#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huh s ILE 21 N 0.00 5.32 -0.18 1.39 -1.09 -1.26 -5.00 121.20 120.38 3huh s ILE 21 Ca 0.00 0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 58.81 3huh s ILE 21 Cb 0.00 -3.60 -0.22 0.00 -1.58 0.00 0.00 42.46 37.06 3huh s ILE 21 CO 0.00 0.38 0.14 -0.67 -1.23 0.00 0.00 174.94 173.56 3huh n ASP 22 N 3.75 2.04 -3.53 3.58 2.03 -1.26 -5.08 116.55 118.08 3huh n ASP 22 Ca -0.12 0.17 -0.02 0.00 0.52 0.00 0.00 54.79 55.33 3huh n ASP 22 Cb 0.52 -0.77 0.01 0.00 -0.72 0.00 0.00 41.12 40.16 3huh n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3huh s ARG 23 N -2.52 1.10 -0.04 -0.67 1.70 -1.26 -5.13 118.95 112.13 3huh s ARG 23 Ca -0.28 -0.68 -0.19 0.00 -0.47 0.00 0.00 55.73 54.11 3huh s ARG 23 Cb 0.08 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 3huh s ARG 23 CO 0.68 -0.51 0.55 0.42 -1.08 0.00 0.00 175.30 175.36 3huh s ILE 24 N -2.47 5.00 -0.22 4.99 1.01 -1.26 -4.97 121.20 123.29 3huh s ILE 24 Ca 0.19 1.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.88 3huh s ILE 24 Cb -0.01 -3.89 -0.19 0.00 0.01 0.00 0.00 42.46 38.38 3huh s ILE 24 CO 0.03 0.40 0.00 -0.67 0.00 0.00 0.00 174.94 174.70 3huh n ASP 25 N 2.96 1.99 -3.42 3.58 2.03 -1.26 -4.94 116.55 117.48 3huh n ASP 25 Ca -0.07 0.21 -0.05 0.00 0.52 0.00 0.00 54.79 55.40 3huh n ASP 25 Cb 0.51 -0.77 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 3huh n ASP 25 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3huh s HIS 26 N -2.49 0.01 0.18 -0.67 -3.43 -1.26 -2.65 115.29 104.97 3huh s HIS 26 Ca -0.31 -0.44 -0.16 0.00 -0.80 0.00 0.00 55.06 53.35 3huh s HIS 26 Cb 0.09 0.71 0.03 0.00 -1.43 0.00 0.00 32.58 31.98 3huh s HIS 26 CO 0.62 -1.05 0.47 -0.48 -2.00 0.00 0.00 174.74 172.30 3huh s LEU 27 N -3.17 0.22 -0.15 5.38 0.05 -1.17 -5.01 118.68 114.83 3huh s LEU 27 Ca 0.17 -0.48 -0.01 0.00 0.05 0.00 0.00 54.13 53.86 3huh s LEU 27 Cb -0.03 1.99 -0.01 0.00 -2.05 0.00 0.00 46.19 46.08 3huh s LEU 27 CO 0.06 -1.00 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.06 3huh s VAL 28 N -3.87 3.17 -0.16 1.48 1.01 -1.26 -0.74 120.40 120.04 3huh s VAL 28 Ca 0.09 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 3huh s VAL 28 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3huh s VAL 28 CO -0.04 0.51 0.02 -0.76 0.00 0.00 0.00 175.10 174.82 3huh s LEU 29 N 0.54 3.60 -0.26 3.92 1.43 -0.44 -4.98 118.68 122.49 3huh s LEU 29 Ca -0.07 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 3huh s LEU 29 Cb -0.15 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3huh s LEU 29 CO 0.04 0.21 0.20 -0.89 0.23 0.00 0.00 176.35 176.14 3huh s THR 30 N 0.13 5.31 0.20 5.49 2.01 -1.26 -1.26 115.64 126.26 3huh s THR 30 Ca 0.02 0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.33 3huh s THR 30 Cb -0.13 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 3huh s THR 30 CO 0.01 0.27 -0.15 0.68 -0.69 0.00 0.00 174.62 174.75 3huh s VAL 31 N 1.53 1.74 0.12 3.82 -7.23 0.50 -3.59 120.40 117.30 3huh s VAL 31 Ca 0.08 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.01 3huh s VAL 31 Cb -0.15 -1.99 -0.13 0.00 0.56 0.00 0.00 36.38 34.67 3huh s VAL 31 CO 0.09 -0.54 1.35 0.77 -0.31 0.00 0.00 175.10 176.46 3huh h SER 32 N 2.71 0.86 -2.80 4.85 4.64 -1.96 -0.19 113.55 121.66 3huh h SER 32 Ca -0.39 -0.54 -0.42 0.00 -0.47 0.00 0.00 61.79 59.97 3huh h SER 32 Cb 1.22 -0.25 -0.39 0.00 -0.31 0.00 0.00 62.40 62.67 3huh h SER 32 CO 0.60 1.33 -0.71 -0.62 -0.87 0.00 0.00 176.83 176.55 3huh s ASP 33 N -7.05 2.19 0.24 4.97 2.15 -1.26 -4.51 116.67 113.40 3huh s ASP 33 Ca -0.09 -0.60 -0.05 0.00 0.43 0.00 0.00 52.55 52.24 3huh s ASP 33 Cb 0.09 -0.02 0.38 0.00 -0.30 0.00 0.00 42.92 43.07 3huh s ASP 33 CO 0.89 -0.36 1.83 0.40 -0.17 0.00 0.00 175.17 177.76 3huh h ILE 34 N 6.38 0.96 -0.52 4.11 2.04 -1.93 -1.80 117.51 126.76 3huh h ILE 34 Ca -0.16 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3huh h ILE 34 Cb 1.13 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 3huh h ILE 34 CO 0.31 0.16 0.25 0.28 0.00 0.00 0.00 178.15 179.15 3huh h SER 35 N 0.86 0.34 -0.63 1.72 0.02 -1.99 0.11 113.55 113.99 3huh h SER 35 Ca 0.39 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.31 3huh h SER 35 Cb 0.30 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3huh