.35 1t6a s ARG 50 Ca 0.08 -1.15 -0.00 0.00 -0.47 0.00 0.00 55.73 54.19 1t6a s ARG 50 Cb -0.12 -0.75 -0.02 0.00 -0.57 0.00 0.00 34.95 33.49 1t6a s ARG 50 CO 0.01 0.14 -0.13 -1.50 -1.08 0.00 0.00 175.30 172.75 1t6a s ILE 51 N -2.05 3.10 -0.08 4.99 2.07 -1.26 0.13 121.20 128.09 1t6a s ILE 51 Ca 0.05 -0.65 -0.03 0.00 -1.41 0.00 0.00 60.65 58.61 1t6a s ILE 51 Cb -0.05 -2.30 0.05 0.00 0.13 0.00 0.00 42.46 40.28 1t6a s ILE 51 CO 0.02 0.52 0.15 -2.28 -1.91 0.00 0.00 174.94 171.45 1t6a s HIS 52 N 0.34 -0.17 -1.31 3.50 2.46 -0.65 -4.91 115.29 114.55 1t6a s HIS 52 Ca -0.10 0.59 -0.01 0.00 0.47 0.00 0.00 55.06 56.00 1t6a s HIS 52 Cb -0.16 -0.26 -0.00 0.00 -0.13 0.00 0.00 32.58 32.03 1t6a s HIS 52 CO 0.06 -0.26 0.66 0.39 -2.47 0.00 0.00 174.74 173.11 1t6a n GLU 53 N 5.25 -4.38 -1.78 2.88 1.02 -1.26 -2.47 120.64 119.89 1t6a n GLU 53 Ca -0.06 0.58 -0.21 0.00 -0.02 0.00 0.00 57.16 57.45 1t6a n GLU 53 Cb 0.50 -5.02 -0.07 0.00 -0.02 0.00 0.00 31.44 26.82 1t6a n GLU 53 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1t6a n SER 54 N -3.03 -5.62 -4.23 1.62 7.64 -1.26 -4.99 113.62 103.74 1t6a n SER 54 Ca -0.29 0.40 -0.31 0.00 1.01 0.00 0.00 58.87 59.68 1t6a n SER 54 Cb 0.67 -4.90 -0.17 0.00 -1.01 0.00 0.00 64.21 58.81 1t6a n SER 54 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t6a s VAL 55 N -2.84 1.99 -0.22 0.44 1.01 -1.03 -4.63 120.40 115.12 1t6a s VAL 55 Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 1t6a s VAL 55 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1t6a s VAL 55 CO 0.00 0.55 0.67 -0.76 0.00 0.00 0.00 175.10 175.56 1t6a s LEU 56 N 0.07 4.11 -0.22 3.92 1.43 0.52 -1.63 118.68 126.88 1t6a s LEU 56 Ca -0.10 0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 53.76 1t6a s LEU 56 Cb -0.15 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1t6a s LEU 56 CO 0.06 -0.35 0.05 -0.31 0.23 0.00 0.00 176.35 176.03 1t6a s TYR 57 N 2.27 3.11 -0.24 0.29 2.02 0.12 -0.43 117.35 124.49 1t6a s TYR 57 Ca 0.29 -0.31 -0.14 0.00 -0.37 0.00 0.00 57.07 56.54 1t6a s TYR 57 Cb -0.16 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1t6a s TYR 57 CO 0.09 -0.20 0.32 -0.51 -1.57 0.00 0.00 175.55 173.68 1t6a s LEU 58 N 1.15 4.09 -0.22 -1.29 1.02 -1.26 -1.34 118.68 120.84 1t6a s LEU 58 Ca 0.04 0.31 -0.08 0.00 0.02 0.00 0.00 54.13 54.42 1t6a s LEU 58 Cb -0.14 -2.37 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 1t6a s LEU 58 CO 0.03 -0.08 0.08 -1.58 0.02 0.00 0.00 176.35 174.81 1t6a s GLN 59 N 1.56 3.85 0.23 1.70 0.74 -0.22 -4.25 119.66 123.27 1t6a s GLN 59 Ca 0.14 -0.39 -0.30 0.00 0.05 0.00 0.00 55.36 54.86 1t6a s GLN 59 Cb -0.15 -3.30 -0.09 0.00 1.10 0.00 0.00 33.01 30.58 1t6a s GLN 59 CO 0.08 0.06 0.98 0.20 -0.55 0.00 0.00 175.29 176.06 1t6a s GLY 60 N 0.98 3.09 -0.00 2.59 0.00 -0.35 -1.21 107.32 112.40 1t6a s GLY 60 Ca 0.04 0.68 -0.30 0.00 0.00 0.00 0.00 44.72 45.14 1t6a s GLY 60 CO 0.03 1.30 1.24 0.99 0.00 0.00 0.00 173.10 176.66 1t6a s ASP 61 N -0.96 7.02 0.27 1.64 1.01 -0.08 -4.76 116.67 120.81 1t6a s ASP 61 Ca 0.43 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.64 1t6a s ASP 61 Cb -0.27 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.09 1t6a s ASP 61 CO 0.34 -0.57 0.00 0.61 0.21 0.00 0.00 175.17 175.76 1t6a n GLY 62 N 