#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1huh s TRP 5 N 0.00 -0.73 0.00 1.24 1.48 -1.26 -5.05 118.94 114.62 1huh s TRP 5 Ca 0.00 1.68 0.00 0.00 -1.06 0.00 0.00 56.10 56.72 1huh s TRP 5 Cb 0.00 0.37 0.00 0.00 -1.16 0.00 0.00 33.47 32.68 1huh s TRP 5 CO 0.00 -0.36 0.00 0.41 -4.06 0.00 0.00 176.95 172.94 1huh n GLY 6 N 2.94 3.71 0.00 3.67 0.00 -0.61 -5.02 105.19 109.89 1huh n GLY 6 Ca -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1huh n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1huh n TYR 7 N 0.00 0.00 -2.25 1.61 4.01 -1.26 -3.96 117.16 115.31 1huh n TYR 7 Ca 0.00 -0.05 -0.20 0.00 -0.16 0.00 0.00 57.90 57.49 1huh n TYR 7 Cb 0.00 -0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.15 1huh n TYR 7 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1huh n ASP 8 N -0.05 0.72 -0.03 7.72 8.00 -1.26 -4.66 116.55 126.99 1huh n ASP 8 Ca 0.00 -1.73 -0.12 0.00 0.71 0.00 0.00 54.79 53.66 1huh n ASP 8 Cb 0.10 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 1huh n ASP 8 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1huh h ASP 9 N -0.82 0.19 0.16 -2.24 5.19 -1.97 1.46 116.42 118.39 1huh h ASP 9 Ca -0.30 -0.23 -0.15 0.00 -0.62 0.00 0.00 57.03 55.74 1huh h ASP 9 Cb 0.98 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 1huh h ASP 9 CO 0.27 0.37 -0.54 0.50 -3.12 0.00 0.00 179.24 176.73 1huh h LYS 10 N 0.00 0.41 0.00 3.56 3.64 -2.01 -3.33 116.57 118.85 1huh h LYS 10 Ca 0.04 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1huh h LYS 10 Cb 0.25 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1huh h LYS 10 CO 0.00 0.85 -0.03 0.27 -2.27 0.00 0.00 179.45 178.27 1huh n ASN 11 N -3.95 1.54 -2.62 4.20 0.23 -1.21 -4.89 115.26 108.56 1huh n ASN 11 Ca -0.03 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 1huh n ASN 11 Cb 0.58 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1huh n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1huh n GLY 12 N -0.53 -2.23 0.32 4.83 0.00 0.50 -1.58 105.19 106.51 1huh n GLY 12 Ca 0.03 -1.47 0.16 0.00 0.00 0.00 0.00 46.02 44.74 1huh n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1huh h PRO 13 N 0.00 0.00 0.00 1.61 0.11 -1.80 -2.70 132.00 129.22 1huh h PRO 13 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1huh h PRO 13 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1huh h PRO 13 CO 0.00 0.00 -0.03 0.39 -0.21 0.00 0.00 178.00 178.15 1huh n GLU 14 N -3.90 0.14 -0.01 1.05 -0.58 -1.26 -3.42 120.64 112.65 1huh n GLU 14 Ca 0.01 0.11 0.06 0.00 -0.42 0.00 0.00 57.16 56.92 1huh n GLU 14 Cb 0.27 -1.65 -0.11 0.00 -0.57 0.00 0.00 31.44 29.38 1huh n GLU 14 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1huh n GLN 15 N -1.89 0.49 -0.14 3.49 1.13 -1.04 -4.69 117.38 114.74 1huh n GLN 15 Ca 0.06 -0.12 0.24 0.00 -1.94 0.00 0.00 57.00 55.24 1huh n GLN 15 Cb 0.39 -1.33 0.67 0.00 0.11 0.00 0.00 30.24 30.08 1huh n GLN 15 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 1huh h TRP 16 N 0.00 0.11 -0.12 1.08 6.55 -1.53 -0.77 115.95 121.27 1huh h TRP 16 Ca -0.02 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.72 1huh h TRP 16 Cb 0.69 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.94 1huh h TRP 16 CO 0.00 0.03 -0.39 0.66 -1.05 0.00 0.00 178.44 177.69 1huh h SER 17 N 0.08 0.28 -1.24 -3.49 4.64 -1.81 0.24 113.55 112.25 1huh h SER 17 Ca 0.38 -0.11 0.36 0.00 -0.47 0.00 0.00 61.79 61.95 1huh h SER 17 Cb 1.39 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 63.32 1huh h SER 17 CO -0.04 0.65 0.84 0.11 -0.87 0.00 0.00 176.83 177.53 1huh h LYS 18 N 0.22 0.14 0.00 4.77 1.57 -1.48 -2.98 116.57 118.81 1huh h LYS 18 Ca 0.02 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1huh h LYS 18 Cb 0.80 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1huh h LYS 18 CO 0.06 0.09 -1.72 1.28 -0.57 0.00 0.00 179.45 178.60 1huh n LEU 19 N -4.41 2.44 -3.99 2.94 4.77 -0.77 -4.81 117.00 113.17 1huh n LEU 19 Ca 0.30 -0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.90 1huh n LEU 19 Cb 1.23 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 41.89 1huh n LEU 19 CO 0.32 0.63 -0.01 -0.31 -1.33 0.00 0.00 177.39 176.69 1huh s TYR 20 N -2.25 3.44 0.54 -1.77 2.02 0.76 -4.95 117.35 115.14 1huh s TYR 20 Ca -0.15 -3.10 0.22 0.00 -0.37 0.00 0.00 57.07 53.68 1huh s TYR 20 Cb 0.04 -2.94 1.51 0.00 -0.40 0.00 0.00 41.96 40.17 1huh s TYR 20 CO 0.31 -0.71 2.18 -1.35 -1.57 0.00 0.00 175.55 174.42 1huh h PRO 21 N 6.23 0.00 0.00 -1.71 0.11 -1.77 -0.80 132.00 134.07 1huh h PRO 21 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1huh h PRO 21 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1huh h PRO 21 CO 0.73 0.02 0.00 0.97 -0.21 0.00 0.00 178.00 179.50 1huh h ILE 22 N 0.00 0.00 -0.83 4.15 6.09 -1.92 -1.44 117.51 123.56 1huh h ILE 22 Ca -0.00 -0.07 0.24 0.00 -1.37 0.00 0.00 64.86 63.66 1huh h ILE 22 Cb 0.03 0.65 -0.03 0.00 0.47 0.00 0.00 36.82 37.94 1huh h ILE 22 CO 0.00 0.00 0.66 0.00 -3.07 0.00 0.00 178.15 175.74 1huh h ALA 23 N 2.06 2.72 -0.47 0.18 0.00 -1.47 -1.41 119.26 120.88 1huh h ALA 23 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1huh