#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 5.27 -0.15 1.39 -1.09 -1.26 -4.99 121.20 120.36 3huh s ILE 21 Ca 0.00 0.54 -0.03 0.00 -2.23 0.00 0.00 60.65 58.93 3huh s ILE 21 Cb 0.00 -3.65 -0.24 0.00 -1.58 0.00 0.00 42.46 37.00 3huh s ILE 21 CO 0.00 0.32 0.22 -0.67 -1.23 0.00 0.00 174.94 173.58 3huh n ASP 22 N 4.14 1.99 -3.64 3.58 2.03 -1.26 -5.07 116.55 118.32 3huh n ASP 22 Ca -0.11 0.12 -0.00 0.00 0.52 0.00 0.00 54.79 55.32 3huh n ASP 22 Cb 0.52 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 -2.55 0.73 0.01 -0.67 1.70 -1.26 -5.13 118.95 111.78 3huh s ARG 23 Ca -0.25 -0.44 -0.21 0.00 -0.47 0.00 0.00 55.73 54.37 3huh s ARG 23 Cb 0.07 0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.63 3huh s ARG 23 CO 0.73 -0.34 0.61 0.42 -1.08 0.00 0.00 175.30 175.64 3huh s ILE 24 N -2.46 4.87 -0.23 4.99 1.01 -1.26 -4.97 121.20 123.14 3huh s ILE 24 Ca 0.18 1.28 -0.11 0.00 0.00 0.00 0.00 60.65 62.00 3huh s ILE 24 Cb 0.01 -3.95 -0.17 0.00 0.01 0.00 0.00 42.46 38.37 3huh s ILE 24 CO -0.00 0.43 -0.08 -0.67 0.00 0.00 0.00 174.94 174.61 3huh n ASP 25 N 2.60 1.96 -3.14 3.58 2.03 -1.26 -4.94 116.55 117.39 3huh n ASP 25 Ca -0.07 0.24 -0.07 0.00 0.52 0.00 0.00 54.79 55.41 3huh n ASP 25 Cb 0.51 -0.77 0.02 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 -2.48 0.08 0.19 -0.67 -3.43 -1.26 -2.53 115.29 105.18 3huh s HIS 26 Ca -0.33 -0.65 -0.18 0.00 -0.80 0.00 0.00 55.06 53.10 3huh s HIS 26 Cb 0.10 0.79 0.03 0.00 -1.43 0.00 0.00 32.58 32.07 3huh s HIS 26 CO 0.58 -1.35 0.52 -0.48 -2.00 0.00 0.00 174.74 172.01 3huh s LEU 27 N -3.14 0.07 -0.14 5.38 0.05 -1.19 -5.01 118.68 114.69 3huh s LEU 27 Ca 0.17 -0.46 -0.01 0.00 0.05 0.00 0.00 54.13 53.88 3huh s LEU 27 Cb -0.04 2.14 -0.02 0.00 -2.05 0.00 0.00 46.19 46.22 3huh s LEU 27 CO 0.09 -1.04 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.05 3huh s VAL 28 N -3.87 3.24 -0.15 1.48 1.01 -1.26 -0.81 120.40 120.03 3huh s VAL 28 Ca 0.09 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 3huh s VAL 28 Cb -0.01 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3huh s VAL 28 CO -0.03 0.52 0.01 -0.76 0.00 0.00 0.00 175.10 174.83 3huh s LEU 29 N 0.38 3.54 -0.30 3.92 1.43 -0.18 -4.97 118.68 122.49 3huh s LEU 29 Ca -0.09 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3huh s LEU 29 Cb -0.15 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3huh s LEU 29 CO 0.05 0.21 0.24 -0.89 0.23 0.00 0.00 176.35 176.19 3huh s THR 30 N 0.14 5.28 0.28 5.49 2.01 -1.26 -1.23 115.64 126.35 3huh s THR 30 Ca 0.02 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.17 3huh s THR 30 Cb -0.13 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 3huh s THR 30 CO 0.02 0.12 -0.13 0.68 -0.69 0.00 0.00 174.62 174.62 3huh s VAL 31 N 1.80 2.04 0.10 3.82 -7.23 0.43 -3.56 120.40 117.79 3huh s VAL 31 Ca 0.08 -2.25 -0.14 0.00 -1.81 0.00 0.00 61.98 57.87 3huh s VAL 31 Cb -0.16 -2.35 -0.14 0.00 0.56 0.00 0.00 36.38 34.28 3huh s VAL 31 CO 0.11 -0.38 1.32 -1.28 -0.31 0.00 0.00 175.10 174.56 3huh h SER 32 N 2.29 0.89 -2.55 4.85 0.87 -1.96 -3.38 113.55 114.56 3huh h SER 32 Ca -0.40 -0.60 -0.31 0.00 -1.23 0.00 0.00 61.79 59.25 3huh h SER 32 Cb 1.24 -0.26 -0.36 0.00 -0.44 0.00 0.00 62.40 62.59 3huh h SER 32 CO 0.64 1.34 -0.62 -0.62 -0.53 0.00 0.00 176.83 177.04 3huh s ASP 33 N -6.96 1.29 0.19 6.23 2.15 -1.26 -5.00 116.67 113.30 3huh s ASP 33 Ca -0.11 -0.16 -0.13 0.00 0.43 0.00 0.00 52.55 52.58 3huh s ASP 33 Cb 0.08 0.40 0.20 0.00 -0.30 0.00 0.00 42.92 43.31 3huh s ASP 33 CO 0.88 -0.32 1.69 0.40 -0.17 0.00 0.00 175.17 177.66 3huh h ILE 34 N 6.31 0.63 -0.51 4.11 1.08 -1.94 -1.68 117.51 125.50 3huh h ILE 34 Ca -0.17 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.30 3huh h ILE 34 Cb 1.15 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 3huh h ILE 34 CO 0.27 0.03 0.25 0.28 -0.69 0.00 0.00 178.15 178.29 3huh h SER 35 N 0.15 0.36 -0.65 1.72 0.02 -1.99 0.21 113.55 113.36 3huh h SER 