h SER 35 CO -0.22 0.23 0.11 0.74 -1.14 0.00 0.00 176.83 176.56 3huh h THR 36 N 0.48 1.26 -0.34 -2.27 2.02 -1.87 -1.91 112.91 110.28 3huh h THR 36 Ca 0.23 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 3huh h THR 36 Cb 0.17 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3huh h THR 36 CO -0.18 0.37 0.10 0.74 0.37 0.00 0.00 175.52 176.92 3huh h THR 37 N 0.94 1.21 -0.34 3.16 2.02 -0.79 -2.53 112.91 116.58 3huh h THR 37 Ca 0.19 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.68 3huh h THR 37 Cb 0.42 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3huh h THR 37 CO 0.01 0.24 0.21 0.40 0.37 0.00 0.00 175.52 176.75 3huh h ILE 38 N 0.40 1.07 -0.85 3.11 2.04 -0.65 -1.71 117.51 120.91 3huh h ILE 38 Ca 0.11 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3huh h ILE 38 Cb 0.27 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 3huh h ILE 38 CO -0.00 0.08 0.53 0.03 0.00 0.00 0.00 178.15 178.78 3huh h ARG 39 N 0.44 0.93 0.27 2.37 3.08 -1.23 -0.38 114.38 119.86 3huh h ARG 39 Ca 0.13 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3huh h ARG 39 Cb -0.03 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.81 3huh h ARG 39 CO -0.04 0.61 -0.13 0.35 -1.07 0.00 0.00 179.97 179.69 3huh h PHE 40 N 0.96 -0.34 -0.20 3.04 3.57 -1.02 -0.93 116.94 122.03 3huh h PHE 40 Ca 0.37 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.80 3huh h PHE 40 Cb 0.18 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3huh h PHE 40 CO -0.03 -0.07 -0.16 1.88 -2.23 0.00 0.00 178.31 177.70 3huh h TYR 41 N -0.57 0.35 0.05 0.41 -1.99 -1.11 0.52 116.97 114.63 3huh h TYR 41 Ca -0.04 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.64 3huh h TYR 41 Cb 0.42 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.05 3huh h TYR 41 CO -0.00 0.48 -0.03 0.93 -0.00 0.00 0.00 178.16 179.54 3huh h GLU 42 N 0.31 -0.07 -0.37 4.88 5.08 -1.06 -0.61 114.58 122.73 3huh h GLU 42 Ca 0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 3huh h GLU 42 Cb 0.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3huh h GLU 42 CO 0.03 0.53 -0.38 0.93 -1.00 0.00 0.00 179.01 179.12 3huh h GLU 43 N -0.79 0.88 0.00 2.33 5.08 -1.12 -2.25 114.58 118.72 3huh h GLU 43 Ca -0.01 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 3huh h GLU 43 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3huh h GLU 43 CO 0.01 1.10 -0.59 0.28 -1.00 0.00 0.00 179.01 178.81 3huh h VAL 44 N 0.72 0.15 0.00 3.13 2.07 -1.05 -3.40 116.25 117.87 3huh h VAL 44 Ca 0.06 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3huh h VAL 44 Cb 0.96 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3huh h VAL 44 CO 0.09 0.05 -0.14 0.18 0.02 0.00 0.00 177.57 177.77 3huh n LEU 45 N -4.60 0.16 -0.29 2.57 7.99 -1.06 -4.94 117.00 116.83 3huh n LEU 45 Ca -0.11 0.37 -0.04 0.00 -0.01 0.00 0.00 56.01 56.22 3huh n LEU 45 Cb 0.32 -0.42 -0.02 0.00 -0.11 0.00 0.00 43.42 43.18 3huh n LEU 45 CO 0.11 0.03 -0.04 0.61 -1.51 0.00 0.00 177.39 176.60 3huh n GLY 46 N 1.49 0.67 3.76 -0.72 0.00 -0.54 -4.98 105.19 104.88 3huh n GLY 46 Ca 0.07 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 3huh n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3huh s PHE 47 N -2.11 2.46 -0.15 1.61 0.08 -0.35 -4.94 117.98 114.58 3huh s PHE 47 Ca 0.00 0.93 0.01 0.00 0.12 0.00 0.00 56.93 57.99 3huh s PHE 47 Cb 0.00 -3.32 0.02 0.00 -0.57 0.00 0.00 43.02 39.15 3huh s PHE 47 CO 0.00 -2.41 -0.16 -1.12 -0.10 0.00 0.00 175.22 171.43 3huh s SER 48 N -3.87 2.76 0.27 1.36 0.01 -0.69 -4.22 113.70 109.32 3huh s SER 48 Ca 0.64 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 57.10 3huh s SER 48 Cb -0.16 -1.23 -0.09 0.00 0.21 0.00 0.00 66.02 64.75 3huh s SER 48 CO 0.54 -0.03 0.95 0.00 0.41 0.00 0.00 173.24 175.11 3huh s ALA 49 N 1.38 3.29 0.16 1.44 0.00 -1.26 -0.32 121.76 126.45 3huh s ALA 49 Ca 0.03 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 3huh s ALA 49 Cb -0.13 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3huh s ALA 49 CO -0.10 0.17 0.10 0.14 0.00 0.00 0.00 175.76 176.07 3huh s VAL 50 N -1.34 0.05 -0.15 0.00 -7.23 -0.24 -4.95 120.40 106.54 3huh s VAL 50 Ca 0.45 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 3huh s VAL 50 Cb -0.24 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.47 