h ALA 23 Cb 0.10 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1huh h ALA 23 CO 0.00 -1.09 0.08 0.09 0.00 0.00 0.00 179.25 178.34 1huh n ASN 24 N -4.07 4.05 -3.57 0.00 5.03 -0.54 -4.97 115.26 111.20 1huh n ASN 24 Ca 0.17 -3.24 -0.30 0.00 0.87 0.00 0.00 54.58 52.08 1huh n ASN 24 Cb 0.95 -0.64 0.25 0.00 -1.02 0.00 0.00 39.78 39.32 1huh n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1huh n GLY 25 N -0.45 -2.73 1.01 7.41 0.00 -0.53 -4.99 105.19 104.90 1huh n GLY 25 Ca 0.31 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.95 1huh n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1huh n ASN 26 N -4.85 3.11 -2.65 1.61 3.02 -1.26 -4.42 115.26 109.83 1huh n ASN 26 Ca 0.15 -1.99 -0.15 0.00 -0.03 0.00 0.00 54.58 52.56 1huh n ASN 26 Cb 0.59 -0.07 0.02 0.00 -0.61 0.00 0.00 39.78 39.71 1huh n ASN 26 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1huh n ASN 27 N 1.38 2.38 -4.91 6.41 3.02 -1.26 -4.68 115.26 117.60 1huh n ASN 27 Ca 0.16 -3.03 -0.27 0.00 -0.03 0.00 0.00 54.58 51.40 1huh n ASN 27 Cb 0.60 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 1huh n ASN 27 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1huh s GLN 28 N -3.20 3.59 0.14 3.52 -1.52 -1.26 -3.19 119.66 117.73 1huh s GLN 28 Ca 0.34 0.01 0.04 0.00 -1.95 0.00 0.00 55.36 53.80 1huh s GLN 28 Cb 0.43 -2.57 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 1huh s GLN 28 CO -0.04 0.09 -0.10 -1.12 -0.25 0.00 0.00 175.29 173.87 1huh s SER 29 N -3.56 1.71 0.79 5.90 0.01 -1.26 -4.60 113.70 112.68 1huh s SER 29 Ca 0.44 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.62 1huh s SER 29 Cb -0.10 -0.00 0.06 0.00 0.21 0.00 0.00 66.02 66.19 1huh s SER 29 CO 0.35 -0.32 1.09 -2.16 0.41 0.00 0.00 173.24 172.60 1huh s PRO 30 N -3.58 2.15 0.28 12.44 0.04 -1.26 -4.61 135.00 140.46 1huh s PRO 30 Ca 0.14 0.82 0.11 0.00 0.04 0.00 0.00 61.00 62.11 1huh s PRO 30 Cb 0.02 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1huh s PRO 30 CO 0.00 -1.62 -0.11 0.14 0.04 0.00 0.00 177.00 175.45 1huh s VAL 31 N -3.05 2.86 0.09 -0.36 -7.23 -1.26 -0.78 120.40 110.66 1huh s VAL 31 Ca 0.61 -2.20 -0.25 0.00 -1.81 0.00 0.00 61.98 58.33 1huh s VAL 31 Cb -0.15 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 1huh s VAL 31 CO 0.55 -0.38 0.75 -0.62 -0.31 0.00 0.00 175.10 175.09 1huh s ASP 32 N -3.58 7.26 -0.34 4.85 2.15 -1.26 -3.17 116.67 122.58 1huh s ASP 32 Ca 0.31 1.50 -0.11 0.00 0.43 0.00 0.00 52.55 54.68 1huh s ASP 32 Cb -0.05 -2.47 -0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1huh s ASP 32 CO 0.17 0.11 0.20 -0.63 -0.17 0.00 0.00 175.17 174.85 1huh s ILE 33 N -0.56 4.85 -0.52 4.11 1.01 0.41 -4.93 121.20 125.57 1huh s ILE 33 Ca 0.36 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.38 1huh s ILE 33 Cb -0.21 -3.53 0.06 0.00 0.01 0.00 0.00 42.46 38.79 1huh s ILE 33 CO 0.24 -0.03 0.65 -0.54 0.00 0.00 0.00 174.94 175.25 1huh s LYS 34 N 1.64 3.12 0.44 2.79 1.02 -1.26 0.13 119.74 127.62 1huh s LYS 34 Ca 0.05 -0.94 0.13 0.00 0.02 0.00 0.00 55.97 55.23 1huh s LYS 34 Cb -0.18 -4.12 1.02 0.00 -0.52 0.00 0.00 37.83 34.03 1huh s LYS 34 CO 0.08 -1.28 2.00 1.79 -0.92 0.00 0.00 175.35 177.02 1huh h THR 35 N 5.88 0.93 -0.01 2.17 1.35 -1.97 0.10 112.91 121.37 1huh h THR 35 Ca -0.28 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1huh h THR 35 Cb 1.09 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1huh h THR 35 CO 0.99 0.07 -0.09 -1.54 -0.25 0.00 0.00 175.52 174.71 1huh n SER 36 N -4.47 0.73 -0.13 5.36 3.41 -1.26 -3.24 113.62 114.02 1huh n SER 36 Ca 0.08 -0.92 0.01 0.00 -0.26 0.00 0.00 58.87 57.79 1huh n SER 36 Cb 0.31 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1huh n SER 36 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1huh n GLU 37 N -0.64 0.97 -1.78 4.33 1.02 0.34 -5.03 120.64 119.86 1huh n GLU 37 Ca 0.17 -1.09 -0.32 0.00 -0.02 0.00 0.00 57.16 55.90 1huh n GLU 37 Cb 0.28 -1.06 0.03 0.00 -0.02 0.00 0.00 31.44 30.68 1huh n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1huh s THR 38 N -0.57 4.01 -0.19 2.62 -4.23 -1.06 -4.81 115.64 111.40 1huh s THR 38 Ca 0.04 0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1huh s THR 38 Cb 0.02 -3.43 0.06 0.00 1.34 0.00 0.00 72.50 70.50 1huh s THR 38 CO 0.03 -0.74 0.01 -0.75 -0.54 0.00 0.00 174.62 172.63 1huh s LYS 39 N -4.68 0.92 -0.06 3.99 2.20 -0.70 -4.92 119.74 116.48 1huh s LYS 39 Ca 0.60 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 55.39 1huh s LYS 39 Cb -0.14 -2.15 -0.07 0.00 -1.51 0.00 0.00 37.83 33.95 1huh s LYS 39 CO 0.48 -0.60 1.93 -1.58 -0.36 0.00 0.00 175.35 175.22 1huh s HIS 40 N 1.75 1.46 -0.23 4.03 5.65 -1.26 -1.96 115.29 124.73 1huh s HIS 40 Ca -0.02 -0.04 -0.02 0.00 0.25 0.00 0.00 55.06 55.23 1huh s HIS 40 Cb -0.17 -4.10 0.01 0.00 -1.18 0.00 0.00 32.58 27.14 1huh s HIS 40 CO -0.07 -4.70 -0.08 0.34 -0.65 0.00 0.00 174.74 169.58 1huh s ASP 41 N 5.03 4.12 0.00 9.88 -1.08 -1.01 -4.94 116.67 128.67 1huh s ASP 41 Ca 0.87 -0.65 0.29 0.00 -0.52 0.00 0.00 52.55 52.54 1huh s ASP 41 Cb -0.37 -1.66 1.66 0.00 -1.46 0.00 