35 Ca 0.26 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.18 3huh h SER 35 Cb 0.39 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3huh h SER 35 CO -0.40 0.25 0.19 0.74 -1.14 0.00 0.00 176.83 176.46 3huh h THR 36 N 0.49 1.25 -0.29 -2.27 2.02 -1.88 -1.87 112.91 110.37 3huh h THR 36 Ca 0.23 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 3huh h THR 36 Cb 0.15 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3huh h THR 36 CO -0.17 0.35 -0.02 0.74 0.37 0.00 0.00 175.52 176.79 3huh h THR 37 N 1.01 1.26 -0.58 3.16 2.02 -0.63 -2.59 112.91 116.57 3huh h THR 37 Ca 0.22 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3huh h THR 37 Cb 0.32 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 3huh h THR 37 CO -0.00 0.31 0.33 0.40 0.37 0.00 0.00 175.52 176.93 3huh h ILE 38 N 0.30 1.18 -0.79 3.11 2.04 -0.39 -1.92 117.51 121.04 3huh h ILE 38 Ca 0.08 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.51 3huh h ILE 38 Cb 0.47 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3huh h ILE 38 CO 0.02 0.19 0.52 0.03 0.00 0.00 0.00 178.15 178.91 3huh h ARG 39 N 0.78 1.01 0.31 2.37 3.08 -1.30 0.83 114.38 121.46 3huh h ARG 39 Ca 0.20 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3huh h ARG 39 Cb 0.02 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3huh h ARG 39 CO -0.04 0.67 -0.15 0.35 -1.07 0.00 0.00 179.97 179.73 3huh h PHE 40 N 1.04 -0.39 -0.04 3.04 3.57 -1.09 0.11 116.94 123.18 3huh h PHE 40 Ca 0.30 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 3huh h PHE 40 Cb -0.07 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3huh h PHE 40 CO -0.02 -0.17 -0.33 1.88 -2.23 0.00 0.00 178.31 177.43 3huh h TYR 41 N -0.52 0.08 0.06 0.41 -1.99 -1.16 -0.14 116.97 113.71 3huh h TYR 41 Ca -0.04 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 3huh h TYR 41 Cb 0.39 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.10 3huh h TYR 41 CO -0.03 0.40 -0.03 0.93 -0.00 0.00 0.00 178.16 179.43 3huh h GLU 42 N 0.06 -0.07 -0.21 4.88 5.08 -0.76 -0.44 114.58 123.12 3huh h GLU 42 Ca 0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3huh h GLU 42 Cb 0.62 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3huh h GLU 42 CO 0.05 0.52 -0.32 0.93 -1.00 0.00 0.00 179.01 179.18 3huh h GLU 43 N -0.90 0.42 0.00 2.33 5.08 -0.99 -2.37 114.58 118.15 3huh h GLU 43 Ca -0.01 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3huh h GLU 43 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3huh h GLU 43 CO 0.01 0.69 -0.76 0.28 -1.00 0.00 0.00 179.01 178.23 3huh n VAL 44 N -4.08 1.44 0.96 3.13 0.31 -0.07 -4.60 118.33 115.42 3huh n VAL 44 Ca -0.01 0.18 0.14 0.00 -0.01 0.00 0.00 64.34 64.64 3huh n VAL 44 Cb 0.44 -2.36 0.53 0.00 -0.91 0.00 0.00 33.84 31.54 3huh n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3huh n LEU 45 N -4.50 0.17 -0.15 7.52 4.77 -1.00 -4.93 117.00 118.88 3huh n LEU 45 Ca -0.11 0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 56.27 3huh n LEU 45 Cb 0.40 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3huh n LEU 45 CO 0.16 0.01 -0.02 0.61 -1.33 0.00 0.00 177.39 176.82 3huh n GLY 46 N 1.48 0.54 3.77 -0.72 0.00 -0.47 -4.98 105.19 104.81 3huh n GLY 46 Ca 0.07 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.03 2.62 -0.13 1.61 0.08 -0.30 -4.93 117.98 114.89 3huh s PHE 47 Ca 0.00 1.29 0.03 0.00 0.12 0.00 0.00 56.93 58.37 3huh s PHE 47 Cb 0.00 -3.10 0.01 0.00 -0.57 0.00 0.00 43.02 39.36 3huh s PHE 47 CO 0.00 -1.96 -0.22 -1.54 -0.10 0.00 0.00 175.22 171.40 3huh s SER 48 N -3.61 3.11 0.28 1.36 1.04 -0.77 -4.12 113.70 110.99 3huh s SER 48 Ca 0.62 -0.60 -0.25 0.00 0.48 0.00 0.00 55.95 56.20 3huh s SER 48 Cb -0.16 -1.44 -0.09 0.00 0.10 0.00 0.00 66.02 64.43 3huh s SER 48 CO 0.56 0.10 0.88 0.00 0.98 0.00 0.00 173.24 175.76 3huh s ALA 49 N 0.71 3.28 0.06 5.32 0.00 -1.26 -0.57 121.76 129.31 3huh s ALA 49 Ca -0.10 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 