3huh s VAL 50 CO 0.30 -0.24 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.79 3huh s THR 51 N -4.10 1.77 0.34 5.32 2.01 -1.26 -1.71 115.64 118.01 3huh s THR 51 Ca 0.31 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.62 3huh s THR 51 Cb 0.07 -1.63 -0.07 0.00 0.01 0.00 0.00 72.50 70.89 3huh s THR 51 CO 0.07 0.49 -0.06 0.72 -0.69 0.00 0.00 174.62 175.15 3huh s PHE 52 N 1.31 2.28 -1.55 4.92 -0.12 0.09 -4.72 117.98 120.19 3huh s PHE 52 Ca 0.03 -0.61 -0.13 0.00 -0.05 0.00 0.00 56.93 56.17 3huh s PHE 52 Cb -0.13 -1.37 0.09 0.00 -0.63 0.00 0.00 43.02 40.98 3huh s PHE 52 CO -0.10 0.45 0.89 1.63 -0.05 0.00 0.00 175.22 178.04 3huh n LYS 53 N -0.76 -4.79 0.00 1.99 4.01 -1.26 -1.05 118.16 116.30 3huh n LYS 53 Ca -0.05 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 3huh n LYS 53 Cb 0.64 -5.32 0.00 0.00 -0.51 0.00 0.00 35.03 29.84 3huh n LYS 53 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 3huh n GLN 54 N -4.57 0.00 -0.17 1.97 7.27 -1.26 -4.13 117.38 116.48 3huh n GLN 54 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.08 3huh n GLN 54 Cb 0.54 -0.20 0.00 0.00 2.41 0.00 0.00 30.24 32.99 3huh n GLN 54 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 3huh n ASN 55 N 1.11 0.00 -4.91 1.69 0.23 -1.16 -5.06 115.26 107.16 3huh n ASN 55 Ca 0.00 -1.30 -0.32 0.00 -0.53 0.00 0.00 54.58 52.43 3huh n ASN 55 Cb 0.00 -0.06 -0.04 0.00 -2.08 0.00 0.00 39.78 37.59 3huh n ASN 55 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3huh s ARG 56 N 0.00 3.49 -0.02 -3.83 0.52 -0.21 -4.93 118.95 113.97 3huh s ARG 56 Ca 0.00 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 3huh s ARG 56 Cb 0.00 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 3huh s ARG 56 CO 0.00 0.60 0.03 0.15 0.02 0.00 0.00 175.30 176.10 3huh s LYS 57 N -2.34 2.92 0.07 3.54 3.01 -1.26 -0.73 119.74 124.95 3huh s LYS 57 Ca 0.34 -0.53 -0.06 0.00 -1.01 0.00 0.00 55.97 54.71 3huh s LYS 57 Cb -0.13 -2.76 -0.02 0.00 -1.01 0.00 0.00 37.83 33.92 3huh s LYS 57 CO 0.24 0.65 0.10 0.00 0.51 0.00 0.00 175.35 176.85 3huh s ALA 58 N -1.09 0.06 -0.21 5.17 0.00 -0.70 -1.09 121.76 123.91 3huh s ALA 58 Ca 0.19 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3huh s ALA 58 Cb -0.12 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.43 3huh s ALA 58 CO 0.10 -0.45 -0.16 -0.51 0.00 0.00 0.00 175.76 174.74 3huh s LEU 59 N -2.84 2.63 0.02 0.00 1.43 0.18 -1.08 118.68 119.01 3huh s LEU 59 Ca 0.05 -0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 52.04 3huh s LEU 59 Cb 0.06 -1.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 3huh s LEU 59 CO -0.10 -0.07 0.54 -0.63 0.23 0.00 0.00 176.35 176.32 3huh s ILE 60 N 1.22 4.88 -0.24 -0.59 -1.09 0.56 -1.05 121.20 124.90 3huh s ILE 60 Ca -0.00 1.14 -0.21 0.00 -2.23 0.00 0.00 60.65 59.35 3huh s ILE 60 Cb -0.16 -3.87 0.06 0.00 -1.58 0.00 0.00 42.46 36.91 3huh s ILE 60 CO -0.10 0.49 0.62 0.72 -1.23 0.00 0.00 174.94 175.45 3huh s PHE 61 N -0.62 -0.70 0.00 3.97 -0.12 -1.03 -1.71 117.98 117.77 3huh s PHE 61 Ca 0.29 1.69 0.00 0.00 -0.05 0.00 0.00 56.93 58.86 3huh s PHE 61 Cb -0.18 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.46 3huh s PHE 61 CO 0.17 -0.34 0.00 0.41 -0.05 0.00 0.00 175.22 175.41 3huh n GLY 62 N 2.83 3.02 1.22 1.99 0.00 -1.26 -0.87 105.19 112.12 3huh n GLY 62 Ca -0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 3huh n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huh n ALA 63 N 9.46 4.41 -4.18 4.61 0.00 -1.26 -4.99 120.51 128.56 3huh n ALA 63 Ca 0.00 -3.21 -0.21 0.00 0.00 0.00 0.00 53.44 50.03 3huh n ALA 63 Cb 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 3huh n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3huh n GLN 64 N -1.11 0.56 -3.46 0.00 6.02 -0.05 -4.99 117.38 114.35 3huh n GLN 64 Ca 0.34 -2.69 -0.11 0.00 -0.01 0.00 0.00 57.00 54.53 3huh n GLN 64 Cb 1.02 1.67 -0.02 0.00 1.02 0.00 0.00 30.24 33.92 3huh n GLN 64 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3huh s LYS 65 N -3.18 1.23 -0.21 -1.09 -2.85 -1.08 -2.48 119.74 110.08 3huh s LYS 65 Ca 0.20 -0.47 0.02 0.00 -1.00 0.00 0.00 55.97 54.72 3huh s LYS 65 Cb 0.01 0.55 0.03 0.00 -2.06 0.00 0.00 37.83 36.37 3huh s LYS 65 CO 0.14 -0.54 -0.16 0.42 0.10 0.00 0.00 175.35 175.31 3huh s