#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 5.30 -0.21 1.39 -1.09 -1.26 -5.00 121.20 120.33 3huh s ILE 21 Ca 0.00 0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 58.88 3huh s ILE 21 Cb 0.00 -3.64 -0.19 0.00 -1.58 0.00 0.00 42.46 37.05 3huh s ILE 21 CO 0.00 0.39 0.04 -0.67 -1.23 0.00 0.00 174.94 173.47 3huh n ASP 22 N 3.51 1.99 -3.37 3.58 2.03 -1.26 -5.09 116.55 117.94 3huh n ASP 22 Ca -0.12 0.22 -0.04 0.00 0.52 0.00 0.00 54.79 55.38 3huh n ASP 22 Cb 0.52 -0.79 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.49 1.38 -0.04 -0.67 1.70 -1.26 -5.14 118.95 112.44 3huh s ARG 23 Ca -0.31 -0.87 -0.19 0.00 -0.47 0.00 0.00 55.73 53.90 3huh s ARG 23 Cb 0.09 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 3huh s ARG 23 CO 0.62 -0.64 0.52 0.42 -1.08 0.00 0.00 175.30 175.14 3huh s ILE 24 N -2.32 5.01 -0.21 4.99 1.01 -1.26 -4.97 121.20 123.44 3huh s ILE 24 Ca 0.20 1.07 -0.05 0.00 0.00 0.00 0.00 60.65 61.87 3huh s ILE 24 Cb -0.03 -3.85 -0.19 0.00 0.01 0.00 0.00 42.46 38.40 3huh s ILE 24 CO 0.05 0.43 -0.03 -0.67 0.00 0.00 0.00 174.94 174.73 3huh n ASP 25 N 2.80 2.01 -3.42 3.58 2.03 -1.26 -4.95 116.55 117.34 3huh n ASP 25 Ca -0.08 0.08 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 3huh n ASP 25 Cb 0.51 -0.65 0.01 0.00 -0.72 0.00 0.00 41.12 40.27 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 -2.52 0.05 0.19 -0.67 -3.43 -1.26 -2.68 115.29 104.98 3huh s HIS 26 Ca -0.31 -0.42 -0.17 0.00 -0.80 0.00 0.00 55.06 53.36 3huh s HIS 26 Cb 0.09 0.69 0.03 0.00 -1.43 0.00 0.00 32.58 31.95 3huh s HIS 26 CO 0.64 -0.87 0.52 -0.48 -2.00 0.00 0.00 174.74 172.54 3huh s LEU 27 N -3.38 0.09 -0.12 5.38 0.05 -1.19 -5.02 118.68 114.50 3huh s LEU 27 Ca 0.21 -0.48 0.00 0.00 0.05 0.00 0.00 54.13 53.91 3huh s LEU 27 Cb -0.02 2.12 -0.01 0.00 -2.05 0.00 0.00 46.19 46.22 3huh s LEU 27 CO 0.05 -1.04 -0.14 -0.69 -0.55 0.00 0.00 176.35 173.97 3huh s VAL 28 N -3.87 2.98 -0.15 1.48 1.01 -1.26 -1.01 120.40 119.58 3huh s VAL 28 Ca 0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3huh s VAL 28 Cb -0.01 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3huh s VAL 28 CO -0.03 0.53 -0.03 -0.76 0.00 0.00 0.00 175.10 174.81 3huh s LEU 29 N 0.28 3.33 -0.27 3.92 1.43 -0.60 -4.98 118.68 121.78 3huh s LEU 29 Ca -0.10 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 3huh s LEU 29 Cb -0.16 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 3huh s LEU 29 CO 0.06 0.20 0.25 -0.89 0.23 0.00 0.00 176.35 176.20 3huh s THR 30 N 0.18 5.27 0.23 5.49 2.01 -1.26 -1.01 115.64 126.56 3huh s THR 30 Ca -0.01 0.31 0.09 0.00 0.31 0.00 0.00 61.69 62.39 3huh s THR 30 Cb -0.14 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 3huh s THR 30 CO 0.03 0.23 -0.16 0.68 -0.69 0.00 0.00 174.62 174.70 3huh s VAL 31 N 1.81 1.98 0.09 3.82 -7.23 0.49 -3.59 120.40 117.77 3huh s VAL 31 Ca 0.10 -2.27 -0.15 0.00 -1.81 0.00 0.00 61.98 57.84 3huh s VAL 31 Cb -0.16 -2.16 -0.10 0.00 0.56 0.00 0.00 36.38 34.53 3huh s VAL 31 CO 0.10 -0.51 1.40 -1.28 -0.31 0.00 0.00 175.10 174.50 3huh h SER 32 N 2.44 0.74 -2.78 4.85 0.87 -1.96 -0.87 113.55 116.84 3huh h SER 32 Ca -0.39 -0.49 -0.39 0.00 -1.23 0.00 0.00 61.79 59.29 3huh h SER 32 Cb 1.23 -0.21 -0.38 0.00 -0.44 0.00 0.00 62.40 62.60 3huh h SER 32 CO 0.62 1.08 -0.69 -0.62 -0.53 0.00 0.00 176.83 176.69 3huh s ASP 33 N -6.57 1.89 0.25 6.23 2.15 -1.26 -4.48 116.67 114.89 3huh s ASP 33 Ca -0.12 -0.44 -0.03 0.00 0.43 0.00 0.00 52.55 52.38 3huh s ASP 33 Cb 0.08 0.07 0.42 0.00 -0.30 0.00 0.00 42.92 43.19 3huh s ASP 33 CO 0.83 -0.34 1.82 0.40 -0.17 0.00 0.00 175.17 177.71 3huh h ILE 34 N 6.37 0.93 -0.49 4.11 2.04 -1.92 -1.81 117.51 126.74 3huh h ILE 34 Ca -0.16 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3huh h ILE 34 Cb 1.15 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3huh h ILE 34 CO 0.29 0.16 0.27 0.28 0.00 0.00 0.00 178.15 179.14 3huh h SER 35 N 0.86 0.41 -0.49 1.72 0.02 -1.99 0.45 113.55 114.52 3huh h SER 35 Ca 0.41 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 3huh h SER 35 Cb 0.36 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3huh