3huh s ALA 49 Cb -0.16 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3huh s ALA 49 CO 0.00 0.22 -0.02 0.14 0.00 0.00 0.00 175.76 176.11 3huh s VAL 50 N -1.53 0.22 0.04 0.00 -7.23 -0.05 -4.95 120.40 106.88 3huh s VAL 50 Ca 0.47 -1.83 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 3huh s VAL 50 Cb -0.19 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 3huh s VAL 50 CO 0.24 -0.91 -0.25 -0.89 -0.31 0.00 0.00 175.10 172.98 3huh s THR 51 N -3.93 2.05 -0.20 5.32 2.01 -1.26 -1.71 115.64 117.92 3huh s THR 51 Ca 0.10 -1.33 -0.20 0.00 0.31 0.00 0.00 61.69 60.57 3huh s THR 51 Cb 0.08 -1.75 0.06 0.00 0.01 0.00 0.00 72.50 70.89 3huh s THR 51 CO -0.08 0.37 0.57 0.72 -0.69 0.00 0.00 174.62 175.51 3huh s PHE 52 N -0.78 -0.62 0.00 4.92 -0.12 -0.03 -4.95 117.98 116.40 3huh s PHE 52 Ca 0.11 1.49 0.00 0.00 -0.05 0.00 0.00 56.93 58.48 3huh s PHE 52 Cb -0.10 0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.51 3huh s PHE 52 CO 0.02 -0.32 0.00 1.63 -0.05 0.00 0.00 175.22 176.50 3huh n LYS 53 N 2.66 0.00 -0.76 1.99 5.02 -1.26 -1.82 118.16 123.99 3huh n LYS 53 Ca -0.14 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 3huh n LYS 53 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.52 3huh n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3huh n GLN 54 N 14.00 1.16 -2.87 1.97 0.00 -1.26 -4.25 117.38 126.13 3huh n GLN 54 Ca 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 57.00 55.46 3huh n GLN 54 Cb 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 30.24 27.64 3huh n GLN 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3huh n ASN 55 N 6.57 -3.07 -4.76 2.61 4.05 -1.25 -4.89 115.26 114.51 3huh n ASN 55 Ca 0.41 -0.00 -0.39 0.00 0.45 0.00 0.00 54.58 55.05 3huh n ASN 55 Cb 0.28 -2.62 -0.05 0.00 1.23 0.00 0.00 39.78 38.62 3huh n ASN 55 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3huh s ARG 56 N -5.46 4.61 0.02 1.20 1.81 -0.75 -4.85 118.95 115.52 3huh s ARG 56 Ca 0.18 1.60 0.05 0.00 -1.72 0.00 0.00 55.73 55.84 3huh s ARG 56 Cb -0.09 -3.05 -0.03 0.00 -0.45 0.00 0.00 34.95 31.33 3huh s ARG 56 CO 0.22 0.24 -0.14 0.15 -0.68 0.00 0.00 175.30 175.10 3huh s LYS 57 N -1.64 2.30 0.12 3.54 -0.14 -1.26 -0.85 119.74 121.81 3huh s LYS 57 Ca 0.47 -0.85 -0.11 0.00 -1.36 0.00 0.00 55.97 54.11 3huh s LYS 57 Cb -0.27 -2.32 0.01 0.00 -1.68 0.00 0.00 37.83 33.57 3huh s LYS 57 CO 0.34 0.57 0.29 0.00 -0.76 0.00 0.00 175.35 175.79 3huh s ALA 58 N -0.92 -0.41 -0.14 5.17 0.00 -0.70 -1.66 121.76 123.10 3huh s ALA 58 Ca 0.15 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3huh s ALA 58 Cb -0.11 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.67 3huh s ALA 58 CO 0.05 -0.60 -0.19 -0.51 0.00 0.00 0.00 175.76 174.51 3huh s LEU 59 N -2.87 2.27 0.09 0.00 1.43 0.12 -0.87 118.68 118.85 3huh s LEU 59 Ca 0.08 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3huh s LEU 59 Cb 0.03 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3huh s LEU 59 CO -0.08 0.10 -0.01 -0.63 0.23 0.00 0.00 176.35 175.95 3huh s ILE 60 N 0.72 3.93 -0.25 -0.59 1.01 0.27 -0.28 121.20 126.01 3huh s ILE 60 Ca -0.08 -1.01 -0.26 0.00 0.00 0.00 0.00 60.65 59.29 3huh s ILE 60 Cb -0.16 -2.87 0.10 0.00 0.01 0.00 0.00 42.46 39.55 3huh s ILE 60 CO 0.01 0.13 0.91 0.72 0.00 0.00 0.00 174.94 176.70 3huh s PHE 61 N -1.29 -0.57 0.00 3.97 -0.12 -1.05 -1.85 117.98 117.06 3huh s PHE 61 Ca 0.25 1.33 0.00 0.00 -0.05 0.00 0.00 56.93 58.46 3huh s PHE 61 Cb -0.12 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 3huh s PHE 61 CO 0.17 -0.32 0.00 0.41 -0.05 0.00 0.00 175.22 175.44 3huh n GLY 62 N 2.09 3.13 1.20 1.99 0.00 -1.26 -1.32 105.19 111.02 3huh n GLY 62 Ca -0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 9.80 4.38 -2.40 4.61 0.00 -1.26 -5.01 120.51 130.62 3huh n ALA 63 Ca 0.00 -3.21 -0.23 0.00 0.00 0.00 0.00 53.44 50.00 3huh n ALA 63 Cb 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 3huh n ALA 63 