ILE 66 N -3.65 2.13 0.25 3.79 1.01 -0.21 -3.06 121.20 121.46 3huh s ILE 66 Ca 0.02 -1.19 -0.22 0.00 0.00 0.00 0.00 60.65 59.27 3huh s ILE 66 Cb -0.01 -2.03 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 3huh s ILE 66 CO -0.11 0.33 0.79 0.20 0.00 0.00 0.00 174.94 176.15 3huh s ASN 67 N 1.22 7.15 -0.07 3.58 0.01 0.08 -0.65 114.94 126.27 3huh s ASN 67 Ca -0.00 1.55 0.02 0.00 -0.71 0.00 0.00 52.86 53.72 3huh s ASN 67 Cb -0.16 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 3huh s ASN 67 CO -0.10 0.01 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.64 3huh s LEU 68 N -1.97 3.00 -0.08 0.60 1.43 -0.25 -1.32 118.68 120.09 3huh s LEU 68 Ca 0.45 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3huh s LEU 68 Cb -0.17 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.41 3huh s LEU 68 CO 0.22 0.34 -0.18 -1.00 0.23 0.00 0.00 176.35 175.95 3huh s HIS 69 N -0.68 2.03 0.02 0.29 3.76 -0.39 -4.47 115.29 115.86 3huh s HIS 69 Ca 0.10 -0.78 -0.09 0.00 -0.15 0.00 0.00 55.06 54.14 3huh s HIS 69 Cb -0.11 -1.40 -0.05 0.00 1.11 0.00 0.00 32.58 32.13 3huh s HIS 69 CO 0.01 -0.34 0.32 -1.14 -0.85 0.00 0.00 174.74 172.75 3huh s GLN 70 N 0.45 3.67 0.47 1.40 0.74 -1.26 -0.37 119.66 124.77 3huh s GLN 70 Ca -0.16 0.07 -0.24 0.00 0.05 0.00 0.00 55.36 55.08 3huh s GLN 70 Cb -0.17 -3.08 -0.08 0.00 1.10 0.00 0.00 33.01 30.79 3huh s GLN 70 CO 0.06 0.63 1.24 1.04 -0.55 0.00 0.00 175.29 177.72 3huh n GLN 71 N 1.20 1.73 -0.51 1.67 6.02 -0.08 -1.48 117.38 125.91 3huh n GLN 71 Ca -0.11 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 3huh n GLN 71 Cb 0.53 -2.39 0.00 0.00 1.02 0.00 0.00 30.24 29.40 3huh n GLN 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3huh n GLU 72 N -0.33 0.00 -2.70 -1.09 -0.58 -1.26 -4.80 120.64 109.88 3huh n GLU 72 Ca 0.08 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.76 3huh n GLU 72 Cb 0.42 -1.87 0.08 0.00 -0.57 0.00 0.00 31.44 29.49 3huh n GLU 72 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huh n MET 73 N -2.00 1.26 -2.79 3.49 0.00 -0.55 -5.11 117.12 111.43 3huh n MET 73 Ca 0.00 -2.49 -0.42 0.00 0.00 0.00 0.00 57.70 54.79 3huh n MET 73 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 33.22 32.56 3huh n MET 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3huh s GLU 74 N -1.56 4.35 0.51 3.17 2.02 -1.17 -4.31 118.70 121.71 3huh s GLU 74 Ca 0.23 1.20 -0.20 0.00 0.02 0.00 0.00 54.97 56.22 3huh s GLU 74 Cb 0.42 -3.56 -0.08 0.00 0.10 0.00 0.00 34.13 31.01 3huh s GLU 74 CO -0.04 -0.34 1.06 -0.06 0.02 0.00 0.00 175.26 175.90 3huh s PHE 75 N 2.16 2.92 0.08 1.61 0.40 -1.26 -5.03 117.98 118.85 3huh s PHE 75 Ca 0.43 1.57 0.03 0.00 -0.60 0.00 0.00 56.93 58.36 3huh s PHE 75 Cb -0.17 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 3huh s PHE 75 CO 0.14 -1.03 0.06 -1.21 0.70 0.00 0.00 175.22 173.88 3huh s GLU 76 N -3.30 2.79 0.76 0.44 0.41 -1.26 -4.12 118.70 114.42 3huh s GLU 76 Ca 0.68 -0.73 -0.11 0.00 -0.41 0.00 0.00 54.97 54.40 3huh s GLU 76 Cb -0.18 -2.68 0.05 0.00 -1.78 0.00 0.00 34.13 29.54 3huh s GLU 76 CO 0.23 0.56 1.08 -1.25 -0.49 0.00 0.00 175.26 175.39 3huh s PRO 77 N -2.34 2.39 0.30 0.39 0.04 -1.26 -5.20 135.00 129.32 3huh s PRO 77 Ca 0.28 0.73 0.02 0.00 0.04 0.00 0.00 61.00 62.07 3huh s PRO 77 Cb -0.12 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 3huh s PRO 77 CO 0.21 -1.43 0.36 0.36 0.04 0.00 0.00 177.00 176.54 3huh n LYS 78 N -3.32 0.52 -1.25 4.56 2.85 -1.26 -5.15 118.16 115.11 3huh n LYS 78 Ca 0.07 -2.61 -0.35 0.00 -1.05 0.00 0.00 58.31 54.38 3huh n LYS 78 Cb 0.55 2.36 0.11 0.00 -0.65 0.00 0.00 35.03 37.40 3huh n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3huh n ALA 79 N -1.00 -0.06 0.12 0.58 0.00 -1.26 -4.89 120.51 113.99 3huh n ALA 79 Ca -0.11 -0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.10 3huh n ALA 79 Cb 0.52 -2.19 0.38 0.00 0.00 0.00 0.00 19.45 18.15 3huh n ALA 79 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3huh h SER 80 N -0.54 0.23 -2.25 0.00 0.02 -2.05 -3.33 113.55 105.64 3huh h SER 80 Ca -0.47 -0.05 -0.58 0.00 -0.84 0.00 0.00 61.79 59.85 3huh h SER 80 Cb 1.32 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.40 3huh h SER 80 CO 0.47 0.40 -0.92 0.54 -1.14 0.00 0.00 176.83 176.17 3huh n ARG 81 N -4.26 1.04 -1.68 3.45 1.74 -1.26 -5.09 116.66 110.59 3huh n ARG 81 Ca -0.01 -3.62 -0.47 0.00 -0.77 0.00 0.00 57.85 52.98 3huh n ARG 81 Cb 0.28 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 3huh n ARG 81 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3huh n PRO 82 N 1.74 2.21 -3.65 5.56 -0.02 -1.25 -4.96 135.00 134.63 3huh n PRO 82 Ca 0.25 0.81 -0.18 0.00 -2.02 0.00 0.00 63.50 62.36 3huh n PRO 82 Cb 0.47 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 3huh n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3huh s THR 83 N 3.28 -0.22 0.33 3.45 2.01 -1.26 -5.07 115.64 118.16 3huh s THR 83 Ca 0.89 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.91 3huh s THR 83 Cb -0.67 -0.30 -0.10 0.00 0.01 0.00 0.00 72.50 71.43 3huh s THR 83 CO 0.48 0.11 1.36 -2.84 -0.69 0.00 0.00 174.62 173.03 3huh s PRO 84 N 2.26 4.29 0.00 4.92 0.02 -1.24 -2.59 135.00 142.67 3huh s PRO 84 Ca 0.04 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3huh s PRO 84 Cb -0.13 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3huh s PRO 84 CO -0.06 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 3huh n GLY 85 N 0.95 0.52 0.58 0.52 0.00 -1.21 -4.93 105.19 101.62 3huh n GLY 85 Ca 0.01 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3huh n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3huh n SER 86 N 0.27 2.01 -4.84 1.61 3.41 -1.07 -4.28 113.62 110.73 3huh n SER 86 Ca 0.00 -1.53 -0.34 0.00 -0.26 0.00 0.00 58.87 56.74 3huh n SER 86 Cb 0.00 0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 3huh n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3huh s ALA 87 N -2.25 3.49 -0.30 7.33 0.00 -1.26 -5.00 121.76 123.76 3huh s ALA 87 Ca 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 3huh s ALA 87 Cb 0.19 -2.62 0.11 0.00 0.00 0.00 0.00 23.12 20.81 3huh s ALA 87 CO 0.44 0.41 0.16 0.34 0.00 0.00 0.00 175.76 177.11 3huh s ASP 88 N -1.94 3.27 0.06 0.00 -1.08 -1.26 -0.89 116.67 114.83 3huh s ASP 88 Ca 0.44 -1.46 0.09 0.00 -0.52 0.00 0.00 52.55 51.10 3huh s ASP 88 Cb -0.14 -0.30 -0.03 0.00 -1.46 0.00 0.00 42.92 41.00 3huh s ASP 88 CO 0.20 -0.41 -0.24 -0.76 0.52 0.00 0.00 175.17 174.48 3huh s LEU 89 N 1.88 2.21 -0.13 -1.34 1.43 -0.53 -5.00 118.68 117.19 3huh s LEU 89 Ca 0.11 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3huh s LEU 89 Cb -0.17 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.93 3huh s LEU 89 CO -0.28 0.19 -0.20 0.00 0.23 0.00 0.00 176.35 176.29 3huh s PHE 91 N 0.68 2.75 -0.05 0.00 0.08 0.86 -4.97 117.98 117.33 3huh s PHE 91 Ca -0.10 -0.31 -0.18 0.00 0.12 0.00 0.00 56.93 56.47 3huh s PHE 91 Cb -0.16 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 3huh s PHE 91 CO 0.01 0.06 0.48 0.42 -0.10 0.00 0.00 175.22 176.10 3huh s ILE 92 N -0.36 5.05 0.15 0.64 -1.09 -1.26 -0.59 121.20 123.74 3huh s ILE 92 Ca 0.04 0.99 0.09 0.00 -2.23 0.00 0.00 60.65 59.54 3huh s ILE 92 Cb -0.12 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 3huh s ILE 92 CO 0.02 0.44 -0.15 0.28 -1.23 0.00 0.00 174.94 174.30 3huh s THR 93 N -0.16 2.98 -2.34 2.92 -1.32 0.70 -4.91 115.64 113.50 3huh s THR 93 Ca 0.26 -1.58 0.21 0.00 -1.21 0.00 0.00 61.69 59.37 3huh s THR 93 Cb -0.16 -2.41 0.09 0.00 -1.51 0.00 0.00 72.50 68.50 3huh s THR 93 CO 0.13 0.01 1.11 -1.54 -2.21 0.00 0.00 174.62 172.12 3huh n SER 94 N 0.47 2.41 -4.77 8.08 3.41 -1.26 -4.49 113.62 117.47 3huh n SER 94 Ca -0.13 -1.70 -0.40 0.00 -0.26 0.00 0.00 58.87 56.38 3huh n SER 94 Cb 0.54 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 3huh n SER 94 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3huh s THR 95 N -2.04 4.39 0.08 6.66 2.01 -1.26 -4.97 115.64 120.52 3huh s THR 95 Ca 0.22 1.76 -0.36 0.00 0.31 0.00 0.00 61.69 63.62 3huh s THR 95 Cb 0.17 -4.17 -0.15 0.00 0.01 0.00 0.00 72.50 68.36 3huh s THR 95 CO 0.39 0.48 1.50 -2.65 -0.69 0.00 0.00 174.62 173.65 3huh n PRO 96 N 1.83 1.64 -0.19 4.92 -0.02 -1.26 -4.79 135.00 137.12 3huh n PRO 96 Ca -0.04 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.18 3huh n PRO 96 Cb 0.49 -2.30 0.48 0.00 -0.02 0.00 0.00 33.50 32.14 3huh n PRO 96 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3huh h ILE 97 N 3.70 0.79 -0.02 4.25 6.09 -1.94 0.36 117.51 130.73 3huh h ILE 97 Ca -0.46 -0.16 -0.11 0.00 -1.37 0.00 0.00 64.86 62.76 3huh h ILE 97 Cb 1.30 0.