3.37 -1.85 0.25 0.21 0.00 -1.26 -3.99 105.19 101.93 1t6a n GLY 62 Ca 0.11 -1.32 0.15 0.00 0.00 0.00 0.00 46.02 44.96 1t6a n GLY 62 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1t6a h ARG 63 N 0.00 0.00 0.00 1.61 0.11 -2.03 -3.27 114.38 110.80 1t6a h ARG 63 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1t6a h ARG 63 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1t6a h ARG 63 CO 0.00 0.00 -0.29 1.28 0.10 0.00 0.00 179.97 181.06 1t6a n LEU 64 N -3.08 0.38 -3.77 0.08 4.77 -1.26 -4.74 117.00 109.37 1t6a n LEU 64 Ca 0.02 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 1t6a n LEU 64 Cb 0.39 -0.34 -0.17 0.00 -2.33 0.00 0.00 43.42 40.97 1t6a n LEU 64 CO 0.30 0.02 -0.38 -0.31 -1.33 0.00 0.00 177.39 175.69 1t6a s TYR 65 N -3.03 0.61 -0.14 -1.77 2.02 -1.23 -4.16 117.35 109.64 1t6a s TYR 65 Ca 0.11 -0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 56.57 1t6a s TYR 65 Cb 0.17 -0.75 -0.07 0.00 -0.40 0.00 0.00 41.96 40.90 1t6a s TYR 65 CO 0.63 -0.30 0.02 -0.22 -1.57 0.00 0.00 175.55 174.11 1t6a h LYS 66 N 8.23 0.00 0.00 -0.62 3.64 -1.85 -3.34 116.57 122.63 1t6a h LYS 66 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1t6a h LYS 66 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1t6a h LYS 66 CO 0.27 0.26 0.00 0.41 -2.27 0.00 0.00 179.45 178.13 1t6a n GLY 67 N 1.62 0.37 3.27 5.01 0.00 -1.26 -1.22 105.19 112.99 1t6a n GLY 67 Ca -0.10 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 1t6a n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6a s ALA 69 N -1.00 -1.06 -0.09 4.61 0.00 -0.43 -4.44 121.76 119.36 1t6a s ALA 69 Ca 0.00 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.53 1t6a s ALA 69 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1t6a s ALA 69 CO 0.00 -0.29 -0.22 0.42 0.00 0.00 0.00 175.76 175.67 1t6a s ILE 70 N 1.46 1.87 0.17 0.00 1.01 0.43 -0.55 121.20 125.59 1t6a s ILE 70 Ca -0.09 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 1t6a s ILE 70 Cb -0.09 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1t6a s ILE 70 CO -0.13 0.52 0.23 -0.94 0.00 0.00 0.00 174.94 174.62 1t6a s SER 71 N 0.31 0.11 -0.12 3.58 1.04 -0.74 -0.35 113.70 117.53 1t6a s SER 71 Ca -0.15 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.19 1t6a s SER 71 Cb -0.17 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1t6a s SER 71 CO 0.07 -0.87 0.06 -0.69 0.98 0.00 0.00 173.24 172.78 1t6a s VAL 72 N -4.02 4.77 -0.04 5.02 1.01 -1.26 -0.95 120.40 124.93 1t6a s VAL 72 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1t6a s VAL 72 Cb 0.04 -3.07 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1t6a s VAL 72 CO 0.03 0.57 -0.17 -0.60 0.00 0.00 0.00 175.10 174.93 1t6a s ARG 73 N -0.54 1.66 0.02 2.72 3.52 -0.41 -4.97 118.95 120.95 1t6a s ARG 73 Ca 0.10 -0.59 0.09 0.00 -0.13 0.00 0.00 55.73 55.21 1t6a s ARG 73 Cb -0.12 -1.47 -0.03 0.00 -1.56 0.00 0.00 34.95 31.78 1t6a s ARG 73 CO 0.02 0.25 -0.26 0.95 -0.81 0.00 0.00 175.30 175.46 1t6a s THR 74 N -0.02 2.07 -0.16 4.11 -4.23 -1.26 -0.45 115.64 115.70 1t6a s THR 74 Ca -0.02 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1t6a s THR 74 Cb -0.11 -1.75 0.08 0.00 1.34 0.00 0.00 72.50 72.06 1t6a s THR 74 CO 0.02 0.44 0.26 0.00 -0.54 0.00 0.00 174.62 174.79 1t6a s