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3huh s GLN 64 N -3.29 1.87 0.18 0.00 -0.21 -0.43 -4.97 119.66 112.81 3huh s GLN 64 Ca 0.45 -2.12 -0.23 0.00 0.02 0.00 0.00 55.36 53.48 3huh s GLN 64 Cb 0.41 -0.12 0.06 0.00 1.00 0.00 0.00 33.01 34.36 3huh s GLN 64 CO -0.01 -0.59 0.66 -1.59 -2.12 0.00 0.00 175.29 171.64 3huh s LYS 65 N -3.55 1.39 -0.19 2.91 -2.85 -1.05 -2.54 119.74 113.85 3huh s LYS 65 Ca 0.32 -0.60 0.01 0.00 -1.00 0.00 0.00 55.97 54.70 3huh s LYS 65 Cb 0.02 0.58 0.03 0.00 -2.06 0.00 0.00 37.83 36.40 3huh s LYS 65 CO 0.21 -0.62 -0.15 0.42 0.10 0.00 0.00 175.35 175.32 3huh s ILE 66 N -3.75 1.87 0.23 3.79 -1.09 0.61 -3.19 121.20 119.67 3huh s ILE 66 Ca 0.04 -1.01 -0.23 0.00 -2.23 0.00 0.00 60.65 57.22 3huh s ILE 66 Cb -0.02 -1.81 -0.09 0.00 -1.58 0.00 0.00 42.46 38.96 3huh s ILE 66 CO -0.07 0.33 0.79 0.20 -1.23 0.00 0.00 174.94 174.96 3huh s ASN 67 N 1.33 7.22 -0.11 3.58 0.01 0.01 -0.70 114.94 126.27 3huh s ASN 67 Ca 0.01 1.58 0.00 0.00 -0.71 0.00 0.00 52.86 53.74 3huh s ASN 67 Cb -0.15 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 3huh s ASN 67 CO -0.10 0.07 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.68 3huh s LEU 68 N -1.74 2.82 -0.13 0.60 1.43 -0.66 -1.01 118.68 119.99 3huh s LEU 68 Ca 0.42 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3huh s LEU 68 Cb -0.19 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3huh s LEU 68 CO 0.23 0.22 -0.18 -1.00 0.23 0.00 0.00 176.35 175.85 3huh s HIS 69 N 0.04 2.32 -1.86 0.29 3.76 -0.36 -4.50 115.29 114.97 3huh s HIS 69 Ca -0.04 -1.20 0.26 0.00 -0.15 0.00 0.00 55.06 53.93 3huh s HIS 69 Cb -0.14 -1.64 0.71 0.00 1.11 0.00 0.00 32.58 32.62 3huh s HIS 69 CO 0.04 -0.60 1.54 0.94 -0.85 0.00 0.00 174.74 175.81 3huh n GLN 70 N 4.33 0.96 -3.80 1.40 7.27 -1.26 -0.43 117.38 125.86 3huh n GLN 70 Ca -0.19 -0.59 -0.13 0.00 0.07 0.00 0.00 57.00 56.16 3huh n GLN 70 Cb 0.51 -1.49 -0.13 0.00 2.41 0.00 0.00 30.24 31.54 3huh n GLN 70 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3huh s GLU 76 N -2.45 0.18 0.82 3.69 2.12 -1.26 -4.81 118.70 116.99 3huh s GLU 76 Ca 0.25 0.27 -0.11 0.00 0.36 0.00 0.00 54.97 55.73 3huh s GLU 76 Cb 0.19 0.04 0.08 0.00 0.26 0.00 0.00 34.13 34.71 3huh s GLU 76 CO 0.51 -0.05 1.09 -1.25 -0.54 0.00 0.00 175.26 175.02 3huh s PRO 77 N 0.30 1.91 0.37 4.30 0.04 -1.26 -5.21 135.00 135.46 3huh s PRO 77 Ca -0.02 0.76 -0.06 0.00 0.04 0.00 0.00 61.00 61.72 3huh s PRO 77 Cb -0.03 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.64 3huh s PRO 77 CO -0.01 -1.77 0.59 0.36 0.04 0.00 0.00 177.00 176.20 3huh n LYS 78 N -3.55 0.84 -1.67 4.56 2.85 -1.26 -5.15 118.16 114.78 3huh n LYS 78 Ca 0.07 -2.66 -0.37 0.00 -1.05 0.00 0.00 58.31 54.30 3huh n LYS 78 Cb 0.55 2.76 0.07 0.00 -0.65 0.00 0.00 35.03 37.76 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 -0.63 0.76 0.24 0.58 0.00 -1.26 -4.88 120.51 115.33 3huh n ALA 79 Ca -0.15 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.35 3huh n ALA 79 Cb 0.60 -2.25 0.56 0.00 0.00 0.00 0.00 19.45 18.36 3huh n ALA 79 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3huh h SER 80 N 0.45 0.00 -2.29 0.00 4.64 -2.07 -3.30 113.55 110.99 3huh h SER 80 Ca -0.50 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.24 3huh h SER 80 Cb 1.35 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.04 3huh h SER 80 CO 0.52 0.12 -0.91 0.54 -0.87 0.00 0.00 176.83 176.23 3huh n ARG 81 N -4.35 0.99 -1.67 4.77 1.74 -1.26 -5.09 116.66 111.78 3huh n ARG 81 Ca -0.03 -3.61 -0.45 0.00 -0.77 0.00 0.00 57.85 53.00 3huh n ARG 81 Cb 0.20 -1.67 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 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 1.84 2.59 -3.67 5.56 -0.02 -1.25 -4.95 135.00 135.11 3huh n PRO 82 Ca 0.25 0.95 -0.21 0.00 -2.02 0.00 0.00 63.50 62.47 3huh n PRO 82 Cb 0.47 -2.85 -0.18 0.00 -0.02 0.00 0.00 33.50 30.92 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 4.07 -0.08 0.32 3.45 2.01 -1.26 -5.07 115.64 119.07 3huh s THR 83 Ca 0.89 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.92 3huh s THR 83 Cb -0.54 -0.24 -0.10 0.00 0.01 0.00 0.00 72.50 71.62 3huh s THR 83 CO 0.45 0.11 1.37 -2.84 -0.69 0.00 0.00 174.62 173.02 3huh s PRO 84 N 2.15 4.29 0.00 4.92 0.02 -1.23 -2.67 135.00 142.48 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 31.33 3huh s PRO 84 CO -0.04 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 3huh n GLY 85 N 1.13 0.49 0.92 0.52 0.00 -1.22 -4.92 105.19 102.11 3huh n GLY 85 Ca 0.02 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.43 2.83 -4.86 1.61 3.41 -1.09 -4.26 113.62 111.69 3huh n SER 86 Ca 0.00 -1.90 -0.34 0.00 -0.26 0.00 0.00 58.87 56.36 3huh n SER 86 Cb 0.00 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.80 3.62 -0.32 7.33 0.00 -1.26 -5.01 121.76 124.32 3huh s ALA 87 Ca 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 3huh s ALA 87 Cb 0.21 -2.43 0.11 0.00 0.00 0.00 0.00 23.12 21.02 3huh s ALA 87 CO 0.31 0.50 0.16 0.34 0.00 0.00 0.00 175.76 177.07 3huh s ASP 88 N -1.93 3.37 0.13 0.00 -1.08 -1.26 -0.95 116.67 114.94 3huh s ASP 88 Ca 0.39 -1.64 0.10 0.00 -0.52 0.00 0.00 52.55 50.88 3huh s ASP 88 Cb -0.14 -0.40 -0.04 0.00 -1.46 0.00 0.00 42.92 40.88 3huh s ASP 88 CO 0.20 -0.39 -0.26 -0.76 0.52 0.00 0.00 175.17 174.48 3huh s LEU 89 N 1.68 2.32 -0.10 -1.34 1.43 -0.29 -5.00 118.68 117.39 3huh s LEU 89 Ca 0.12 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3huh s LEU 89 Cb -0.19 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.90 3huh s LEU 89 CO -0.22 0.15 -0.16 0.00 0.23 0.00 0.00 176.35 176.35 3huh s PHE 91 N 0.87 2.64 -0.11 0.00 0.08 0.47 -4.97 117.98 116.95 3huh s PHE 91 Ca -0.09 -0.20 -0.14 0.00 0.12 0.00 0.00 56.93 56.61 3huh s PHE 91 Cb -0.15 -1.55 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 3huh s PHE 91 CO 0.00 0.21 0.34 0.42 -0.10 0.00 0.00 175.22 176.10 3huh s ILE 92 N -0.83 5.23 0.15 0.64 -1.09 -1.26 -0.86 121.20 123.18 3huh s ILE 92 Ca 0.13 0.66 0.10 0.00 -2.23 0.00 0.00 60.65 59.31 3huh s ILE 92 Cb -0.11 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3huh s ILE 92 CO 0.03 0.45 -0.19 0.28 -1.23 0.00 0.00 174.94 174.28 3huh s THR 93 N -0.04 2.71 -1.82 2.92 -1.32 0.25 -4.92 115.64 113.42 3huh s THR 93 Ca 0.20 -1.70 0.22 0.00 -1.21 0.00 0.00 61.69 59.20 3huh s THR 93 Cb -0.14 -2.27 -0.05 0.00 -1.51 0.00 0.00 72.50 68.53 3huh s THR 93 CO 0.07 0.01 1.04 -1.54 -2.21 0.00 0.00 174.62 171.99 3huh n SER 94 N 0.54 1.83 -4.74 8.08 3.41 -1.26 -4.49 113.62 116.97 3huh n SER 94 Ca -0.14 -1.41 -0.41 0.00 -0.26 0.00 0.00 58.87 56.65 3huh n SER 94 Cb 0.54 0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 65.01 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 -2.53 3.94 -0.08 6.66 2.01 -1.26 -4.93 115.64 119.44 3huh s THR 95 Ca 0.16 1.80 -0.37 0.00 0.31 0.00 0.00 61.69 63.59 3huh s THR 95 Cb 0.17 -4.15 -0.15 0.00 0.01 0.00 0.00 72.50 68.39 3huh s THR 95 CO 0.61 0.37 1.67 -2.65 -0.69 0.00 0.00 174.62 173.93 3huh n PRO 96 N 1.90 1.57 -0.29 4.92 -0.02 -1.26 -4.79 135.00 137.03 3huh n PRO 96 Ca 0.00 0.57 0.22 0.00 -2.02 0.00 0.00 63.50 62.27 3huh n PRO 96 Cb 0.47 -2.30 0.53 0.00 -0.02 0.00 0.00 33.50 32.17 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 4.62 0.59 0.00 4.25 6.09 -1.93 0.14 117.51 131.27 3huh h ILE 97 Ca -0.47 -0.13 -0.11 0.00 -1.37 0.00 0.00 64.86 62.78 3huh h ILE 97 Cb 1.30 0.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.76 3huh h ILE 97 CO 0.91 0.07 -0.54 0.78 -3.07 0.00 0.00 178.15 176.29 3huh h ASN 98 N 0.37 0.00 0.01 2.19 2.35 -2.00 -1.42 115.58 117.08 3huh h ASN 98 Ca 0.53 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.14 3huh h ASN 98 Cb 1.