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.85 3huh h ILE 97 CO 0.85 0.09 -0.48 0.78 -3.07 0.00 0.00 178.15 176.31 3huh h ASN 98 N 0.47 0.06 0.07 2.19 2.35 -2.00 -0.60 115.58 118.13 3huh h ASN 98 Ca 0.40 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.97 3huh h ASN 98 Cb 0.86 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3huh h ASN 98 CO -0.14 0.54 -0.50 0.44 -1.65 0.00 0.00 177.43 176.12 3huh h ASP 99 N 0.05 0.52 -0.45 5.81 3.32 -1.31 -2.18 116.42 122.18 3huh h ASP 99 Ca -0.00 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 3huh h ASP 99 Cb 0.87 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3huh h ASP 99 CO 0.07 0.93 0.04 0.58 -1.72 0.00 0.00 179.24 179.14 3huh h VAL 100 N 0.38 1.25 -0.33 -1.35 2.07 -0.78 -0.15 116.25 117.33 3huh h VAL 100 Ca 0.02 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.64 3huh h VAL 100 Cb 1.01 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3huh h VAL 100 CO 0.09 0.33 0.01 0.58 0.02 0.00 0.00 177.57 178.61 3huh h VAL 101 N 0.61 0.77 -0.75 2.57 2.07 -0.93 -0.22 116.25 120.37 3huh h VAL 101 Ca 0.13 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3huh h VAL 101 Cb 0.43 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3huh h VAL 101 CO 0.01 0.02 0.47 -1.28 0.02 0.00 0.00 177.57 176.81 3huh h SER 102 N 0.11 0.88 -0.65 0.57 0.87 -1.10 -2.13 113.55 112.10 3huh h SER 102 Ca 0.16 -0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3huh h SER 102 Cb 0.21 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 3huh h SER 102 CO -0.26 0.67 0.42 -0.08 -0.53 0.00 0.00 176.83 177.05 3huh h GLU 103 N 1.02 0.82 -0.34 2.24 4.81 -0.19 -0.95 114.58 121.99 3huh h GLU 103 Ca 0.27 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3huh h GLU 103 Cb -0.06 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3huh h GLU 103 CO -0.05 0.54 0.15 0.82 -0.73 0.00 0.00 179.01 179.73 3huh h ILE 104 N 0.84 1.18 -0.64 2.32 2.04 -0.69 -2.09 117.51 120.46 3huh h ILE 104 Ca 0.25 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3huh h ILE 104 Cb -0.05 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3huh h ILE 104 CO -0.08 0.19 0.06 -0.07 0.00 0.00 0.00 178.15 178.26 3huh h LEU 105 N 0.41 1.06 -1.83 1.44 3.38 -1.14 -2.01 115.31 116.62 3huh h LEU 105 Ca 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3huh h LEU 105 Cb 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3huh h LEU 105 CO -0.01 1.07 -0.14 1.56 0.09 0.00 0.00 178.44 181.01 3huh h GLN 106 N 1.01 0.00 -0.06 1.13 4.20 -1.02 -0.73 115.11 119.63 3huh h GLN 106 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3huh h GLN 106 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3huh h GLN 106 CO 0.02 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.32 3huh n ALA 107 N -2.30 2.58 -1.57 3.87 0.00 -0.80 -4.90 120.51 117.40 3huh n ALA 107 Ca -0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 3huh n ALA 107 Cb 0.25 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3huh n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huh n GLY 108 N 1.02 0.65 3.78 0.00 0.00 -0.28 -5.01 105.19 105.35 3huh n GLY 108 Ca 0.17 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 3huh n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3huh s ILE 109 N -2.34 5.30 0.15 -0.61 1.01 -0.80 -5.04 121.20 118.87 3huh s ILE 109 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 3huh s ILE 109 Cb 0.00 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.82 3huh s ILE 109 CO 0.00 0.48 1.02 -0.44 0.00 0.00 0.00 174.94 176.00 3huh s SER 110 N -0.20 7.41 -0.37 3.58 0.01 -1.26 -4.32 113.70 118.55 3huh s SER 110 Ca 0.17 1.93 -0.22 0.00 1.31 0.00 0.00 55.95 59.14 3huh s SER 110 Cb -0.13 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.51 3huh s SER 110 CO 0.05 -0.12 0.71 -0.63 0.41 0.00 0.00 173.24 173.67 3huh s ILE 111 N -0.16 4.80 0.09 1.44 1.01 -1.26 -4.58 121.20 122.54 3huh s ILE 111 Ca 0.48 0.67 -0.19 0.00 0.00 0.00 0.00 60.65 61.61 3huh s ILE 111 Cb -0.26 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 3huh s ILE 111 CO 0.32 -0.42 1.60 0.58 0.00 0.00 0.00 174.94 177.02 3huh h VAL 112 N 5.75 1.20 -2.46 2.92 2.07 -1.02 -3.47 116.25 121.24 3huh h VAL 112 Ca -0.25 