0.00 42.92 41.08 1huh s ASP 41 CO 0.37 -0.07 2.05 0.35 0.52 0.00 0.00 175.17 178.39 1huh n THR 42 N 4.71 0.02 0.32 1.71 -2.24 -1.26 -3.35 114.28 114.20 1huh n THR 42 Ca -0.18 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1huh n THR 42 Cb 0.49 -0.55 0.07 0.00 -2.10 0.00 0.00 70.33 68.24 1huh n THR 42 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1huh h SER 43 N 0.00 0.00 -3.81 3.42 4.64 -1.97 -3.46 113.55 112.37 1huh h SER 43 Ca 0.00 -0.11 -0.55 0.00 -0.47 0.00 0.00 61.79 60.66 1huh h SER 43 Cb 0.07 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.28 1huh h SER 43 CO 0.00 0.06 0.67 0.18 -0.87 0.00 0.00 176.83 176.87 1huh n LEU 44 N -2.42 4.65 -4.74 5.97 4.77 -1.21 -4.93 117.00 119.08 1huh n LEU 44 Ca 0.01 1.17 -0.22 0.00 -0.03 0.00 0.00 56.01 56.94 1huh n LEU 44 Cb 0.50 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 1huh n LEU 44 CO 0.38 -0.16 -0.22 -0.54 -1.33 0.00 0.00 177.39 175.52 1huh s LYS 45 N -2.23 2.54 0.35 3.23 1.02 -0.66 -4.94 119.74 119.05 1huh s LYS 45 Ca 0.58 -1.35 -0.29 0.00 0.02 0.00 0.00 55.97 54.94 1huh s LYS 45 Cb -0.48 -2.31 -0.11 0.00 -0.52 0.00 0.00 37.83 34.41 1huh s LYS 45 CO 0.60 0.27 1.52 -2.30 -0.92 0.00 0.00 175.35 174.52 1huh n PRO 46 N -1.10 2.67 -2.60 -1.68 -0.02 -1.26 -0.65 135.00 130.35 1huh n PRO 46 Ca -0.05 0.94 -0.39 0.00 -2.02 0.00 0.00 63.50 61.98 1huh n PRO 46 Cb 0.59 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1huh n PRO 46 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1huh s ILE 47 N -0.76 3.80 -0.14 4.25 -4.36 -1.26 -2.85 121.20 119.87 1huh s ILE 47 Ca 0.57 1.62 0.00 0.00 -0.26 0.00 0.00 60.65 62.58 1huh s ILE 47 Cb -0.48 -3.96 0.02 0.00 1.25 0.00 0.00 42.46 39.29 1huh s ILE 47 CO 0.59 0.25 -0.13 -0.94 0.24 0.00 0.00 174.94 174.95 1huh s SER 48 N -1.26 2.60 0.02 4.36 1.04 0.37 -4.91 113.70 115.91 1huh s SER 48 Ca 0.49 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1huh s SER 48 Cb -0.26 -1.12 -0.04 0.00 0.10 0.00 0.00 66.02 64.70 1huh s SER 48 CO 0.32 -0.07 0.04 0.68 0.98 0.00 0.00 173.24 175.20 1huh s VAL 49 N 1.52 4.40 -0.32 5.02 -7.23 -1.26 -0.47 120.40 122.06 1huh s VAL 49 Ca 0.05 -0.62 -0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1huh s VAL 49 Cb -0.13 -3.03 0.13 0.00 0.56 0.00 0.00 36.38 33.92 1huh s VAL 49 CO -0.10 0.29 0.24 -0.55 -0.31 0.00 0.00 175.10 174.67 1huh s SER 50 N -1.87 2.44 0.13 4.85 0.15 -0.02 -5.02 113.70 114.36 1huh s SER 50 Ca 0.23 -1.49 0.04 0.00 0.70 0.00 0.00 55.95 55.44 1huh s SER 50 Cb -0.12 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 1huh s SER 50 CO 0.15 -0.35 0.11 -0.31 1.20 0.00 0.00 173.24 174.04 1huh s TYR 51 N 1.72 3.17 -0.24 3.44 2.02 -1.26 -0.47 117.35 125.73 1huh s TYR 51 Ca 0.13 0.03 -0.04 0.00 -0.37 0.00 0.00 57.07 56.82 1huh s TYR 51 Cb -0.17 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 1huh s TYR 51 CO -0.18 0.52 -0.03 1.21 -1.57 0.00 0.00 175.55 175.50 1huh s ASN 52 N -2.79 4.44 0.52 2.29 3.84 -1.23 -4.95 114.94 117.06 1huh s ASN 52 Ca 0.30 -0.59 0.34 0.00 0.21 0.00 0.00 52.86 53.12 1huh s ASN 52 Cb -0.11 -1.74 1.64 0.00 -0.55 0.00 0.00 41.25 40.49 1huh s ASN 52 CO 0.23 -0.08 2.03 1.55 -2.79 0.00 0.00 177.10 178.04 1huh h PRO 53 N 8.10 0.00 0.00 0.43 0.13 -1.94 -1.10 132.00 137.62 1huh h PRO 53 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1huh h PRO 53 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1huh h PRO 53 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 1huh n ALA 54 N -2.00 2.00 0.33 -0.56 0.00 -1.26 -0.62 120.51 118.41 1huh n ALA 54 Ca -0.01 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1huh n ALA 54 Cb 0.18 -1.42 0.28 0.00 0.00 0.00 0.00 19.45 18.49 1huh n ALA 54 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1huh h THR 55 N 0.00 0.00 -3.30 0.00 1.35 -1.52 -3.44 112.91 105.99 1huh h THR 55 Ca 0.00 -0.81 -0.57 0.00 -0.55 0.00 0.00 66.41 64.48 1huh h THR 55 Cb 0.54 1.80 0.13 0.00 -1.73 0.00 0.00 68.15 68.89 1huh h THR 55 CO 0.00 0.00 0.29 0.00 -0.25 0.00 0.00 175.52 175.56 1huh n ALA 56 N -2.01 0.61 -0.92 6.62 0.00 -1.05 -1.03 120.51 122.73 1huh n ALA 56 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1huh n ALA 56 Cb 0.48 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1huh n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1huh n LYS 57 N -0.04 0.00 -4.21 0.00 4.81 0.25 -4.49 118.16 114.48 1huh n LYS 57 Ca 0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.41 1huh n LYS 57 Cb 0.40 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.35 1huh n LYS 57 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1huh s GLU 58 N -0.08 1.09 -0.16 1.64 -1.05 -0.95 -0.08 118.70 119.12 1huh s GLU 58 Ca 0.00 -1.54 0.02 0.00 -0.15 0.00 0.00 54.97 53.30 1huh s GLU 58 Cb 0.00 -0.02 0.02 0.00 -0.44 0.00 0.00 34.13 33.68 1huh s GLU 58 CO 0.00 -0.23 -0.21 -1.50 0.95 0.00 0.00 175.26 174.27 1huh s ILE 59 N -3.87 2.05 -0.01 1.83 2.07 -0.76 0.16 121.20 122.66 1huh s ILE 59 Ca 0.28 -0.95 0.02 0.00 -1.41 0.00 0.00 60.65 58.58 1huh s ILE 59 Cb 0.07 -1.83 -0.00 0.00 0.13 0.00 0.00 42.46 40.82 1huh s ILE 