ALA 75 N -0.73 -0.49 0.00 3.99 0.00 -0.75 -5.01 121.76 118.77 1t6a s ALA 75 Ca 0.11 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1t6a s ALA 75 Cb -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1t6a s ALA 75 CO 0.01 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1t6a n GLY 76 N 5.34 3.59 1.53 0.00 0.00 -1.26 -1.63 105.19 112.76 1t6a n GLY 76 Ca -0.06 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1t6a n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t6a n GLU 77 N 13.94 3.60 -3.82 1.61 1.02 -1.26 -4.94 120.64 130.78 1t6a n GLU 77 Ca 0.00 -2.70 -0.32 0.00 -0.02 0.00 0.00 57.16 54.12 1t6a n GLU 77 Cb 0.00 -1.87 -0.05 0.00 -0.02 0.00 0.00 31.44 29.51 1t6a n GLU 77 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1t6a s GLU 78 N -1.84 3.52 -0.01 3.49 2.02 -0.65 -5.10 118.70 120.12 1t6a s GLU 78 Ca 0.48 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 55.25 1t6a s GLU 78 Cb 0.31 -3.00 -0.00 0.00 0.10 0.00 0.00 34.13 31.54 1t6a s GLU 78 CO 0.23 0.58 -0.09 0.99 0.02 0.00 0.00 175.26 176.99 1t6a s THR 79 N -1.50 0.75 0.06 3.63 2.01 -1.26 -1.81 115.64 117.52 1t6a s THR 79 Ca 0.35 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.00 1t6a s THR 79 Cb -0.13 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 1t6a s THR 79 CO 0.24 0.22 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.91 1t6a s PHE 80 N -0.11 1.05 -0.21 4.92 0.08 0.40 -5.01 117.98 119.10 1t6a s PHE 80 Ca 0.02 -0.48 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 1t6a s PHE 80 Cb -0.05 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.78 1t6a s PHE 80 CO -0.00 0.01 0.03 0.42 -0.10 0.00 0.00 175.22 175.58 1t6a s ILE 81 N -1.34 4.21 -0.12 0.64 1.01 -1.26 -1.28 121.20 123.05 1t6a s ILE 81 Ca -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 1t6a s ILE 81 Cb -0.10 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1t6a s ILE 81 CO 0.02 0.41 0.02 -1.81 0.00 0.00 0.00 174.94 173.58 1t6a s ASP 82 N 1.04 5.38 -0.25 3.58 1.01 -0.12 -4.98 116.67 122.32 1t6a s ASP 82 Ca 0.03 0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.44 1t6a s ASP 82 Cb -0.14 -1.69 0.06 0.00 1.01 0.00 0.00 42.92 42.15 1t6a s ASP 82 CO 0.02 0.30 -0.12 -0.63 0.21 0.00 0.00 175.17 174.96 1t6a s ILE 83 N -0.43 2.14 -0.22 0.77 1.01 -1.26 -1.78 121.20 121.43 1t6a s ILE 83 Ca 0.08 -1.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.11 1t6a s ILE 83 Cb -0.12 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1t6a s ILE 83 CO 0.02 0.04 0.09 0.00 0.00 0.00 0.00 174.94 175.09 1t6a s ALA 84 N 1.13 3.36 -0.13 9.38 0.00 0.28 -4.96 121.76 130.83 1t6a s ALA 84 Ca -0.07 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 1t6a s ALA 84 Cb -0.19 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1t6a s ALA 84 CO -0.06 -0.16 0.35 -0.51 0.00 0.00 0.00 175.76 175.38 1t6a s LEU 85 N 1.00 4.28 0.84 0.00 1.43 -1.26 -1.32 118.68 123.65 1t6a s LEU 85 Ca 0.05 0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 53.67 1t6a s LEU 85 Cb -0.14 -2.48 0.10 0.00 0.03 0.00 0.00 46.19 43.70 1t6a s LEU 85 CO 0.03 0.10 1.09 -2.16 0.23 0.00 0.00 176.35 175.64 1t6a s PRO 86 N 0.34 1.72 0.34 1.29 0.04 -1.26 -4.91 135.00 132.57 1t6a s PRO 86 Ca 0.20 0.84 0.11 0.00 0.04 0.00 0.00 