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3huh h VAL 112 Cb 1.10 1.17 -0.16 0.00 -1.52 0.00 0.00 31.29 31.89 3huh h VAL 112 CO 0.88 0.20 0.27 -0.70 0.02 0.00 0.00 177.57 178.25 3huh s GLU 113 N -5.37 1.09 0.00 1.57 2.12 -1.23 -5.00 118.70 111.87 3huh s GLU 113 Ca -0.14 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.03 3huh s GLU 113 Cb 0.08 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.97 3huh s GLU 113 CO 0.72 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 3huh n GLY 114 N 0.14 1.10 3.75 -1.50 0.00 -1.26 -1.12 105.19 106.30 3huh n GLY 114 Ca -0.16 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 3huh n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3huh s PRO 115 N -1.46 4.36 -0.01 1.61 0.04 -1.26 -4.95 135.00 133.34 3huh s PRO 115 Ca 0.00 2.14 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 3huh s PRO 115 Cb 0.00 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.39 3huh s PRO 115 CO 0.00 -0.27 0.09 0.08 0.04 0.00 0.00 177.00 176.94 3huh s VAL 116 N -0.20 0.06 0.20 -0.36 1.01 -0.28 -4.92 120.40 115.91 3huh s VAL 116 Ca 0.55 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3huh s VAL 116 Cb -0.38 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 3huh s VAL 116 CO 0.42 -0.26 1.28 -1.61 0.00 0.00 0.00 175.10 174.93 3huh s GLU 117 N -0.86 4.41 0.30 2.72 2.02 -1.26 -0.33 118.70 125.70 3huh s GLU 117 Ca -0.09 2.02 0.04 0.00 0.02 0.00 0.00 54.97 56.96 3huh s GLU 117 Cb -0.06 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 3huh s GLU 117 CO 0.00 -0.21 0.20 1.03 0.02 0.00 0.00 175.26 176.31 3huh s ARG 118 N -0.23 1.60 -0.31 1.61 1.81 0.42 -4.90 118.95 118.95 3huh s ARG 118 Ca 0.55 -1.91 -0.11 0.00 -1.72 0.00 0.00 55.73 52.54 3huh s ARG 118 Cb -0.36 0.14 -0.02 0.00 -0.45 0.00 0.00 34.95 34.26 3huh s ARG 118 CO 0.39 -0.53 0.18 0.95 -0.68 0.00 0.00 175.30 175.61 3huh s THR 119 N -3.64 4.96 0.77 0.02 -4.23 -1.26 -1.49 115.64 110.76 3huh s THR 119 Ca 0.38 -0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 60.64 3huh s THR 119 Cb 0.04 -3.48 0.12 0.00 1.34 0.00 0.00 72.50 70.53 3huh s THR 119 CO 0.21 0.11 1.07 -0.83 -0.54 0.00 0.00 174.62 174.64 3huh s GLY 120 N 1.68 1.75 0.35 3.99 0.00 0.45 -4.90 107.32 110.64 3huh s GLY 120 Ca 0.06 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.46 3huh s GLY 120 CO 0.08 -0.79 2.00 0.00 0.00 0.00 0.00 173.10 174.39 3huh h ALA 121 N -0.79 1.56 0.00 3.20 0.00 -1.98 -3.17 119.26 118.07 3huh h ALA 121 Ca -0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3huh h ALA 121 Cb 1.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3huh h ALA 121 CO 0.46 0.39 -0.15 0.25 0.00 0.00 0.00 179.25 180.21 3huh n THR 122 N -4.44 1.71 -1.94 0.00 -2.24 -1.26 -5.10 114.28 101.01 3huh n THR 122 Ca 0.08 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 3huh n THR 122 Cb 0.07 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3huh n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huh n GLY 123 N -1.21 -1.00 3.77 3.38 0.00 -1.20 -5.12 105.19 103.81 3huh n GLY 123 Ca 0.15 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 3huh n GLY 123 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3huh s GLU 124 N -1.91 4.60 0.11 1.61 2.12 -1.26 0.17 118.70 124.14 3huh s GLU 124 Ca 0.00 1.49 0.03 0.00 0.36 0.00 0.00 54.97 56.85 3huh s GLU 124 Cb 0.00 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 3huh s GLU 124 CO 0.00 0.27 -0.08 0.96 -0.54 0.00 0.00 175.26 175.87 3huh s ILE 125 N -1.42 0.83 -0.22 -3.70 -4.36 -0.56 -4.58 121.20 107.20 3huh s ILE 125 Ca 0.48 -1.86 -0.06 0.00 -0.26 0.00 0.00 60.65 58.94 3huh s ILE 125 Cb -0.24 -1.60 -0.03 0.00 1.25 0.00 0.00 42.46 41.85 3huh s ILE 125 CO 0.30 -0.76 0.04 -0.32 0.24 0.00 0.00 174.94 174.44 3huh s MET 126 N -3.49 3.66 0.08 0.37 -2.45 -0.38 -0.43 119.30 116.66 3huh s MET 126 Ca 0.10 -0.48 0.08 0.00 -1.25 0.00 0.00 55.69 54.14 3huh s MET 126 Cb 0.02 -3.22 -0.04 0.00 1.25 0.00 0.00 34.83 32.85 3huh s MET 126 CO -0.02 -0.08 -0.19 -1.12 1.05 0.00 0.00 175.02 174.66 3huh s SER 127 N 1.28 3.77 -0.03 1.11 0.01 0.55 -2.02 113.70 118.37 3huh s SER 127 Ca 0.04 -0.51 0.05 0.00 1.31 0.00 0.00 55.95 56.84 3huh s SER 127 Cb -0.15 -0.54 -0.01 0.00 0.21 0.00 0.00 66.02 65.54 3huh s SER 127 CO 