59 CO 0.05 0.54 -0.07 -0.51 -1.91 0.00 0.00 174.94 173.05 1huh s ILE 60 N 1.07 0.54 -0.36 2.00 2.07 0.32 -1.95 121.20 124.89 1huh s ILE 60 Ca -0.01 -0.27 -0.27 0.00 -1.41 0.00 0.00 60.65 58.69 1huh s ILE 60 Cb -0.14 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 42.00 1huh s ILE 60 CO -0.08 0.16 1.00 0.21 -1.91 0.00 0.00 174.94 174.33 1huh s ASN 61 N -0.02 6.77 -0.17 4.50 3.84 -0.77 -0.04 114.94 129.05 1huh s ASN 61 Ca 0.01 0.76 0.16 0.00 0.21 0.00 0.00 52.86 53.99 1huh s ASN 61 Cb -0.04 -2.50 0.65 0.00 -0.55 0.00 0.00 41.25 38.80 1huh s ASN 61 CO -0.00 -0.90 1.56 1.33 -2.79 0.00 0.00 177.10 176.30 1huh n VAL 62 N 6.01 2.28 0.00 -5.21 0.24 -0.91 -0.71 118.33 120.03 1huh n VAL 62 Ca 0.09 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 60.86 1huh n VAL 62 Cb 0.48 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1huh n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1huh n GLY 63 N 0.23 1.60 0.16 7.63 0.00 -1.26 -4.30 105.19 109.25 1huh n GLY 63 Ca 0.24 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1huh n GLY 63 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1huh h HIS 64 N 0.00 0.00 -2.01 1.61 2.07 -1.92 -3.37 115.15 111.53 1huh h HIS 64 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1huh h HIS 64 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1huh h HIS 64 CO 0.00 0.00 0.00 0.45 -3.07 0.00 0.00 177.93 175.31 1huh n SER 65 N -2.85 -0.02 -4.25 3.10 2.88 -1.26 -4.73 113.62 106.50 1huh n SER 65 Ca 0.02 -1.01 -0.17 0.00 -1.33 0.00 0.00 58.87 56.37 1huh n SER 65 Cb 0.54 0.03 -0.11 0.00 -0.75 0.00 0.00 64.21 63.92 1huh n SER 65 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1huh s PHE 66 N -8.81 1.39 -0.03 0.66 -0.12 -1.26 -2.13 117.98 107.67 1huh s PHE 66 Ca 0.00 -0.58 0.03 0.00 -0.05 0.00 0.00 56.93 56.33 1huh s PHE 66 Cb -0.00 -0.72 0.00 0.00 -0.63 0.00 0.00 43.02 41.67 1huh s PHE 66 CO 0.00 0.14 -0.10 -1.01 -0.05 0.00 0.00 175.22 174.20 1huh s HIS 67 N -2.34 1.09 -0.47 3.49 3.76 0.94 -4.43 115.29 117.33 1huh s HIS 67 Ca 0.10 -0.28 -0.13 0.00 -0.15 0.00 0.00 55.06 54.60 1huh s HIS 67 Cb -0.04 -0.76 0.09 0.00 1.11 0.00 0.00 32.58 32.98 1huh s HIS 67 CO 0.03 -0.11 0.37 0.08 -0.85 0.00 0.00 174.74 174.26 1huh s VAL 68 N 0.16 4.88 0.11 -0.90 1.01 -0.32 0.12 120.40 125.46 1huh s VAL 68 Ca -0.03 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.61 1huh s VAL 68 Cb -0.09 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1huh s VAL 68 CO 0.01 -0.62 0.36 0.20 0.00 0.00 0.00 175.10 175.04 1huh s ASN 69 N 2.65 6.51 -0.01 3.32 0.01 0.41 -1.74 114.94 126.09 1huh s ASN 69 Ca 0.04 0.61 0.08 0.00 -0.71 0.00 0.00 52.86 52.87 1huh s ASN 69 Cb -0.25 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 1huh s ASN 69 CO 0.04 0.11 -0.25 -0.36 -1.51 0.00 0.00 177.10 175.13 1huh s PHE 70 N -1.56 2.37 -0.02 2.20 0.40 -0.94 -1.14 117.98 119.28 1huh s PHE 70 Ca 0.37 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 56.00 1huh s PHE 70 Cb -0.13 -1.49 -0.07 0.00 0.51 0.00 0.00 43.02 41.85 1huh s PHE 70 CO 0.22 0.03 1.81 -1.21 0.70 0.00 0.00 175.22 176.77 1huh s GLU 71 N -0.78 4.11 -0.53 0.44 2.02 -0.19 -4.74 118.70 119.03 1huh s GLU 71 Ca 0.11 2.36 0.07 0.00 0.02 0.00 0.00 54.97 57.52 1huh s GLU 71 Cb -0.10 -4.08 0.34 0.00 0.10 0.00 0.00 34.13 30.38 1huh s GLU 71 CO -0.00 -0.95 0.88 -0.40 0.02 0.00 0.00 175.26 174.80 1huh n ASP 72 N 7.52 3.49 -0.31 -0.19 5.75 -1.26 -4.74 116.55 126.80 1huh n ASP 72 Ca 0.19 -3.49 0.04 0.00 -0.01 0.00 0.00 54.79 51.52 1huh n ASP 72 Cb 0.42 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.96 1huh n ASP 72 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1huh n ASN 73 N -0.03 1.57 -4.18 -1.12 6.94 -1.26 -5.02 115.26 112.16 1huh n ASN 73 Ca 0.29 -1.29 -0.15 0.00 -0.02 0.00 0.00 54.58 53.42 1huh n ASN 73 Cb 0.46 0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.90 1huh n ASN 73 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1huh s ASP 74 N -0.86 0.79 -0.35 0.53 1.11 -1.26 -5.05 116.67 111.57 1huh s ASP 74 Ca 0.09 -1.43 0.03 0.00 0.18 0.00 0.00 52.55 51.43 1huh s ASP 74 Cb 0.07 0.31 0.52 0.00 1.07 0.00 0.00 42.92 44.89 1huh s ASP 74 CO 0.14 -0.81 1.72 0.59 1.18 0.00 0.00 175.17 177.99 1huh n ASN 75 N -0.48 3.67 -0.04 0.27 4.13 -1.26 -4.53 115.26 117.02 1huh n ASN 75 Ca 0.01 -3.26 -0.00 0.00 1.68 0.00 0.00 54.58 53.01 1huh n ASN 75 Cb 0.66 -0.77 0.28 0.00 -1.54 0.00 0.00 39.78 38.41 1huh n ASN 75 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 1huh h ARG 76 N 0.80 0.61 -4.34 3.52 3.08 -1.93 -3.40 114.38 112.72 1huh h ARG 76 Ca 0.50 -0.12 -0.61 0.00 0.07 0.00 0.00 59.98 59.82 1huh h ARG 76 Cb 2.43 -0.10 -0.38 0.00 0.08 0.00 0.00 29.97 32.00 1huh h ARG 76 CO 0.87 0.59 -0.79 -1.12 -1.07 0.00 0.00 179.97 178.45 1huh s SER 77 N -6.68 3.80 0.17 7.04 0.01 -1.26 -3.50 113.70 113.29 1huh s SER 77 Ca -0.08 -1.15 0.01 0.00 1.31 0.00 0.00 55.95 56.04 1huh s SER 77 Cb 0.16 -1.