h SER 35 CO -0.24 0.29 0.16 0.74 -1.14 0.00 0.00 176.83 176.63 3huh h THR 36 N 0.53 1.23 -0.55 -2.27 2.02 -1.86 -2.49 112.91 109.51 3huh h THR 36 Ca 0.21 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3huh h THR 36 Cb 0.07 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3huh h THR 36 CO -0.12 0.28 0.28 0.74 0.37 0.00 0.00 175.52 177.07 3huh h THR 37 N 0.66 1.19 -0.72 3.16 2.02 -0.87 -2.55 112.91 115.80 3huh h THR 37 Ca 0.16 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3huh h THR 37 Cb 0.27 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3huh h THR 37 CO -0.01 0.21 0.42 0.40 0.37 0.00 0.00 175.52 176.92 3huh h ILE 38 N 0.74 1.21 -0.64 3.11 2.04 -0.80 -1.91 117.51 121.27 3huh h ILE 38 Ca 0.19 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3huh h ILE 38 Cb 0.08 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 3huh h ILE 38 CO -0.03 0.23 0.40 0.03 0.00 0.00 0.00 178.15 178.78 3huh h ARG 39 N 0.99 0.77 0.23 2.37 3.08 -1.21 -0.59 114.38 120.02 3huh h ARG 39 Ca 0.26 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3huh h ARG 39 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3huh h ARG 39 CO -0.05 0.51 -0.11 0.35 -1.07 0.00 0.00 179.97 179.60 3huh h PHE 40 N 0.79 -0.29 -0.13 3.04 3.57 -1.10 -0.84 116.94 121.99 3huh h PHE 40 Ca 0.25 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 3huh h PHE 40 Cb -0.00 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3huh h PHE 40 CO -0.05 -0.06 -0.28 1.88 -2.23 0.00 0.00 178.31 177.57 3huh h TYR 41 N -0.47 0.26 0.04 0.41 -1.99 -1.22 0.30 116.97 114.30 3huh h TYR 41 Ca -0.03 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.64 3huh h TYR 41 Cb 0.35 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.02 3huh h TYR 41 CO -0.02 0.51 -0.02 0.93 -0.00 0.00 0.00 178.16 179.56 3huh h GLU 42 N 0.21 -0.05 -0.25 4.88 5.08 -1.10 -0.91 114.58 122.45 3huh h GLU 42 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3huh h GLU 42 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3huh h GLU 42 CO 0.04 0.62 -0.45 0.93 -1.00 0.00 0.00 179.01 179.15 3huh h GLU 43 N -0.82 0.63 0.00 2.33 5.08 -1.15 -2.28 114.58 118.37 3huh h GLU 43 Ca -0.01 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 3huh h GLU 43 Cb 0.69 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3huh h GLU 43 CO 0.01 0.96 -0.84 0.28 -1.00 0.00 0.00 179.01 178.42 3huh n VAL 44 N -4.01 1.46 1.15 3.13 0.31 0.09 -4.55 118.33 115.90 3huh n VAL 44 Ca -0.02 0.12 0.13 0.00 -0.01 0.00 0.00 64.34 64.56 3huh n VAL 44 Cb 0.55 -2.28 0.46 0.00 -0.91 0.00 0.00 33.84 31.66 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 -4.54 0.43 -0.41 7.52 4.77 -1.00 -4.96 117.00 118.81 3huh n LEU 45 Ca -0.16 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.86 3huh n LEU 45 Cb 0.42 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3huh n LEU 45 CO 0.13 0.09 -0.05 0.61 -1.33 0.00 0.00 177.39 176.84 3huh n GLY 46 N 1.42 0.79 3.78 -0.72 0.00 -0.46 -4.97 105.19 105.03 3huh n GLY 46 Ca 0.09 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.17 2.50 -0.12 1.61 0.08 -0.57 -4.94 117.98 114.38 3huh s PHE 47 Ca 0.00 0.88 0.02 0.00 0.12 0.00 0.00 56.93 57.94 3huh s PHE 47 Cb 0.00 -3.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.10 3huh s PHE 47 CO 0.00 -2.37 -0.16 -1.12 -0.10 0.00 0.00 175.22 171.47 3huh s SER 48 N -3.98 2.57 0.34 1.36 0.01 -0.64 -4.23 113.70 109.13 3huh s SER 48 Ca 0.64 -0.46 -0.26 0.00 1.31 0.00 0.00 55.95 57.18 3huh s SER 48 Cb -0.15 -1.15 -0.10 0.00 0.21 0.00 0.00 66.02 64.83 3huh s SER 48 CO 0.54 0.01 0.96 0.00 0.41 0.00 0.00 173.24 175.16 3huh s ALA 49 N 1.04 3.19 0.06 1.44 0.00 -1.26 -0.17 121.76 126.07 3huh s ALA 49 Ca -0.05 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 3huh s ALA 49 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3huh s ALA 49 CO -0.03 0.11 0.05 0.14 0.00 0.00 0.00 175.76 176.03 3huh s VAL 50 N -1.64 0.19 -0.14 0.00 -7.23 -0.17 -4.93 120.40 106.47 3huh s VAL 50 Ca 0.52 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 3huh