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 3huh h ASN 98 CO -0.22 0.54 -0.48 0.44 -1.65 0.00 0.00 177.43 176.07 3huh h ASP 99 N 0.00 0.59 -0.47 5.81 3.32 -1.09 -2.60 116.42 121.98 3huh h ASP 99 Ca -0.01 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 3huh h ASP 99 Cb 0.98 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 3huh h ASP 99 CO 0.07 0.97 0.21 0.58 -1.72 0.00 0.00 179.24 179.35 3huh h VAL 100 N 0.43 1.20 -0.53 -1.35 2.07 -0.88 -0.50 116.25 116.69 3huh h VAL 100 Ca 0.02 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3huh h VAL 100 Cb 0.99 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 3huh h VAL 100 CO 0.09 0.22 0.23 0.58 0.02 0.00 0.00 177.57 178.71 3huh h VAL 101 N 0.62 0.87 -0.44 2.57 2.07 -1.12 -0.51 116.25 120.32 3huh h VAL 101 Ca 0.16 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3huh h VAL 101 Cb 0.16 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3huh h VAL 101 CO -0.02 0.08 0.20 -1.28 0.02 0.00 0.00 177.57 176.57 3huh h SER 102 N 0.43 0.58 -0.75 0.57 0.87 -1.08 -1.69 113.55 112.47 3huh h SER 102 Ca 0.25 -0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 3huh h SER 102 Cb 0.23 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 3huh h SER 102 CO -0.22 0.56 0.46 -0.33 -0.53 0.00 0.00 176.83 176.77 3huh h GLU 103 N 0.56 0.86 -0.27 2.24 5.08 -0.38 -0.12 114.58 122.56 3huh h GLU 103 Ca 0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3huh h GLU 103 Cb 0.14 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3huh h GLU 103 CO -0.02 0.57 0.15 0.82 -1.00 0.00 0.00 179.01 179.53 3huh h ILE 104 N 0.88 1.12 -0.59 3.13 2.04 -0.85 -1.92 117.51 121.33 3huh h ILE 104 Ca 0.31 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3huh h ILE 104 Cb 0.08 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3huh h ILE 104 CO -0.14 0.12 0.25 -0.07 0.00 0.00 0.00 178.15 178.32 3huh h LEU 105 N 0.32 0.80 -2.01 1.44 3.38 -0.82 -2.24 115.31 116.18 3huh h LEU 105 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3huh h LEU 105 Cb 0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3huh h LEU 105 CO -0.02 0.73 -0.08 1.56 0.09 0.00 0.00 178.44 180.73 3huh h GLN 106 N 0.81 0.00 -0.01 1.13 4.20 -0.85 -0.83 115.11 119.57 3huh h GLN 106 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3huh h GLN 106 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3huh h GLN 106 CO -0.02 0.08 -0.01 0.00 -0.67 0.00 0.00 178.83 178.21 3huh n ALA 107 N -2.22 2.65 -1.23 3.87 0.00 -0.74 -4.90 120.51 117.94 3huh n ALA 107 Ca -0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 3huh n ALA 107 Cb 0.22 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 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 1.10 0.69 3.81 0.00 0.00 -0.32 -5.02 105.19 105.45 3huh n GLY 108 Ca 0.21 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.18 5.15 0.21 -0.61 1.01 -0.99 -5.05 121.20 118.74 3huh s ILE 109 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 3huh s ILE 109 Cb 0.00 -3.67 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3huh s ILE 109 CO 0.00 0.52 1.03 -0.44 0.00 0.00 0.00 174.94 176.05 3huh s SER 110 N -0.59 7.41 -0.29 3.58 0.01 -1.26 -4.42 113.70 118.14 3huh s SER 110 Ca 0.22 2.05 -0.16 0.00 1.31 0.00 0.00 55.95 59.36 3huh s SER 110 Cb -0.15 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 3huh s SER 110 CO 0.10 -0.07 0.43 -0.63 0.41 0.00 0.00 173.24 173.48 3huh s ILE 111 N -0.68 5.12 0.06 1.44 1.01 -1.26 -4.55 121.20 122.33 3huh s ILE 111 Ca 0.46 0.57 -0.18 0.00 0.00 0.00 0.00 60.65 61.49 3huh s ILE 111 Cb -0.28 -3.79 -0.14 0.00 0.01 0.00 0.00 42.46 38.27 3huh s ILE 111 CO 0.35 0.06 1.33 0.58 0.00 0.00 0.00 174.94 177.25 3huh h VAL 112 N 5.44 1.34 -2.24 2.92 2.07 -1.07 -3.48 116.25 121.24 3huh h VAL 112 Ca -0.30 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 65.70 3huh h VAL 112 Cb 1.15 1.89 -0.17 0.00 -1.52 0.00 0.00 31.29 32.64 3huh h VAL 112 CO 0.69 0.46 0.30 -0.70 0.02 0.00 0.00 177.57 178.34 3huh s GLU 113 N -4.12 1.01 0.00 1.57 2.12 -1.22 -5.00 118.70 113.06 3huh s GLU 113 Ca -0.13 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.16 3huh s GLU 