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.18 1huh s SER 77 CO 0.77 -0.23 0.02 0.68 0.41 0.00 0.00 173.24 174.89 1huh s VAL 78 N 1.41 0.54 -0.06 3.43 -7.23 0.38 -2.12 120.40 116.75 1huh s VAL 78 Ca -0.06 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1huh s VAL 78 Cb -0.19 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1huh s VAL 78 CO -0.06 -0.42 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.92 1huh s LEU 79 N -3.16 1.84 0.14 1.32 2.96 0.88 -0.84 118.68 121.82 1huh s LEU 79 Ca 0.26 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1huh s LEU 79 Cb 0.07 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 1huh s LEU 79 CO 0.05 0.11 0.16 -0.54 -1.32 0.00 0.00 176.35 174.80 1huh s LYS 80 N 0.33 1.00 0.50 1.98 1.02 0.38 -0.74 119.74 124.20 1huh s LYS 80 Ca -0.10 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1huh s LYS 80 Cb -0.14 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1huh s LYS 80 CO 0.04 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 1huh n GLY 81 N -0.13 -1.39 7.00 -3.33 0.00 -1.26 0.14 105.19 106.23 1huh n GLY 81 Ca -0.08 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1huh n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1huh n GLY 82 N 0.00 3.27 0.19 -0.02 0.00 0.17 -1.76 105.19 107.06 1huh n GLY 82 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.02 1huh n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1huh h PRO 83 N 0.00 0.00 -6.48 1.61 0.13 -1.92 -1.75 132.00 123.59 1huh h PRO 83 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1huh h PRO 83 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1huh h PRO 83 CO 0.00 0.17 0.16 -0.06 -0.23 0.00 0.00 178.00 178.03 1huh s PHE 84 N -3.13 3.89 -0.30 1.56 0.08 -0.72 -4.97 117.98 114.39 1huh s PHE 84 Ca 0.06 1.59 0.22 0.00 0.12 0.00 0.00 56.93 58.92 1huh s PHE 84 Cb 0.06 -2.74 -0.13 0.00 -0.57 0.00 0.00 43.02 39.64 1huh s PHE 84 CO 0.69 0.52 0.82 -1.13 -0.10 0.00 0.00 175.22 176.02 1huh n SER 85 N 1.65 0.47 -2.75 1.36 3.41 -1.26 -4.09 113.62 112.41 1huh n SER 85 Ca -0.06 -0.02 -0.07 0.00 -0.26 0.00 0.00 58.87 58.46 1huh n SER 85 Cb 0.49 1.16 -0.00 0.00 -0.26 0.00 0.00 64.21 65.60 1huh n SER 85 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1huh n ASP 86 N -2.25 1.69 -4.56 4.04 5.68 -1.26 -5.03 116.55 114.86 1huh n ASP 86 Ca -0.01 -1.53 -0.32 0.00 -0.50 0.00 0.00 54.79 52.43 1huh n ASP 86 Cb 0.51 0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 40.40 1huh n ASP 86 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1huh s SER 87 N -1.84 4.43 -0.02 -1.12 1.04 -1.26 -4.66 113.70 110.28 1huh s SER 87 Ca 0.06 -0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1huh s SER 87 Cb -0.00 -0.99 -0.03 0.00 0.10 0.00 0.00 66.02 65.10 1huh s SER 87 CO 0.04 0.29 -0.10 -0.31 0.98 0.00 0.00 173.24 174.14 1huh s TYR 88 N -0.94 2.82 -0.17 5.02 1.51 0.08 -4.03 117.35 121.64 1huh s TYR 88 Ca 0.16 -0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 55.97 1huh s TYR 88 Cb -0.11 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 1huh s TYR 88 CO 0.06 0.31 0.44 0.50 -1.11 0.00 0.00 175.55 175.75 1huh s ARG 89 N -1.13 4.25 0.22 -0.62 3.52 -0.65 -0.08 118.95 124.45 1huh s ARG 89 Ca 0.14 0.32 -0.30 0.00 -0.13 0.00 0.00 55.73 55.76 1huh s ARG 89 Cb -0.11 -3.49 -0.10 0.00 -1.56 0.00 0.00 34.95 29.69 1huh s ARG 89 CO 0.04 0.04 1.41 -1.17 -0.81 0.00 0.00 175.30 174.81 1huh s LEU 90 N 1.04 4.39 0.00 -0.88 2.96 -0.90 -1.75 118.68 123.53 1huh s LEU 90 Ca 0.22 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 1huh s LEU 90 Cb -0.15 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1huh s LEU 90 CO 0.09 -0.66 0.00 2.22 -1.32 0.00 0.00 176.35 176.67 1huh n PHE 91 N 2.69 0.00 -3.58 5.38 -1.74 -0.61 -4.52 117.46 115.08 1huh n PHE 91 Ca 0.08 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.91 1huh n PHE 91 Cb 0.41 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 1huh n PHE 91 CO 0.00 0.00 0.00 -1.14 -0.56 0.00 0.00 176.76 175.06 1huh s GLN 92 N -1.00 0.41 0.06 3.97 0.74 -1.20 -2.23 119.66 120.41 1huh s GLN 92 Ca 0.00 -0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.27 1huh s GLN 92 Cb 0.00 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.26 1huh s GLN 92 CO 0.00 -0.18 -0.05 -0.59 -0.55 0.00 0.00 175.29 173.92 1huh s PHE 93 N -2.56 0.64 0.30 1.67 -0.12 -0.71 -2.04 117.98 115.16 1huh s PHE 93 Ca 0.09 -0.82 -0.19 0.00 -0.05 0.00 0.00 56.93 55.95 1huh s PHE 93 Cb -0.01 -0.41 0.05 0.00 -0.63 0.00 0.00 43.02 42.02 1huh s PHE 93 CO -0.05 -0.21 0.82 -3.38 -0.05 0.00 0.00 175.22 172.34 1huh s HIS 94 N -2.94 -0.02 0.21 3.49 -3.43 -1.07 -1.17 115.29 110.35 1huh s HIS 94 Ca 0.02 -0.50 0.05 0.00 -0.80 0.00 0.00 55.06 53.82 1huh s HIS 94 Cb 0.01 0.75 -0.05 0.00 -1.43 0.00 0.00 32.58 31.86 1huh s HIS 94 CO -0.05 -1.29 -0.06 -0.06 -2.00 0.00 0.00 174.74 171.29 1huh s PHE 95 N -2.97 1.53 -0.06 0.38 0.40 -1.26 -1.97 117.98 114.03 1huh s PHE 95 Ca 0.14 -0.81 0.02 0.00 -0.60 0.00 0.00 56.93 55.69 1huh s PHE 95 Cb -0.05 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.66 1huh s PHE 95 CO 0.08 0.08 -0.11 -1.01 0.70 0.00 0.00 175.22 174.96 1huh s HIS 96 N -3.29 1.36 0.26 0.36 3.76 0.12 -4.85 115.29 113.01 1huh s