61.00 62.18 1t6a s PRO 86 Cb -0.14 -1.86 0.90 0.00 0.04 0.00 0.00 34.50 33.44 1t6a s PRO 86 CO 0.07 -1.92 1.77 -1.35 0.04 0.00 0.00 177.00 175.60 1t6a h PRO 87 N -1.32 0.58 -0.47 0.56 0.11 -1.98 -1.62 132.00 127.86 1t6a h PRO 87 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1t6a h PRO 87 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1t6a h PRO 87 CO 0.55 0.38 0.00 0.41 -0.21 0.00 0.00 178.00 179.14 1t6a n GLY 88 N -1.37 0.83 3.78 -0.55 0.00 -1.26 -4.97 105.19 101.65 1t6a n GLY 88 Ca 0.24 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1t6a n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6a s ALA 89 N -1.64 3.58 0.63 4.61 0.00 -0.61 -4.83 121.76 123.50 1t6a s ALA 89 Ca 0.18 1.59 -0.05 0.00 0.00 0.00 0.00 51.96 53.68 1t6a s ALA 89 Cb 0.11 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1t6a s ALA 89 CO 0.09 -1.07 0.92 0.95 0.00 0.00 0.00 175.76 176.65 1t6a s THR 90 N -1.09 2.84 0.26 0.00 -4.23 -1.26 -4.93 115.64 107.22 1t6a s THR 90 Ca 0.53 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 1t6a s THR 90 Cb -0.47 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 70.50 1t6a s THR 90 CO 0.63 -0.15 1.65 -0.74 -0.54 0.00 0.00 174.62 175.47 1t6a h HIS 91 N -0.30 0.19 -0.26 3.99 2.76 -1.94 -2.05 115.15 117.53 1t6a h HIS 91 Ca -0.44 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 57.77 1t6a h HIS 91 Cb 1.29 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.28 1t6a h HIS 91 CO 0.39 -0.19 0.13 0.78 -1.30 0.00 0.00 177.93 177.73 1t6a h GLY 92 N 0.18 0.40 0.75 5.26 0.00 -1.94 -2.78 103.07 104.94 1t6a h GLY 92 Ca 0.47 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.66 1t6a h GLY 92 CO -0.63 0.19 0.54 -0.55 0.00 0.00 0.00 176.54 176.09 1t6a h ASP 93 N 0.30 0.86 -0.15 0.19 3.32 -1.62 -1.05 116.42 118.26 1t6a h ASP 93 Ca 0.09 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1t6a h ASP 93 Cb 0.11 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1t6a h ASP 93 CO -0.01 0.56 0.08 0.11 -1.72 0.00 0.00 179.24 178.25 1t6a h LYS 94 N 1.00 0.22 -0.49 3.56 1.57 -1.19 -0.24 116.57 121.00 1t6a h LYS 94 Ca 0.37 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1t6a h LYS 94 Cb 0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1t6a h LYS 94 CO -0.16 0.27 0.29 0.78 -0.57 0.00 0.00 179.45 180.05 1t6a h GLY 95 N 0.12 0.69 1.22 3.86 0.00 -1.22 -0.67 103.07 107.07 1t6a h GLY 95 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1t6a h GLY 95 CO -0.01 0.19 0.06 0.50 0.00 0.00 0.00 176.54 177.28 1t6a h LYS 96 N 0.58 0.96 -0.55 4.80 1.79 -0.95 -0.59 116.57 122.61 1t6a h LYS 96 Ca 0.20 -0.25 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 1t6a h LYS 96 Cb 0.02 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 1t6a h LYS 96 CO -0.09 0.91 0.08 0.00 -1.08 0.00 0.00 179.45 179.27 1t6a h ALA 97 N 1.16 0.74 -0.48 3.86 0.00 -0.79 -0.81 119.26 122.94 1t6a h ALA 97 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1t6a h ALA 97 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1t6a h ALA 97 CO 0.02 0.49 0.31 -0.91 0.00 0.00 0.00 179.25 179.15 1t6a h ASN 98 N 0.82 0.57 -0.07 0.00 2.35 -0.73 -0.98 115.58 117.53 1t6a h ASN 98 Ca 0.17 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1t6a h ASN 98 Cb 