113 Cb 0.06 0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.92 3huh s GLU 113 CO 0.80 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.55 3huh n GLY 114 N 0.36 1.22 3.76 -1.50 0.00 -1.26 -0.69 105.19 107.08 3huh n GLY 114 Ca -0.16 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 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 -1.58 4.29 -0.01 1.61 0.04 -1.26 -4.94 135.00 133.15 3huh s PRO 115 Ca 0.00 2.28 -0.06 0.00 0.04 0.00 0.00 61.00 63.26 3huh s PRO 115 Cb 0.00 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.45 3huh s PRO 115 CO 0.00 -0.34 0.12 0.14 0.04 0.00 0.00 177.00 176.96 3huh s VAL 116 N -0.47 0.07 0.19 -0.36 -7.23 0.04 -4.91 120.40 107.72 3huh s VAL 116 Ca 0.55 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 3huh s VAL 116 Cb -0.41 -0.36 -0.08 0.00 0.56 0.00 0.00 36.38 36.09 3huh s VAL 116 CO 0.48 -0.30 1.18 -1.61 -0.31 0.00 0.00 175.10 174.54 3huh s GLU 117 N -1.04 4.51 0.25 4.82 8.01 -1.26 -0.12 118.70 133.86 3huh s GLU 117 Ca -0.11 1.86 -0.03 0.00 0.01 0.00 0.00 54.97 56.70 3huh s GLU 117 Cb -0.06 -3.24 -0.03 0.00 -4.31 0.00 0.00 34.13 26.49 3huh s GLU 117 CO 0.01 -0.06 0.27 1.03 0.01 0.00 0.00 175.26 176.51 3huh s ARG 118 N -0.29 1.44 -0.27 1.61 1.81 -0.20 -4.91 118.95 118.15 3huh s ARG 118 Ca 0.52 -1.61 -0.15 0.00 -1.72 0.00 0.00 55.73 52.77 3huh s ARG 118 Cb -0.32 0.34 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 3huh s ARG 118 CO 0.37 -0.53 0.36 0.95 -0.68 0.00 0.00 175.30 175.77 3huh s THR 119 N -3.90 5.18 0.74 0.02 -4.23 -1.26 -1.41 115.64 110.78 3huh s THR 119 Ca 0.35 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.37 3huh s THR 119 Cb 0.04 -3.69 0.12 0.00 1.34 0.00 0.00 72.50 70.32 3huh s THR 119 CO 0.14 0.16 1.02 -0.83 -0.54 0.00 0.00 174.62 174.58 3huh s GLY 120 N 1.65 1.76 0.55 3.99 0.00 0.33 -4.90 107.32 110.70 3huh s GLY 120 Ca 0.14 -1.58 0.25 0.00 0.00 0.00 0.00 44.72 43.54 3huh s GLY 120 CO 0.10 -1.02 2.18 0.00 0.00 0.00 0.00 173.10 174.36 3huh h ALA 121 N -0.63 1.59 0.00 3.20 0.00 -1.98 -3.20 119.26 118.24 3huh h ALA 121 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3huh h ALA 121 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3huh h ALA 121 CO 0.42 0.05 -0.09 0.25 0.00 0.00 0.00 179.25 179.88 3huh n THR 122 N -3.99 0.55 -3.47 0.00 -2.24 -1.26 -5.12 114.28 98.75 3huh n THR 122 Ca -0.03 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3huh n THR 122 Cb 0.13 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.34 -1.57 3.77 3.38 0.00 -1.21 -5.13 105.19 104.09 3huh n GLY 123 Ca 0.02 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.93 4.45 0.11 1.61 2.12 -1.26 0.12 118.70 123.92 3huh s GLU 124 Ca 0.00 1.64 0.02 0.00 0.36 0.00 0.00 54.97 56.99 3huh s GLU 124 Cb 0.00 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 3huh s GLU 124 CO 0.00 0.09 -0.05 0.96 -0.54 0.00 0.00 175.26 175.72 3huh s ILE 125 N -1.39 0.66 -0.20 -3.70 -4.36 -0.50 -4.61 121.20 107.09 3huh s ILE 125 Ca 0.50 -1.94 -0.05 0.00 -0.26 0.00 0.00 60.65 58.91 3huh s ILE 125 Cb -0.27 -1.77 -0.02 0.00 1.25 0.00 0.00 42.46 41.65 3huh s ILE 125 CO 0.34 -0.79 -0.02 -0.32 0.24 0.00 0.00 174.94 174.40 3huh s MET 126 N -3.86 3.54 0.11 0.37 -2.45 -0.18 -1.03 119.30 115.80 3huh s MET 126 Ca 0.14 -0.56 0.09 0.00 -1.25 0.00 0.00 55.69 54.11 3huh s MET 126 Cb 0.06 -3.05 -0.04 0.00 1.25 0.00 0.00 34.83 33.05 3huh s MET 126 CO -0.03 -0.04 -0.18 -1.12 1.05 0.00 0.00 175.02 174.69 3huh s SER 127 N 1.13 3.88 -0.04 1.11 0.01 0.83 -1.71 113.70 118.90 3huh s SER 127 Ca 0.02 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 56.77 3huh s SER 127 Cb -0.14 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.54 3huh s SER 127 CO 0.01 0.19 -0.14 -0.51 0.41 0.00 0.00 173.24 173.19 3huh s ILE 128 N -1.12 1.19 -0.08 1.44 -1.16 -0.23 -0.78 121.20 120.45 3huh s ILE 128 Ca 0.18 -0.57 0.01 0.00 -0.51 0.00 0.00 60.65 59.75 3huh s ILE 128 Cb -0.11 -1.04 -0.03 