s VAL 50 Cb -0.19 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 3huh s VAL 50 CO 0.24 -0.85 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.15 3huh s THR 51 N -3.82 2.86 0.21 5.32 2.01 -1.26 -1.44 115.64 119.53 3huh s THR 51 Ca 0.06 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.37 3huh s THR 51 Cb 0.06 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 3huh s THR 51 CO -0.10 0.52 -0.03 0.72 -0.69 0.00 0.00 174.62 175.04 3huh s PHE 52 N 0.57 1.47 -1.43 4.92 -0.12 0.22 -4.78 117.98 118.83 3huh s PHE 52 Ca -0.09 -0.89 -0.08 0.00 -0.05 0.00 0.00 56.93 55.82 3huh s PHE 52 Cb -0.16 -0.83 0.04 0.00 -0.63 0.00 0.00 43.02 41.45 3huh s PHE 52 CO 0.03 -0.02 0.65 1.63 -0.05 0.00 0.00 175.22 177.46 3huh n LYS 53 N -0.36 -4.58 0.00 1.99 5.02 -1.26 -0.89 118.16 118.09 3huh n LYS 53 Ca -0.06 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3huh n LYS 53 Cb 0.63 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 3huh n LYS 53 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3huh n GLN 54 N -4.07 0.00 -0.23 1.97 7.27 -1.26 -4.24 117.38 116.82 3huh n GLN 54 Ca -0.04 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.04 3huh n GLN 54 Cb 0.57 -0.12 0.01 0.00 2.41 0.00 0.00 30.24 33.12 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 1.46 0.38 -4.83 1.69 0.23 -1.18 -5.05 115.26 107.95 3huh n ASN 55 Ca 0.00 -1.73 -0.30 0.00 -0.53 0.00 0.00 54.58 52.02 3huh n ASN 55 Cb 0.00 -0.13 -0.05 0.00 -2.08 0.00 0.00 39.78 37.51 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 -0.35 3.10 0.03 -3.83 0.52 -0.06 -4.94 118.95 113.41 3huh s ARG 56 Ca 0.03 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3huh s ARG 56 Cb 0.03 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 3huh s ARG 56 CO 0.00 0.57 -0.04 0.15 0.02 0.00 0.00 175.30 176.00 3huh s LYS 57 N -2.51 2.56 0.07 3.54 -0.14 -1.26 -0.61 119.74 121.39 3huh s LYS 57 Ca 0.32 -0.75 -0.07 0.00 -1.36 0.00 0.00 55.97 54.11 3huh s LYS 57 Cb -0.12 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.49 3huh s LYS 57 CO 0.24 0.59 0.14 0.00 -0.76 0.00 0.00 175.35 175.56 3huh s ALA 58 N -1.09 -0.08 -0.23 5.17 0.00 -0.52 -1.21 121.76 123.80 3huh s ALA 58 Ca 0.19 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3huh s ALA 58 Cb -0.11 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.46 3huh s ALA 58 CO 0.10 -0.46 -0.13 -0.51 0.00 0.00 0.00 175.76 174.76 3huh s LEU 59 N -2.76 2.90 0.08 0.00 1.43 0.77 -1.00 118.68 120.09 3huh s LEU 59 Ca 0.04 -1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 51.93 3huh s LEU 59 Cb 0.05 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 3huh s LEU 59 CO -0.10 -0.11 0.59 -0.63 0.23 0.00 0.00 176.35 176.34 3huh s ILE 60 N 1.22 4.70 -0.25 -0.59 -1.09 0.77 -1.08 121.20 124.87 3huh s ILE 60 Ca -0.02 1.27 -0.25 0.00 -2.23 0.00 0.00 60.65 59.42 3huh s ILE 60 Cb -0.17 -3.93 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 3huh s ILE 60 CO -0.08 0.55 0.71 0.72 -1.23 0.00 0.00 174.94 175.61 3huh s PHE 61 N -1.11 -0.77 0.00 3.97 -0.12 -1.05 -1.62 117.98 117.29 3huh s PHE 61 Ca 0.30 1.83 0.00 0.00 -0.05 0.00 0.00 56.93 59.00 3huh s PHE 61 Cb -0.20 0.28 0.00 0.00 -0.63 0.00 0.00 43.02 42.47 3huh s PHE 61 CO 0.20 -0.39 0.00 0.41 -0.05 0.00 0.00 175.22 175.38 3huh n GLY 62 N 2.54 3.07 1.54 1.99 0.00 -1.26 -0.97 105.19 112.09 3huh n GLY 62 Ca -0.14 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 9.59 4.73 -3.93 4.61 0.00 -1.26 -5.00 120.51 129.25 3huh n ALA 63 Ca 0.00 -3.47 -0.17 0.00 0.00 0.00 0.00 53.44 49.80 3huh n ALA 63 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.94 0.30 -3.51 0.00 6.02 -0.15 -4.98 117.38 114.13 3huh n GLN 64 Ca 0.38 -2.45 -0.10 0.00 -0.01 0.00 0.00 57.00 54.82 3huh n GLN 64 Cb 0.91 2.02 -0.02 0.00 1.02 0.00 0.00 30.24 34.17 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 -3.00 1.23 -0.19 -1.09 -2.85 -1.09 -2.52 119.74 110.23 3huh s LYS 65 Ca 0.29 -0.50 0.01 0.00 -1.00 0.00 0.00 55.97 54.78 3huh s LYS 65 Cb 0.01 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.35 3huh s LYS 65 CO 0.21 -0.54 -0.18 0.42 0.10 0.00 0.00 175.35 175.35 3huh s ILE 66 N -3.60 2.06 0.19 3.79 -1.09 -0.25 -3.19 121.20 119.12 3huh s ILE 66 Ca 0.04 -1.06 -0.19 0.00 -2.23 0.00 0.00 60.65 57.21 3huh s ILE 66 Cb -0.02 -1.92 -0.08 0.00 -1.58 0.00 0.00 42.46 38.86 3huh s ILE 66 CO -0.09 0.43 0.67 0.20 -1.23 0.00 0.00 174.94 174.92 3huh s ASN 67 N 1.26 7.02 -0.08 3.58 0.01 -0.18 -0.17 114.94 126.39 3huh s ASN 67 Ca 0.02 1.34 0.01 0.00 -0.71 0.00 0.00 52.86 53.52 3huh s ASN 67 Cb -0.14 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.10 3huh s ASN 67 CO -0.11 0.08 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.72 3huh s LEU 68 N -1.85 3.09 -0.07 0.60 1.43 -0.35 -1.56 118.68 119.97 3huh s LEU 68 Ca 0.40 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 3huh s LEU 68 Cb -0.17 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 3huh s LEU 68 CO 0.21 0.33 -0.21 -1.00 0.23 0.00 0.00 176.35 175.90 3huh s HIS 69 N -0.61 2.21 -0.01 0.29 3.76 -0.18 -4.48 115.29 116.27 3huh s HIS 69 Ca 0.09 -0.78 -0.08 0.00 -0.15 0.00 0.00 55.06 54.15 3huh s HIS 69 Cb -0.12 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 32.04 3huh s HIS 69 CO 0.02 -0.29 0.26 -1.14 -0.85 0.00 0.00 174.74 172.74 3huh s GLN 70 N 0.18 3.60 0.50 1.40 0.74 -1.26 -0.38 119.66 124.44 3huh s GLN 70 Ca -0.11 -0.02 -0.22 0.00 0.05 0.00 0.00 55.36 55.06 3huh s GLN 70 Cb -0.15 -3.11 -0.08 0.00 1.10 0.00 0.00 33.01 30.77 3huh s GLN 70 CO 0.05 0.68 1.03 1.04 -0.55 0.00 0.00 175.29 177.54 3huh n GLN 71 N 1.35 1.24 -0.37 1.67 6.02 -0.33 -1.41 117.38 125.55 3huh n GLN 71 Ca -0.13 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 3huh n GLN 71 Cb 0.53 -2.16 0.00 0.00 1.02 0.00 0.00 30.24 29.64 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 -0.39 0.00 -2.67 -1.09 -0.58 -1.26 -4.77 120.64 109.89 3huh n GLU 72 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 3huh n GLU 72 Cb 0.43 -2.01 0.05 0.00 -0.57 0.00 0.00 31.44 29.34 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 1.50 -2.51 3.49 0.00 -0.50 -5.09 117.12 112.01 3huh n MET 73 Ca 0.00 -3.10 -0.43 0.00 0.00 0.00 0.00 57.70 54.17 3huh n MET 73 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 33.22 31.98 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 -2.99 3.97 0.61 3.17 2.02 -1.17 -4.37 118.70 119.93 3huh s GLU 74 Ca 0.26 1.15 -0.17 0.00 0.02 0.00 0.00 54.97 56.22 3huh s GLU 74 Cb 0.34 -3.83 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 3huh s GLU 74 CO -0.06 -1.05 1.16 -0.06 0.02 0.00 0.00 175.26 175.27 3huh s PHE 75 N 4.10 2.48 0.21 1.61 0.40 -1.26 -4.99 117.98 120.52 3huh s PHE 75 Ca 0.52 1.54 0.09 0.00 -0.60 0.00 0.00 56.93 58.48 3huh s PHE 75 Cb -0.15 -3.35 -0.04 0.00 0.51 0.00 0.00 43.02 39.99 3huh s PHE 75 CO 0.21 -1.96 -0.08 -1.21 0.70 0.00 0.00 175.22 172.88 3huh s GLU 76 N -3.59 2.09 0.79 0.44 2.02 -1.26 -4.14 118.70 115.05 3huh s GLU 76 Ca 0.73 -1.34 -0.11 0.00 0.02 0.00 0.00 54.97 54.27 3huh s GLU 76 Cb -0.26 -2.13 0.07 0.00 0.10 0.00 0.00 34.13 31.91 3huh s GLU 76 CO 0.35 0.41 1.09 -1.25 0.02 0.00 0.00 175.26 175.88 3huh s PRO 77 N -3.08 2.11 0.31 0.39 0.04 -1.26 -5.20 135.00 128.31 3huh s PRO 77 Ca 0.27 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3huh s PRO 77 Cb -0.08 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3huh s PRO 77 CO 0.16 -1.70 0.36 -1.59 0.04 0.00 0.00 177.00 174.27 3huh s LYS 78 N -4.95 1.73 0.77 4.56 -2.85 -1.26 -5.15 119.74 112.60 3huh s LYS 78 Ca 0.61 -1.79 -0.15 0.00 -1.00 0.00 0.00 55.97 53.64 3huh s LYS 78 Cb -0.17 0.38 0.03 0.00 -2.06 0.00 0.00 37.83 36.01 3huh s LYS 78 CO 0.56 -0.68 0.94 0.00 0.10 0.00 0.00 175.35 176.28 3huh n ALA 79 N -0.53 -0.53 0.10 0.59 0.00 -1.26 -4.89 120.51 113.99 3huh n ALA 79 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.20 3huh n ALA 79 Cb 0.62 -2.10 0.33 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.59 0.26 -2.33 0.00 0.02 -2.05 -3.32 113.55 105.54 3huh h SER 80 Ca -0.46 -0.07 -0.59 0.00 -0.84 0.00 0.00 61.79 59.83 3huh h SER 80 Cb 1.32 -0.07 -0.40 0.00 0.14 0.00 0.00 62.40 63.39 3huh h SER 80 CO 0.45 0.48 -0.85 0.54 -1.14 0.00 0.00 176.83 176.31 3huh n ARG 81 N -4.21 1.25 -1.66 3.45 1.74 -1.26 -5.08 116.66 110.89 3huh n ARG 81 Ca -0.01 -3.81 -0.46 0.00 -0.77 0.00 0.00 57.85 52.81 3huh n ARG 81 Cb 0.32 -1.78 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.70 2.40 -3.69 5.56 -0.02 -1.25 -4.95 135.00 134.75 3huh n PRO 82 Ca 0.25 0.87 -0.22 0.00 -2.02 0.00 0.00 63.50 62.38 3huh n PRO 82 Cb 0.46 -2.82 -0.18 0.00 -0.02 0.00 0.00 33.50 30.94 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 4.60 0.03 0.35 3.45 2.01 -1.26 -5.07 115.64 119.75 3huh s THR 83 Ca 0.92 0.