0.43 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1t6a h ASN 98 CO 0.01 0.43 0.04 -0.33 -1.65 0.00 0.00 177.43 175.94 1t6a h GLU 99 N 0.65 0.09 -0.35 0.81 5.08 -0.67 -2.09 114.58 118.10 1t6a h GLU 99 Ca 0.17 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1t6a h GLU 99 Cb -0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1t6a h GLU 99 CO -0.04 0.11 -0.19 0.35 -1.00 0.00 0.00 179.01 178.25 1t6a h PHE 100 N 0.05 0.73 -0.36 4.33 3.57 -1.08 -2.39 116.94 121.80 1t6a h PHE 100 Ca 0.02 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 1t6a h PHE 100 Cb 0.04 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1t6a h PHE 100 CO -0.06 0.80 -0.00 0.66 -2.23 0.00 0.00 178.31 177.48 1t6a h SER 101 N 0.58 0.63 -0.31 0.41 4.64 -1.00 -0.38 113.55 118.12 1t6a h SER 101 Ca 0.09 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1t6a h SER 101 Cb 0.65 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1t6a h SER 101 CO 0.05 0.78 0.12 0.11 -0.87 0.00 0.00 176.83 177.02 1t6a h LYS 102 N 0.45 0.47 -0.70 4.77 1.57 -1.34 -0.37 116.57 121.42 1t6a h LYS 102 Ca 0.10 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1t6a h LYS 102 Cb 0.47 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 1t6a h LYS 102 CO 0.02 0.49 0.43 2.35 -0.57 0.00 0.00 179.45 182.17 1t6a h TRP 103 N 0.35 0.79 -0.47 -1.35 7.01 -1.31 -1.19 115.95 119.79 1t6a h TRP 103 Ca 0.10 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.14 1t6a h TRP 103 Cb 0.20 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1t6a h TRP 103 CO -0.00 0.43 0.30 1.25 -2.79 0.00 0.00 178.44 177.63 1t6a h LEU 104 N 0.82 0.51 -0.45 0.65 5.85 -0.73 -0.40 115.31 121.55 1t6a h LEU 104 Ca 0.29 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1t6a h LEU 104 Cb 0.08 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1t6a h LEU 104 CO -0.13 0.37 0.11 0.00 -0.34 0.00 0.00 178.44 178.45 1t6a h ALA 105 N 1.18 0.60 -0.46 1.25 0.00 -0.70 -0.72 119.26 120.41 1t6a h ALA 105 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1t6a h ALA 105 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1t6a h ALA 105 CO -0.05 0.28 0.24 0.87 0.00 0.00 0.00 179.25 180.59 1t6a h LYS 106 N 0.60 0.63 0.09 0.00 1.57 -1.04 0.18 116.57 118.60 1t6a h LYS 106 Ca 0.14 -0.06 -0.23 0.00 -1.87 0.00 0.00 60.65 58.63 1t6a h LYS 106 Cb 0.32 -0.13 0.02 0.00 0.08 0.00 0.00 32.23 32.52 1t6a h LYS 106 CO 0.00 0.47 -0.96 1.15 -0.57 0.00 0.00 179.45 179.54 1t6a h THR 107 N 0.63 1.37 0.00 -0.16 2.02 -0.52 -3.37 112.91 112.88 1t6a h THR 107 Ca 0.16 -2.36 -0.10 0.00 0.77 0.00 0.00 66.41 64.89 1t6a h THR 107 Cb 0.03 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 1t6a h THR 107 CO -0.03 0.70 -2.08 0.18 0.37 0.00 0.00 175.52 174.66 1t6a n LEU 108 N -3.99 0.02 -0.08 2.58 4.77 -0.33 -5.10 117.00 114.87 1t6a n LEU 108 Ca -0.13 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 55.87 1t6a n LEU 108 Cb 0.86 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1t6a n LEU 108 CO 0.53 0.13 -0.02 0.61 -1.33 0.00 0.00 177.39 177.31 1t6a n GLY 109 N 1.39 -1.49 0.00 -0.72 0.00 0.62 -5.06 105.19 99.92 1t6a n GLY 109 Ca -0.11 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1t6a n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t6a