0.00 0.61 0.00 0.00 42.46 41.90 3huh s ILE 128 CO 0.10 0.35 -0.09 -0.31 -2.81 0.00 0.00 174.94 172.18 3huh s TYR 129 N 0.20 2.87 0.28 3.50 2.02 0.13 -0.77 117.35 125.59 3huh s TYR 129 Ca -0.06 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 3huh s TYR 129 Cb -0.11 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3huh s TYR 129 CO 0.02 0.16 0.32 0.96 -1.57 0.00 0.00 175.55 175.44 3huh s ILE 130 N -0.44 0.00 0.10 2.71 -4.36 -0.24 -0.37 121.20 118.61 3huh s ILE 130 Ca 0.06 -1.80 0.09 0.00 -0.26 0.00 0.00 60.65 58.74 3huh s ILE 130 Cb -0.12 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 3huh s ILE 130 CO 0.02 0.00 -0.22 -0.13 0.24 0.00 0.00 174.94 174.85 3huh s ARG 131 N -3.62 1.18 0.81 0.37 0.52 -1.26 -0.19 118.95 116.77 3huh s ARG 131 Ca 0.35 -1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 54.33 3huh s ARG 131 Cb 0.02 -1.48 0.17 0.00 0.52 0.00 0.00 34.95 34.18 3huh s ARG 131 CO 0.18 0.35 1.10 -0.40 0.02 0.00 0.00 175.30 176.56 3huh n ASP 132 N 1.09 1.08 -0.03 0.23 5.75 -0.81 -4.90 116.55 118.96 3huh n ASP 132 Ca -0.19 -2.01 0.23 0.00 -0.01 0.00 0.00 54.79 52.81 3huh n ASP 132 Cb 0.53 -0.75 0.72 0.00 -1.03 0.00 0.00 41.12 40.59 3huh n ASP 132 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3huh h PRO 133 N 0.00 0.00 -0.02 0.11 0.11 -1.92 -1.16 132.00 129.13 3huh h PRO 133 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 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 0.35 0.00 -0.20 -0.25 -0.21 0.00 0.00 178.00 177.69 3huh n ASP 134 N -4.04 1.73 0.00 -2.05 8.00 -1.26 -4.94 116.55 113.99 3huh n ASP 134 Ca 0.12 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.23 3huh n ASP 134 Cb 0.76 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 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 1.32 0.65 3.77 0.44 0.00 -0.44 -3.39 105.19 107.53 3huh n GLY 135 Ca 0.14 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 -2.76 6.02 -0.18 1.61 0.02 -1.26 -4.74 114.94 113.65 3huh s ASN 136 Ca 0.00 2.84 -0.22 0.00 -1.02 0.00 0.00 52.86 54.46 3huh s ASN 136 Cb 0.00 -2.65 -0.02 0.00 0.02 0.00 0.00 41.25 38.60 3huh s ASN 136 CO 0.00 -1.07 0.69 -0.22 0.02 0.00 0.00 177.10 176.52 3huh s LEU 137 N -2.62 4.17 -0.22 0.60 2.96 -0.13 -1.93 118.68 121.51 3huh s LEU 137 Ca 0.60 0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 55.46 3huh s LEU 137 Cb -0.42 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.30 3huh s LEU 137 CO 0.54 -0.29 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.53 3huh s ILE 138 N 1.89 2.56 -0.31 6.68 -1.09 0.74 -1.13 121.20 130.53 3huh s ILE 138 Ca 0.32 -1.00 -0.10 0.00 -2.23 0.00 0.00 60.65 57.64 3huh s ILE 138 Cb -0.16 -2.23 -0.01 0.00 -1.58 0.00 0.00 42.46 38.48 3huh s ILE 138 CO 0.11 0.33 0.17 -0.70 -1.23 0.00 0.00 174.94 173.62 3huh s GLU 139 N 1.31 3.42 -0.21 2.79 2.12 0.11 -1.07 118.70 127.15 3huh s GLU 139 Ca 0.02 -0.67 -0.07 0.00 0.36 0.00 0.00 54.97 54.61 3huh s GLU 139 Cb -0.15 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 3huh s GLU 139 CO -0.08 -0.39 0.05 0.42 -0.54 0.00 0.00 175.26 174.72 3huh s ILE 140 N 1.64 4.36 0.07 -3.70 1.01 0.05 -0.40 121.20 124.24 3huh s ILE 140 Ca 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3huh s ILE 140 Cb -0.17 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3huh s ILE 140 CO 0.07 0.40 -0.06 -0.44 0.00 0.00 0.00 174.94 174.91 3huh s SER 141 N 1.05 0.90 -0.01 3.58 0.01 -0.04 -1.07 113.70 118.12 3huh s SER 141 Ca 0.03 -0.82 0.06 0.00 1.31 0.00 0.00 55.95 56.54 3huh s SER 141 Cb -0.14 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 3huh s SER 141 CO 0.03 -0.38 -0.20 -1.58 0.41 0.00 0.00 173.24 171.51 3huh s GLN 142 N -2.92 1.62 0.00 12.44 0.74 -0.70 -0.58 119.66 130.27 3huh s GLN 142 Ca 0.02 -0.76 0.26 0.00 0.05 0.00 0.00 55.36 54.93 3huh s GLN 142 Cb -0.01 -1.59 1.55 0.00 1.10 0.00 0.00 33.01 34.06 3huh s GLN 142 CO -0.03 0.43 1.90 0.66 -0.55 0.00 0.00 175.29 177.70