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.90 3huh s THR 83 Cb -0.58 -0.32 -0.10 0.00 0.01 0.00 0.00 72.50 71.51 3huh s THR 83 CO 0.47 0.14 1.32 -2.84 -0.69 0.00 0.00 174.62 173.02 3huh s PRO 84 N 2.11 4.27 0.00 4.92 0.02 -1.24 -2.53 135.00 142.55 3huh s PRO 84 Ca 0.04 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.30 3huh s PRO 84 Cb -0.13 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3huh s PRO 84 CO -0.04 -0.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 3huh n GLY 85 N 0.75 0.66 0.39 0.52 0.00 -1.19 -4.92 105.19 101.40 3huh n GLY 85 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 1.44 -4.84 1.61 3.41 -1.05 -4.18 113.62 110.00 3huh n SER 86 Ca 0.00 -1.21 -0.34 0.00 -0.26 0.00 0.00 58.87 57.06 3huh n SER 86 Cb 0.00 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.36 3.49 -0.31 7.33 0.00 -1.26 -5.00 121.76 123.65 3huh s ALA 87 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 3huh s ALA 87 Cb 0.19 -2.62 0.12 0.00 0.00 0.00 0.00 23.12 20.81 3huh s ALA 87 CO 0.48 0.41 0.16 0.34 0.00 0.00 0.00 175.76 177.15 3huh s ASP 88 N -1.94 3.31 0.09 0.00 -1.08 -1.26 -0.78 116.67 115.02 3huh s ASP 88 Ca 0.44 -1.66 0.10 0.00 -0.52 0.00 0.00 52.55 50.91 3huh s ASP 88 Cb -0.14 -0.37 -0.04 0.00 -1.46 0.00 0.00 42.92 40.92 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 2.29 -0.11 -1.34 1.43 -0.43 -4.99 118.68 117.21 3huh s LEU 89 Ca 0.13 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3huh s LEU 89 Cb -0.19 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.76 3huh s LEU 89 CO -0.21 0.21 -0.22 0.00 0.23 0.00 0.00 176.35 176.36 3huh s PHE 91 N 0.56 2.72 -0.11 0.00 0.08 0.43 -4.97 117.98 116.69 3huh s PHE 91 Ca -0.14 -0.21 -0.16 0.00 0.12 0.00 0.00 56.93 56.54 3huh s PHE 91 Cb -0.17 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 3huh s PHE 91 CO 0.04 0.15 0.41 0.42 -0.10 0.00 0.00 175.22 176.14 3huh s ILE 92 N -0.61 5.20 0.14 0.64 -1.09 -1.26 -0.58 121.20 123.64 3huh s ILE 92 Ca 0.09 0.80 0.07 0.00 -2.23 0.00 0.00 60.65 59.38 3huh s ILE 92 Cb -0.11 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 3huh s ILE 92 CO 0.01 0.39 -0.04 0.28 -1.23 0.00 0.00 174.94 174.35 3huh s THR 93 N 0.30 3.59 -1.82 2.92 -1.32 0.84 -4.91 115.64 115.23 3huh s THR 93 Ca 0.23 -1.35 0.21 0.00 -1.21 0.00 0.00 61.69 59.57 3huh s THR 93 Cb -0.15 -2.75 -0.04 0.00 -1.51 0.00 0.00 72.50 68.05 3huh s THR 93 CO 0.09 -0.01 1.03 -1.54 -2.21 0.00 0.00 174.62 171.97 3huh n SER 94 N 0.24 1.84 -4.74 8.08 3.41 -1.26 -4.53 113.62 116.66 3huh n SER 94 Ca -0.11 -1.42 -0.41 0.00 -0.26 0.00 0.00 58.87 56.67 3huh n SER 94 Cb 0.54 0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 64.99 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 -2.47 4.40 0.00 6.66 2.01 -1.26 -4.95 115.64 120.03 3huh s THR 95 Ca 0.16 2.03 -0.37 0.00 0.31 0.00 0.00 61.69 63.82 3huh s THR 95 Cb 0.17 -4.30 -0.16 0.00 0.01 0.00 0.00 72.50 68.22 3huh s THR 95 CO 0.59 0.38 1.48 -2.65 -0.69 0.00 0.00 174.62 173.72 3huh n PRO 96 N 2.41 1.28 -0.23 4.92 -0.02 -1.26 -4.77 135.00 137.32 3huh n PRO 96 Ca 0.01 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 3huh n PRO 96 Cb 0.49 -2.13 0.41 0.00 -0.02 0.00 0.00 33.50 32.24 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 3.88 0.84 0.00 4.25 6.09 -1.94 0.68 117.51 131.31 3huh h ILE 97 Ca -0.47 -0.21 -0.07 0.00 -1.37 0.00 0.00 64.86 62.73 3huh h ILE 97 Cb 1.32 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.77 3huh h ILE 97 CO 0.84 