HIS 96 Ca 0.24 -0.47 -0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1huh s HIS 96 Cb 0.04 -1.00 -0.03 0.00 1.11 0.00 0.00 32.58 32.70 1huh s HIS 96 CO 0.06 -0.25 0.26 1.67 -0.85 0.00 0.00 174.74 175.64 1huh s TRP 97 N 0.62 1.24 0.43 1.40 -2.14 -1.22 0.03 118.94 119.30 1huh s TRP 97 Ca -0.13 -1.38 0.03 0.00 2.66 0.00 0.00 56.10 57.28 1huh s TRP 97 Cb -0.15 -0.46 -0.02 0.00 -3.10 0.00 0.00 33.47 29.74 1huh s TRP 97 CO 0.03 -0.82 0.10 0.20 -2.66 0.00 0.00 176.95 173.80 1huh s GLY 98 N -3.22 2.69 0.00 3.67 0.00 -1.26 -2.09 107.32 107.12 1huh s GLY 98 Ca 0.37 -1.08 0.21 0.00 0.00 0.00 0.00 44.72 44.21 1huh s GLY 98 CO 0.18 -1.91 1.67 -1.14 0.00 0.00 0.00 173.10 171.90 1huh n SER 99 N -1.29 0.00 -4.43 1.64 3.41 -1.23 -4.66 113.62 107.07 1huh n SER 99 Ca -0.09 -0.02 -0.29 0.00 -0.26 0.00 0.00 58.87 58.21 1huh n SER 99 Cb 0.65 -0.28 -0.12 0.00 -0.26 0.00 0.00 64.21 64.20 1huh n SER 99 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1huh s THR 100 N -2.57 2.51 -1.20 6.66 -4.23 -1.26 -5.02 115.64 110.54 1huh s THR 100 Ca 0.20 -1.65 0.19 0.00 -1.18 0.00 0.00 61.69 59.26 1huh s THR 100 Cb 0.14 -2.13 0.24 0.00 1.34 0.00 0.00 72.50 72.10 1huh s THR 100 CO 0.32 0.10 1.62 0.59 -0.54 0.00 0.00 174.62 176.71 1huh n ASN 101 N 0.87 0.00 -0.00 3.99 3.02 -1.26 -2.81 115.26 119.07 1huh n ASN 101 Ca -0.17 0.27 0.05 0.00 -0.03 0.00 0.00 54.58 54.70 1huh n ASN 101 Cb 0.53 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 1huh n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1huh n GLU 102 N -1.40 2.89 -3.41 3.52 4.71 -1.26 -4.54 120.64 121.15 1huh n GLU 102 Ca 0.07 -0.02 -0.25 0.00 -0.01 0.00 0.00 57.16 56.94 1huh n GLU 102 Cb 0.19 -1.02 -0.10 0.00 -1.01 0.00 0.00 31.44 29.50 1huh n GLU 102 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1huh s HIS 103 N -2.11 0.50 0.00 -0.32 3.76 -1.12 -4.11 115.29 111.89 1huh s HIS 103 Ca 0.02 -1.55 0.00 0.00 -0.15 0.00 0.00 55.06 53.38 1huh s HIS 103 Cb 0.07 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.99 1huh s HIS 103 CO 0.39 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.82 1huh n GLY 104 N 3.85 1.00 3.79 -2.22 0.00 -0.08 -4.14 105.19 107.39 1huh n GLY 104 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1huh n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1huh s SER 105 N 0.00 5.09 -0.15 1.61 1.04 0.19 -3.44 113.70 118.04 1huh s SER 105 Ca 0.00 1.80 -0.11 0.00 0.48 0.00 0.00 55.95 58.13 1huh s SER 105 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 1huh s SER 105 CO 0.00 -1.64 -0.10 -0.33 0.98 0.00 0.00 173.24 172.15 1huh h GLU 106 N -0.50 0.00 -7.07 4.02 5.08 -1.88 -3.45 114.58 110.78 1huh h GLU 106 Ca -0.45 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.40 1huh h GLU 106 Cb 1.23 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.56 1huh h GLU 106 CO 0.54 0.16 0.47 -1.01 -1.00 0.00 0.00 179.01 178.17 1huh s HIS 107 N -2.22 2.60 0.05 4.33 3.76 -1.26 -4.66 115.29 117.89 1huh s HIS 107 Ca -0.16 1.52 0.06 0.00 -0.15 0.00 0.00 55.06 56.33 1huh s HIS 107 Cb 0.02 -3.40 -0.02 0.00 1.11 0.00 0.00 32.58 30.29 1huh s HIS 107 CO 0.27 -1.84 -0.17 0.95 -0.85 0.00 0.00 174.74 173.10 1huh s THR 108 N -1.64 1.32 -0.20 1.30 -4.23 -1.19 -4.53 115.64 106.46 1huh s THR 108 Ca 0.72 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1huh s THR 108 Cb -0.28 -1.18 0.02 0.00 1.34 0.00 0.00 72.50 72.40 1huh s THR 108 CO 0.32 0.04 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.60 1huh s VAL 109 N -0.89 2.36 -1.50 2.29 1.01 -0.02 0.16 120.40 123.81 1huh s VAL 109 Ca 0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1huh s VAL 109 Cb -0.08 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.29 1huh s VAL 109 CO 0.02 0.41 0.99 0.47 0.00 0.00 0.00 175.10 176.99 1huh n ASP 110 N 4.63 -4.78 0.00 3.32 8.00 0.36 -0.21 116.55 127.87 1huh n ASP 110 Ca -0.19 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1huh n ASP 110 Cb 0.49 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 1huh n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1huh n GLY 111 N -1.73 1.13 3.63 0.44 0.00 -1.26 -5.01 105.19 102.39 1huh n GLY 111 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1huh n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1huh s VAL 112 N -3.40 5.16 -0.17 1.61 1.01 0.70 -5.07 120.40 120.23 1huh s VAL 112 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1huh s VAL 112 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1huh s VAL 112 CO 0.00 0.36 0.61 -0.75 0.00 0.00 0.00 175.10 175.32 1huh s LYS 113 N 1.00 4.25 0.56 2.72 2.20 -1.26 -0.84 119.74 128.37 1huh s LYS 113 Ca 0.07 0.60 0.01 0.00 -0.36 0.00 0.00 55.97 56.29 1huh s LYS 113 Cb -0.13 -3.55 0.11 0.00 -1.51 0.00 0.00 37.83 32.75 1huh s LYS 113 CO 0.04 -0.15 0.77 0.66 -0.36 0.00 0.00 175.35 176.31 1huh n TYR 114 N 4.72 -2.91 0.08 4.03 4.02 -1.26 -4.81 117.16 121.03 1huh n TYR 114 Ca -0.02 -1.47 -0.05 0.00 -0.01 0.00 0.00 57.90 56.35 1huh n TYR 114 Cb 0.50 -0.56 -0.07 0.00 -0.02 0.00 0.00 39.34 39.19 1huh n TYR 114 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1huh