n GLY 110 N -1.56 -0.08 3.05 -0.02 0.00 -0.54 -4.82 105.19 101.22 1t6a n GLY 110 Ca -0.00 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.52 1t6a n GLY 110 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t6a s GLU 111 N 0.00 2.37 -0.21 1.61 2.12 -1.26 -0.80 118.70 122.52 1t6a s GLU 111 Ca 0.00 -0.89 -0.16 0.00 0.36 0.00 0.00 54.97 54.28 1t6a s GLU 111 Cb 0.00 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 1t6a s GLU 111 CO 0.00 -0.37 0.39 -1.17 -0.54 0.00 0.00 175.26 173.58 1t6a s LEU 112 N 1.33 4.14 -0.42 2.70 2.96 -1.26 -5.02 118.68 123.10 1t6a s LEU 112 Ca -0.00 0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 1t6a s LEU 112 Cb -0.16 -2.50 0.11 0.00 0.50 0.00 0.00 46.19 44.14 1t6a s LEU 112 CO -0.09 -0.09 0.24 -1.00 -1.32 0.00 0.00 176.35 174.09 1t6a s HIS 113 N 1.39 3.51 0.60 5.38 3.76 -1.26 -4.20 115.29 124.46 1t6a s HIS 113 Ca 0.19 -2.16 -0.14 0.00 -0.15 0.00 0.00 55.06 52.80 1t6a s HIS 113 Cb -0.15 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.29 1t6a s HIS 113 CO 0.08 -0.96 1.03 -0.51 -0.85 0.00 0.00 174.74 173.54 1t6a s LEU 114 N 1.23 3.42 0.23 0.89 1.43 -0.33 -4.95 118.68 120.60 1t6a s LEU 114 Ca 0.06 1.65 0.24 0.00 -1.03 0.00 0.00 54.13 55.05 1t6a s LEU 114 Cb -0.24 -4.51 0.93 0.00 0.03 0.00 0.00 46.19 42.41 1t6a s LEU 114 CO -0.03 -1.01 1.71 2.22 0.23 0.00 0.00 176.35 179.48 1t6a n PHE 115 N -2.23 0.77 0.67 0.29 1.16 -1.26 -1.58 117.46 115.28 1t6a n PHE 115 Ca 0.07 0.28 0.08 0.00 -1.87 0.00 0.00 57.45 56.01 1t6a n PHE 115 Cb 0.53 -0.96 0.37 0.00 -1.61 0.00 0.00 39.48 37.82 1t6a n PHE 115 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1t6a n SER 116 N -2.18 0.00 0.00 5.98 3.41 -1.26 -4.87 113.62 114.70 1t6a n SER 116 Ca 0.03 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1t6a n SER 116 Cb 0.27 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1t6a n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t6a n GLY 117 N 0.06 0.99 3.76 5.00 0.00 -0.61 -5.06 105.19 109.32 1t6a n GLY 117 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1t6a n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1t6a s ARG 118 N -0.63 4.73 0.33 1.61 3.52 -1.26 -4.87 118.95 122.38 1t6a s ARG 118 Ca 0.00 1.67 0.02 0.00 -0.13 0.00 0.00 55.73 57.29 1t6a s ARG 118 Cb 0.00 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1t6a s ARG 118 CO 0.00 0.34 0.15 2.41 -0.81 0.00 0.00 175.30 177.38 1t6a n THR 119 N 1.30 0.00 -3.60 4.11 -1.04 -1.26 -1.19 114.28 112.59 1t6a n THR 119 Ca -0.01 -1.42 -0.02 0.00 -2.04 0.00 0.00 64.05 60.55 1t6a n THR 119 Cb 0.46 0.01 -0.05 0.00 -1.82 0.00 0.00 70.33 68.93 1t6a n THR 119 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1t6a s VAL 121 N -1.89 -0.49 -0.46 12.58 1.01 -1.26 -4.98 120.40 124.91 1t6a s VAL 121 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1t6a s VAL 121 Cb -0.01 -1.00 0.12 0.00 0.00 0.00 0.00 36.38 35.49 1t6a s VAL 121 CO 0.07 0.00 0.26 -0.36 0.00 0.00 0.00 175.10 175.07 1t6a s PHE 122 N 2.25 3.54 -1.52 5.22 0.08 0.02 -5.02 117.98 122.56 1t6a s PHE 122 Ca -0.07 -2.50 0.00 0.00 0.12 0.00 0.00 56.93 54.48 1t6a s PHE 122 Cb -0.08 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 1t6a s PHE 122 CO -0.18 -0.94 0.38 0.41 -0.10 0.00 0.00 175.22 174.78