0.11 -0.35 0.78 -3.07 0.00 0.00 178.15 176.46 3huh h ASN 98 N 0.62 0.00 0.42 2.19 2.35 -2.00 -0.41 115.58 118.75 3huh h ASN 98 Ca 0.41 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.98 3huh h ASN 98 Cb 0.71 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3huh h ASN 98 CO -0.17 0.35 -0.76 0.44 -1.65 0.00 0.00 177.43 175.65 3huh h ASP 99 N 0.00 0.32 -0.47 5.81 3.32 -1.25 -2.86 116.42 121.30 3huh h ASP 99 Ca -0.00 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 3huh h ASP 99 Cb 0.69 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3huh h ASP 99 CO 0.05 0.96 0.07 0.58 -1.72 0.00 0.00 179.24 179.18 3huh h VAL 100 N 0.17 1.25 -0.61 -1.35 2.07 -0.37 -1.11 116.25 116.31 3huh h VAL 100 Ca -0.03 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3huh h VAL 100 Cb 1.33 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3huh h VAL 100 CO 0.12 0.32 0.37 1.62 0.02 0.00 0.00 177.57 180.02 3huh h VAL 101 N 0.64 1.06 -0.71 2.57 3.04 -1.05 -1.15 116.25 120.66 3huh h VAL 101 Ca 0.14 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.58 3huh h VAL 101 Cb 0.40 0.27 -0.03 0.00 -2.01 0.00 0.00 31.29 29.92 3huh h VAL 101 CO 0.01 0.13 0.42 -1.28 -1.01 0.00 0.00 177.57 175.85 3huh h SER 102 N 0.72 0.85 -0.50 3.17 0.87 -1.26 -1.31 113.55 116.08 3huh h SER 102 Ca 0.25 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3huh h SER 102 Cb 0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3huh h SER 102 CO -0.11 0.66 0.31 -0.33 -0.53 0.00 0.00 176.83 176.83 3huh h GLU 103 N 0.96 0.67 -0.31 2.24 5.08 -0.56 0.14 114.58 122.80 3huh h GLU 103 Ca 0.25 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3huh h GLU 103 Cb -0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3huh h GLU 103 CO -0.05 0.48 0.19 0.82 -1.00 0.00 0.00 179.01 179.45 3huh h ILE 104 N 0.67 1.05 -0.24 3.13 2.04 -0.88 -1.27 117.51 122.01 3huh h ILE 104 Ca 0.18 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3huh h ILE 104 Cb -0.02 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3huh h ILE 104 CO -0.03 0.07 0.10 -0.07 0.00 0.00 0.00 178.15 178.21 3huh h LEU 105 N 0.38 0.33 -1.92 1.44 3.38 -0.93 -1.79 115.31 116.20 3huh h LEU 105 Ca 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3huh h LEU 105 Cb -0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3huh h LEU 105 CO -0.05 0.40 -0.10 1.56 0.09 0.00 0.00 178.44 180.35 3huh h GLN 106 N 0.23 0.00 0.00 1.13 4.20 -0.80 -0.09 115.11 119.78 3huh h GLN 106 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3huh h GLN 106 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3huh h GLN 106 CO -0.01 0.10 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 3huh n ALA 107 N -2.44 2.35 -0.92 3.87 0.00 -0.49 -4.88 120.51 117.99 3huh n ALA 107 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3huh n ALA 107 Cb 0.18 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.01 0.45 3.75 0.00 0.00 -0.05 -5.03 105.19 105.32 3huh n GLY 108 Ca 0.13 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 5.09 0.18 -0.61 1.01 -0.70 -5.03 121.20 119.13 3huh s ILE 109 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 60.65 61.37 3huh s ILE 109 Cb 0.00 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 3huh s ILE 109 CO 0.00 0.39 1.09 -0.44 0.00 0.00 0.00 174.94 175.98 3huh s SER 110 N 0.15 7.29 -0.31 3.58 0.01 -1.26 -4.32 113.70 118.83 3huh s SER 110 Ca 0.27 2.08 -0.17 0.00 1.31 0.00 0.00 55.95 59.43 3huh s SER 110 Cb -0.16 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.45 3huh s SER 110 CO 0.13 -0.20 0.48 -0.63 0.41 0.00 0.00 173.24 173.43 3huh s ILE 111 N -0.27 5.06 0.16 1.44 1.01 -1.26 -4.56 121.20 122.78 3huh s ILE 111 Ca 0.49 0.52 -0.10 0.00 0.00 0.00 0.00 60.65 61.55 3huh s ILE 111 Cb -0.29 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.32 3huh s ILE 111 CO 0.35 -0.06 1.56 0.58 0.00 0.00 0.00 174.94 177.37 3huh h VAL 112 N 5.51 1.27 -1.80 2.92 2.07 -0.91 -3.47 116.25 121.84 3huh h VAL 112 Ca -0.29 -1.32 0.08 0.00 0.82 0.00 0.00 66.70 65.99 3huh h VAL 112 Cb 1.14 1.08 -0.20 0.00 -1.52 0.00 0.00 31.29 