0.02 0.22 -0.18 -0.51 0.41 0.00 0.00 173.24 173.21 3huh s ILE 128 N -1.02 1.43 -0.07 1.44 1.10 -0.38 -1.12 121.20 122.58 3huh s ILE 128 Ca 0.16 -0.74 0.03 0.00 -0.51 0.00 0.00 60.65 59.59 3huh s ILE 128 Cb -0.10 -1.22 -0.02 0.00 0.15 0.00 0.00 42.46 41.27 3huh s ILE 128 CO 0.07 0.41 -0.16 -0.31 -2.11 0.00 0.00 174.94 172.84 3huh s TYR 129 N -0.12 2.68 0.30 3.50 2.02 -0.27 -0.61 117.35 124.83 3huh s TYR 129 Ca -0.00 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 3huh s TYR 129 Cb -0.10 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3huh s TYR 129 CO 0.01 -0.02 0.24 0.96 -1.57 0.00 0.00 175.55 175.17 3huh s ILE 130 N -0.29 0.03 0.05 2.71 -4.36 -0.25 -0.31 121.20 118.79 3huh s ILE 130 Ca 0.02 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.47 3huh s ILE 130 Cb -0.13 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 3huh s ILE 130 CO 0.03 0.00 -0.19 -0.13 0.24 0.00 0.00 174.94 174.89 3huh s ARG 131 N -3.63 1.21 0.85 0.37 0.52 -1.26 -0.60 118.95 116.41 3huh s ARG 131 Ca 0.40 -0.92 -0.08 0.00 -0.52 0.00 0.00 55.73 54.61 3huh s ARG 131 Cb 0.04 -1.31 0.18 0.00 0.52 0.00 0.00 34.95 34.37 3huh s ARG 131 CO 0.23 0.33 1.16 0.16 0.02 0.00 0.00 175.30 177.21 3huh s ASP 132 N -1.29 3.63 0.57 0.23 -4.77 -0.81 -4.89 116.67 109.35 3huh s ASP 132 Ca 0.05 -0.18 0.29 0.00 -3.30 0.00 0.00 52.55 49.41 3huh s ASP 132 Cb -0.09 0.03 1.47 0.00 -1.09 0.00 0.00 42.92 43.24 3huh s ASP 132 CO 0.02 -2.36 1.92 -0.65 0.70 0.00 0.00 175.17 174.80 3huh h PRO 133 N -1.10 0.00 -0.02 2.11 0.11 -1.91 -1.32 132.00 129.87 3huh h PRO 133 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3huh h PRO 133 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3huh h PRO 133 CO 0.36 0.00 -0.18 -0.25 -0.21 0.00 0.00 178.00 177.71 3huh n ASP 134 N -3.91 2.20 0.00 -2.05 8.00 -1.26 -4.95 116.55 114.57 3huh n ASP 134 Ca 0.10 -1.62 0.00 0.00 0.71 0.00 0.00 54.79 53.98 3huh n ASP 134 Cb 0.70 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 3huh n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3huh n GLY 135 N 1.34 0.61 3.77 0.44 0.00 -0.50 -3.29 105.19 107.56 3huh n GLY 135 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3huh n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3huh s ASN 136 N -2.83 5.97 -0.16 1.61 0.02 -1.26 -4.74 114.94 113.55 3huh s ASN 136 Ca 0.00 2.81 -0.22 0.00 -1.02 0.00 0.00 52.86 54.43 3huh s ASN 136 Cb 0.00 -2.65 -0.03 0.00 0.02 0.00 0.00 41.25 38.60 3huh s ASN 136 CO 0.00 -1.10 0.67 -0.22 0.02 0.00 0.00 177.10 176.47 3huh s LEU 137 N -2.70 4.19 -0.22 0.60 2.96 -0.07 -1.92 118.68 121.53 3huh s LEU 137 Ca 0.61 0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 55.47 3huh s LEU 137 Cb -0.41 -2.98 0.02 0.00 0.50 0.00 0.00 46.19 43.31 3huh s LEU 137 CO 0.53 -0.25 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.57 3huh s ILE 138 N 1.67 2.67 -0.31 6.68 -1.09 0.23 -1.45 121.20 129.60 3huh s ILE 138 Ca 0.32 -0.90 -0.10 0.00 -2.23 0.00 0.00 60.65 57.74 3huh s ILE 138 Cb -0.16 -2.26 -0.01 0.00 -1.58 0.00 0.00 42.46 38.44 3huh s ILE 138 CO 0.12 0.36 0.16 -0.70 -1.23 0.00 0.00 174.94 173.65 3huh s GLU 139 N 1.34 3.44 -0.23 2.79 2.12 0.67 -1.08 118.70 127.74 3huh s GLU 139 Ca 0.03 -0.65 -0.07 0.00 0.36 0.00 0.00 54.97 54.63 3huh s GLU 139 Cb -0.15 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 3huh s GLU 139 CO -0.07 -0.38 0.07 0.42 -0.54 0.00 0.00 175.26 174.76 3huh s ILE 140 N 1.64 4.46 0.07 -3.70 1.01 0.21 -0.10 121.20 124.79 3huh s ILE 140 Ca 0.05 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3huh s ILE 140 Cb -0.17 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3huh s ILE 140 CO 0.07 0.36 -0.09 -0.44 0.00 0.00 0.00 174.94 174.85 3huh s SER 141 N 1.33 1.15 -0.05 3.58 0.01 0.25 -1.25 113.70 118.71 3huh s SER 141 Ca 0.05 -0.75 0.05 0.00 1.31 0.00 0.00 55.95 56.61 3huh s SER 141 Cb -0.15 0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 3huh s SER 141 CO 0.04 -0.28 -0.20 -1.58 0.41 0.00 0.00 173.24 171.63 3huh s GLN 142 N -2.52 2.11 0.00 12.44 0.74 -0.85 -0.22 119.66 131.36 3huh s GLN 142 Ca 0.00 -0.70 0.17 0.00 0.05 0.00 0.00 55.36 54.89 3huh s GLN 142 Cb -0.04 -1.78 1.04 0.00 1.10 0.00 0.00 33.01 33.33 3huh s GLN 142 CO -0.01 0.26 1.44 0.66 -0.55 0.00 0.00 175.29 177.09