h SER 115 N -0.37 0.00 -5.00 7.72 0.02 -1.49 0.11 113.55 114.53 1huh h SER 115 Ca -0.26 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1huh h SER 115 Cb 0.98 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.41 1huh h SER 115 CO 0.29 0.87 0.43 0.00 -1.14 0.00 0.00 176.83 177.27 1huh s ALA 116 N -2.80 -1.67 -0.06 3.77 0.00 -1.15 -3.02 121.76 116.83 1huh s ALA 116 Ca 0.02 0.45 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1huh s ALA 116 Cb 0.10 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.87 1huh s ALA 116 CO 0.80 -0.88 0.14 -2.00 0.00 0.00 0.00 175.76 173.82 1huh s GLU 117 N -3.35 0.08 0.00 0.00 2.12 0.10 -0.70 118.70 116.96 1huh s GLU 117 Ca 0.08 0.38 -0.09 0.00 0.36 0.00 0.00 54.97 55.70 1huh s GLU 117 Cb -0.02 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.13 1huh s GLU 117 CO -0.03 -0.18 0.30 -1.17 -0.54 0.00 0.00 175.26 173.64 1huh s LEU 118 N 1.28 4.39 -0.09 2.70 2.96 0.05 0.13 118.68 130.11 1huh s LEU 118 Ca -0.08 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1huh s LEU 118 Cb -0.12 -2.63 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1huh s LEU 118 CO -0.06 0.27 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.13 1huh s HIS 119 N -1.24 1.53 -0.27 5.38 3.76 -0.83 -0.80 115.29 122.82 1huh s HIS 119 Ca 0.26 -0.65 0.02 0.00 -0.15 0.00 0.00 55.06 54.53 1huh s HIS 119 Cb -0.14 -1.17 0.06 0.00 1.11 0.00 0.00 32.58 32.44 1huh s HIS 119 CO 0.14 -0.38 -0.08 0.08 -0.85 0.00 0.00 174.74 173.66 1huh s VAL 120 N 1.02 2.41 -0.11 -0.90 1.01 -0.49 -2.58 120.40 120.76 1huh s VAL 120 Ca -0.08 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.31 1huh s VAL 120 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1huh s VAL 120 CO -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 175.10 175.08 1huh s ALA 121 N 1.15 3.41 0.12 5.51 0.00 -0.86 -0.01 121.76 131.07 1huh s ALA 121 Ca -0.08 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1huh s ALA 121 Cb -0.20 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1huh s ALA 121 CO -0.04 0.53 0.02 -1.01 0.00 0.00 0.00 175.76 175.26 1huh s HIS 122 N -0.72 0.85 0.09 0.00 3.76 -0.11 -1.57 115.29 117.59 1huh s HIS 122 Ca 0.12 -1.14 0.04 0.00 -0.15 0.00 0.00 55.06 53.92 1huh s HIS 122 Cb -0.12 -0.50 -0.03 0.00 1.11 0.00 0.00 32.58 33.04 1huh s HIS 122 CO 0.02 -0.41 -0.10 1.67 -0.85 0.00 0.00 174.74 175.07 1huh s TRP 123 N -3.93 1.03 -0.77 1.40 1.48 -0.72 -1.24 118.94 116.19 1huh s TRP 123 Ca 0.20 -0.61 -0.26 0.00 -1.06 0.00 0.00 56.10 54.37 1huh s TRP 123 Cb 0.07 -0.57 0.01 0.00 -1.16 0.00 0.00 33.47 31.82 1huh s TRP 123 CO -0.01 -0.01 1.52 1.21 -4.06 0.00 0.00 176.95 175.61 1huh s ASN 124 N -2.23 5.89 0.37 -2.66 3.84 0.56 -1.64 114.94 119.07 1huh s ASN 124 Ca 0.02 -0.45 0.20 0.00 0.21 0.00 0.00 52.86 52.84 1huh s ASN 124 Cb -0.05 -2.55 0.44 0.00 -0.55 0.00 0.00 41.25 38.54 1huh s ASN 124 CO 0.00 -2.01 1.62 0.77 -2.79 0.00 0.00 177.10 174.70 1huh h SER 125 N 11.38 0.00 -0.10 -4.21 4.64 -1.81 -2.36 113.55 121.08 1huh h SER 125 Ca -0.15 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.13 1huh h SER 125 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1huh h SER 125 CO 1.28 0.30 -0.04 0.00 -0.87 0.00 0.00 176.83 177.50 1huh h ALA 126 N 1.70 1.50 0.00 5.18 0.00 -1.88 -3.38 119.26 122.39 1huh h ALA 126 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1huh h ALA 126 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1huh h ALA 126 CO 0.04 0.36 -1.15 1.63 0.00 0.00 0.00 179.25 180.13 1huh n LYS 127 N -4.31 2.53 -3.96 0.00 5.02 -1.20 -5.04 118.16 111.20 1huh n LYS 127 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1huh n LYS 127 Cb 0.23 -1.05 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1huh n LYS 127 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1huh s TYR 128 N -2.05 2.66 -0.14 2.13 2.02 -0.89 -5.05 117.35 116.03 1huh s TYR 128 Ca -0.02 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.21 1huh s TYR 128 Cb 0.01 -1.96 -0.23 0.00 -0.40 0.00 0.00 41.96 39.38 1huh s TYR 128 CO 0.08 0.13 0.29 -1.13 -1.57 0.00 0.00 175.55 173.35 1huh n SER 129 N -1.31 1.37 -3.80 2.29 3.41 -1.26 -4.58 113.62 109.74 1huh n SER 129 Ca -0.00 0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.65 1huh n SER 129 Cb 0.63 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 1huh n SER 129 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1huh s SER 130 N -6.40 0.43 0.53 4.04 1.04 -1.26 -5.03 113.70 107.05 1huh s SER 130 Ca -0.17 -1.31 0.26 0.00 0.48 0.00 0.00 55.95 55.20 1huh s SER 130 Cb 0.07 0.54 1.46 0.00 0.10 0.00 0.00 66.02 68.19 1huh s SER 130 CO 0.76 -1.08 2.10 0.25 0.98 0.00 0.00 173.24 176.26 1huh h LEU 131 N 2.32 0.00 0.25 2.42 5.85 -1.95 -2.22 115.31 121.98 1huh h LEU 131 Ca -0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1huh h LEU 131 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1huh h LEU 131 CO 0.42 0.10 -0.12 0.00 -0.34 0.00 0.00 178.44 178.50 1huh h ALA 132 N 1.90 -0.34 0.75 1.25 0.00 -1.99 -0.15 119.26 120.67 1huh h ALA 132 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1huh h ALA 132 Cb 0.