31.78 3huh h VAL 112 CO 0.73 0.46 0.51 -0.70 0.02 0.00 0.00 177.57 178.59 3huh s GLU 113 N -4.75 0.69 0.00 1.57 2.12 -1.23 -5.00 118.70 112.11 3huh s GLU 113 Ca -0.12 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.23 3huh s GLU 113 Cb 0.12 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.84 3huh s GLU 113 CO 0.86 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 3huh n GLY 114 N 0.45 1.22 3.75 -1.50 0.00 -1.26 -0.73 105.19 107.11 3huh n GLY 114 Ca -0.10 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 3huh n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3huh s PRO 115 N -1.52 4.20 -0.01 1.61 0.02 -1.26 -4.94 135.00 133.11 3huh s PRO 115 Ca 0.00 2.43 -0.05 0.00 0.02 0.00 0.00 61.00 63.40 3huh s PRO 115 Cb 0.00 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.46 3huh s PRO 115 CO 0.00 -0.50 0.10 0.14 -0.33 0.00 0.00 177.00 176.41 3huh s VAL 116 N -0.15 0.06 0.24 3.83 -7.23 -0.00 -4.92 120.40 112.24 3huh s VAL 116 Ca 0.60 -0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 59.95 3huh s VAL 116 Cb -0.44 -0.32 -0.09 0.00 0.56 0.00 0.00 36.38 36.08 3huh s VAL 116 CO 0.47 -0.29 1.17 -1.61 -0.31 0.00 0.00 175.10 174.53 3huh s GLU 117 N -0.96 4.54 0.14 4.82 8.01 -1.26 -0.30 118.70 133.70 3huh s GLU 117 Ca -0.10 1.88 -0.02 0.00 0.01 0.00 0.00 54.97 56.74 3huh s GLU 117 Cb -0.06 -3.20 -0.04 0.00 -4.31 0.00 0.00 34.13 26.53 3huh s GLU 117 CO 0.01 0.03 0.09 1.03 0.01 0.00 0.00 175.26 176.43 3huh s ARG 118 N -0.95 0.98 -0.44 1.61 1.81 0.35 -4.90 118.95 117.40 3huh s ARG 118 Ca 0.49 -1.41 -0.14 0.00 -1.72 0.00 0.00 55.73 52.95 3huh s ARG 118 Cb -0.33 0.26 0.06 0.00 -0.45 0.00 0.00 34.95 34.49 3huh s ARG 118 CO 0.40 -0.29 0.34 0.95 -0.68 0.00 0.00 175.30 176.02 3huh s THR 119 N -4.04 5.03 0.48 0.02 -4.23 -1.26 -0.91 115.64 110.73 3huh s THR 119 Ca 0.24 -1.02 -0.08 0.00 -1.18 0.00 0.00 61.69 59.65 3huh s THR 119 Cb 0.07 -3.96 0.11 0.00 1.34 0.00 0.00 72.50 70.06 3huh s THR 119 CO 0.02 -0.49 0.59 0.61 -0.54 0.00 0.00 174.62 174.81 3huh n GLY 120 N 5.13 -1.62 0.30 3.99 0.00 0.20 -4.94 105.19 108.25 3huh n GLY 120 Ca -0.12 -1.63 -0.05 0.00 0.00 0.00 0.00 46.02 44.22 3huh n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huh h ALA 121 N -2.01 0.98 -0.00 4.61 0.00 -1.98 -3.27 119.26 117.59 3huh h ALA 121 Ca -0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3huh h ALA 121 Cb 0.55 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3huh h ALA 121 CO 0.14 0.44 -0.00 0.25 0.00 0.00 0.00 179.25 180.08 3huh n THR 122 N -4.50 1.89 -1.19 0.00 -2.24 -1.26 -5.09 114.28 101.89 3huh n THR 122 Ca 0.07 -2.27 0.00 0.00 -2.27 0.00 0.00 64.05 59.58 3huh n THR 122 Cb 0.05 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.44 -0.93 3.77 3.38 0.00 -1.23 -5.13 105.19 103.62 3huh n GLY 123 Ca 0.16 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 3huh n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3huh s GLU 124 N -1.80 4.12 0.06 1.61 0.41 -1.26 0.60 118.70 122.44 3huh s GLU 124 Ca 0.00 1.90 0.00 0.00 -0.41 0.00 0.00 54.97 56.46 3huh s GLU 124 Cb 0.00 -2.75 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 3huh s GLU 124 CO 0.00 -0.28 -0.04 0.96 -0.49 0.00 0.00 175.26 175.40 3huh s ILE 125 N -1.36 0.38 -0.24 -1.63 -4.36 -0.08 -4.60 121.20 109.31 3huh s ILE 125 Ca 0.55 -1.71 -0.06 0.00 -0.26 0.00 0.00 60.65 59.18 3huh s ILE 125 Cb -0.32 -1.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.99 3huh s ILE 125 CO 0.41 -0.87 0.02 -0.32 0.24 0.00 0.00 174.94 174.42 3huh s MET 126 N -3.48 3.49 0.06 0.37 -2.45 -0.68 -0.49 119.30 116.11 3huh s MET 126 Ca 0.05 -0.57 0.06 0.00 -1.25 0.00 0.00 55.69 53.98 3huh s MET 126 Cb 0.04 -3.17 -0.04 0.00 1.25 0.00 0.00 34.83 32.91 3huh s MET 126 CO -0.07 -0.21 -0.13 -1.12 1.05 0.00 0.00 175.02 174.55 3huh s SER 127 N 1.54 4.20 -0.03 1.11 0.01 0.59 -1.92 113.70 119.20 3huh s SER 127 Ca 0.06 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.01 3huh s SER 127 Cb -0.15 -0.79 -0.01 0.00 0.21 0.00 0.00 66.02 65.28 3huh s SER 127 CO 0.00 0.23 -0.17 -0.51 0.41 0.00 0.00 173.24 173.21 3huh s ILE 128 N -1.05 1.36 -0.08 1.44 -1.16 -0.22 -0.82 121.20 120.66 3huh s ILE 128 Ca 0.18 -0.70 0.02 0.00 -0.51 0.00 0.00 60.65 59.64 3huh s ILE 128 Cb -0.11 -1.15 -0.02 0.00 0.61 0.00 0.00 42.46 41.79 3huh s ILE 128 CO 0.09 0.39 -0.14 -0.31 -2.81 0.00 0.00 174.94 172.16 3huh s TYR 129 N -0.11 2.75 0.29 3.50 2.02 0.09 -0.62 117.35 125.27 3huh s TYR 129 Ca 0.00 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3huh s TYR 129 Cb -0.09 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 3huh s TYR 129 CO 0.01 0.05 0.28 0.96 -1.57 0.00 0.00 175.55 175.28 3huh s ILE 130 N -0.35 0.00 0.07 2.71 -4.36 -0.26 -0.15 121.20 118.86 3huh s ILE 130 Ca 0.04 -1.89 0.08 0.00 -0.26 0.00 0.00 60.65 58.62 3huh s ILE 130 Cb -0.12 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.05 3huh s ILE 130 CO 0.02 0.00 -0.21 -0.13 0.24 0.00 0.00 174.94 174.86 3huh s ARG 131 N -3.64 1.29 0.75 0.37 0.52 -1.26 -0.48 118.95 116.50 3huh s ARG 131 Ca 0.37 -1.04 -0.04 0.00 -0.52 0.00 0.00 55.73 54.50 3huh s ARG 131 Cb 0.03 -1.48 0.13 0.00 0.52 0.00 0.00 34.95 34.15 3huh s ARG 131 CO 0.20 0.36 1.04 0.16 0.02 0.00 0.00 175.30 177.09 3huh s ASP 132 N -1.49 4.25 0.56 0.23 -4.77 -0.88 -4.91 116.67 109.66 3huh s ASP 132 Ca 0.07 -0.12 0.31 0.00 -3.30 0.00 0.00 52.55 49.52 3huh s ASP 132 Cb -0.09 -0.27 1.46 0.00 -1.09 0.00 0.00 42.92 42.92 3huh s ASP 132 CO 0.03 -1.94 1.84 -0.65 0.70 0.00 0.00 175.17 175.15 3huh h PRO 133 N -0.70 0.00 -0.02 2.11 0.11 -1.92 -0.99 132.00 130.60 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 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3huh h PRO 133 CO 0.43 0.00 -0.04 -0.25 -0.21 0.00 0.00 178.00 177.93 3huh n ASP 134 N -4.00 2.26 0.00 -2.05 8.00 -1.26 -4.95 116.55 114.55 3huh n ASP 134 Ca 0.17 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.94 3huh n ASP 134 Cb 0.95 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 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 1.28 0.57 3.76 0.44 0.00 -0.37 -3.16 105.19 107.71 3huh n GLY 135 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.99 5.60 -0.19 1.61 0.02 -1.26 -4.75 114.94 112.98 3huh s ASN 136 Ca 0.00 2.82 -0.20 0.00 -1.02 0.00 0.00 52.86 54.46 3huh s ASN 136 Cb 0.00 -2.64 -0.03 0.00 0.02 0.00 0.00 41.25 38.60 3huh s ASN 136 CO 0.00 -1.35 0.58 -0.22 0.02 0.00 0.00 177.10 176.13 3huh s LEU 137 N -3.11 4.16 -0.23 0.60 2.96 0.04 -2.08 118.68 121.01 3huh s LEU 137 Ca 0.66 0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 3huh s LEU 137 Cb -0.42 -2.82 0.02 0.00 0.50 0.00 0.00 46.19 43.48 3huh s LEU 137 CO 0.51 -0.22 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.61 3huh s ILE 138 N 1.69 2.82 -0.36 6.68 -1.09 0.36 -1.32 121.20 129.99 3huh s ILE 138 Ca 0.27 -0.92 -0.12 0.00 -2.23 0.00 0.00 60.65 57.66 3huh s ILE 138 Cb -0.16 -2.37 0.01 0.00 -1.58 0.00 0.00 42.46 38.37 3huh s ILE 138 CO 0.10 0.30 0.22 -0.70 -1.23 0.00 0.00 174.94 173.63 3huh s GLU 139 N 1.34 3.11 -0.23 2.79 2.12 0.57 -1.10 118.70 127.30 3huh s GLU 139 Ca 0.02 -0.89 -0.10 0.00 0.36 0.00 0.00 54.97 54.36 3huh s GLU 139 Cb -0.16 -3.75 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 3huh s GLU 139 CO -0.06 -0.59 0.15 0.42 -0.54 0.00 0.00 175.26 174.65 3huh s ILE 140 N 1.62 5.28 0.06 -3.70 1.01 0.21 -0.43 121.20 125.25 3huh s ILE 140 Ca 0.04 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.85 3huh s ILE 140 Cb -0.18 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3huh s ILE 140 CO 0.08 0.36 -0.05 -0.44 0.00 0.00 0.00 174.94 174.88 3huh s SER 141 N 1.01 0.76 -0.04 3.58 0.01 0.25 -1.06 113.70 118.22 3huh s SER 141 Ca 0.07 -0.80 0.05 0.00 1.31 0.00 0.00 55.95 56.58 3huh s SER 141 Cb -0.13 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 3huh s SER 141 CO 0.04 -0.40 -0.18 -1.58 0.41 0.00 0.00 173.24 171.53 3huh s GLN 142 N -2.86 1.75 0.00 12.44 0.74 -0.81 -0.12 119.66 130.81 3huh s GLN 142 Ca 0.00 -0.63 0.22 0.00 0.05 0.00 0.00 55.36 55.00 3huh s GLN 142 Cb -0.01 -1.55 1.32 0.00 1.10 0.00 0.00 33.01 33.87 3huh s GLN 142 CO -0.04 0.28 1.70 0.66 -0.55 0.00 0.00 175.29 177.34