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1huh h ALA 132 CO 0.01 -0.58 -0.40 1.49 0.00 0.00 0.00 179.25 179.78 1huh h GLU 133 N -0.56 -1.02 -0.49 0.00 4.81 -1.95 -3.33 114.58 112.03 1huh h GLU 133 Ca -0.03 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1huh h GLU 133 Cb 0.41 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 1huh h GLU 133 CO 0.06 -0.68 0.08 0.00 -0.73 0.00 0.00 179.01 177.74 1huh h ALA 134 N -0.84 0.54 -1.14 2.92 0.00 -1.40 -3.21 119.26 116.11 1huh h ALA 134 Ca -0.10 0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.25 1huh h ALA 134 Cb 0.83 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1huh h ALA 134 CO 0.14 -0.33 1.22 0.00 0.00 0.00 0.00 179.25 180.29 1huh n ALA 135 N -2.55 1.10 0.19 0.00 0.00 -0.07 -1.71 120.51 117.48 1huh n ALA 135 Ca 0.05 0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.93 1huh n ALA 135 Cb 0.25 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 1huh n ALA 135 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1huh n SER 136 N -3.29 1.61 -4.77 0.00 3.41 -1.21 -4.63 113.62 104.74 1huh n SER 136 Ca 0.26 -0.27 -0.39 0.00 -0.26 0.00 0.00 58.87 58.20 1huh n SER 136 Cb 1.57 1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 66.83 1huh n SER 136 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1huh s LYS 137 N -2.61 4.70 0.25 4.33 -0.14 -0.69 -4.73 119.74 120.85 1huh s LYS 137 Ca -0.01 1.34 0.13 0.00 -1.36 0.00 0.00 55.97 56.06 1huh s LYS 137 Cb 0.08 -3.17 0.88 0.00 -1.68 0.00 0.00 37.83 33.95 1huh s LYS 137 CO 0.51 0.49 1.08 0.00 -0.76 0.00 0.00 175.35 176.67 1huh n ALA 138 N 1.32 0.67 -1.31 5.17 0.00 -1.26 -1.08 120.51 124.02 1huh n ALA 138 Ca -0.02 0.70 0.07 0.00 0.00 0.00 0.00 53.44 54.18 1huh n ALA 138 Cb 0.48 -0.68 0.19 0.00 0.00 0.00 0.00 19.45 19.44 1huh n ALA 138 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1huh n ASP 139 N -4.58 2.26 0.01 0.00 5.75 -1.26 -4.28 116.55 114.45 1huh n ASP 139 Ca 0.25 -3.48 -0.18 0.00 -0.01 0.00 0.00 54.79 51.37 1huh n ASP 139 Cb 0.85 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 40.32 1huh n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1huh h GLY 140 N 0.67 0.54 -2.18 6.12 0.00 -0.97 -3.42 103.07 103.82 1huh h GLY 140 Ca 0.03 -0.95 -0.58 0.00 0.00 0.00 0.00 47.33 45.83 1huh h GLY 140 CO 0.07 0.84 -0.63 1.08 0.00 0.00 0.00 176.54 177.89 1huh s LEU 141 N -8.27 2.97 -0.20 3.11 1.43 0.57 -0.32 118.68 117.97 1huh s LEU 141 Ca -0.12 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 1huh s LEU 141 Cb 0.04 -1.37 0.07 0.00 0.03 0.00 0.00 46.19 44.95 1huh s LEU 141 CO 0.85 -0.18 0.47 0.00 0.23 0.00 0.00 176.35 177.72 1huh s ALA 142 N -2.49 -1.24 -0.05 4.21 0.00 -0.37 -2.53 121.76 119.29 1huh s ALA 142 Ca 0.34 1.73 0.03 0.00 0.00 0.00 0.00 51.96 54.05 1huh s ALA 142 Cb -0.01 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1huh s ALA 142 CO 0.19 -0.32 -0.11 0.08 0.00 0.00 0.00 175.76 175.60 1huh s VAL 143 N 1.52 1.02 -0.03 0.00 1.01 -1.17 -0.94 120.40 121.81 1huh s VAL 143 Ca -0.09 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 1huh s VAL 143 Cb -0.08 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1huh s VAL 143 CO -0.14 0.32 0.44 -0.63 0.00 0.00 0.00 175.10 175.08 1huh s ILE 144 N 0.41 5.04 -0.16 2.22 1.01 0.98 -1.29 121.20 129.42 1huh s ILE 144 Ca -0.09 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 1huh s ILE 144 Cb -0.13 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1huh s ILE 144 CO 0.02 0.51 -0.12 -0.83 0.00 0.00 0.00 174.94 174.52 1huh s GLY 145 N -0.61 1.53 -0.18 6.18 0.00 0.18 -1.40 107.32 113.02 1huh s GLY 145 Ca 0.25 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.95 1huh s GLY 145 CO 0.13 0.05 -0.19 0.14 0.00 0.00 0.00 173.10 173.23 1huh s VAL 146 N 0.81 2.18 0.06 1.40 1.01 0.02 -1.79 120.40 124.09 1huh s VAL 146 Ca -0.04 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 1huh s VAL 146 Cb -0.15 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1huh s VAL 146 CO 0.01 0.53 1.60 -0.76 0.00 0.00 0.00 175.10 176.47 1huh s LEU 147 N 1.24 4.36 -0.11 3.92 1.43 -1.26 -0.77 118.68 127.49 1huh s LEU 147 Ca 0.04 2.41 -0.03 0.00 -1.03 0.00 0.00 54.13 55.51 1huh s LEU 147 Cb -0.13 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1huh s LEU 147 CO -0.11 -0.85 0.03 -0.04 0.23 0.00 0.00 176.35 175.61 1huh s MET 148 N 2.52 3.21 -0.16 1.70 -1.94 0.13 -2.30 119.30 122.45 1huh s MET 148 Ca 0.72 -0.37 0.01 0.00 -1.71 0.00 0.00 55.69 54.34 1huh s MET 148 Cb -0.38 -2.91 0.02 0.00 2.01 0.00 0.00 34.83 33.57 1huh s MET 148 CO 0.31 0.63 -0.19 0.21 -0.01 0.00 0.00 175.02 175.97 1huh s LYS 149 N -0.68 2.82 0.12 2.03 2.20 -0.30 -1.75 119.74 124.18 1huh s LYS 149 Ca 0.11 -0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 54.64 1huh s LYS 149 Cb -0.12 -2.41 -0.08 0.00 -1.51 0.00 0.00 37.83 33.71 1huh s LYS 149 CO 0.02 -0.16 1.44 0.54 -0.36 0.00 0.00 175.35 176.84 1huh s VAL 150 N 1.20 3.14 0.00 4.02 0.11 -1.26 -2.99 120.40 124.62 1huh s VAL 150 Ca 0.01 0.80 0.00 0.00 -2.93 0.00 0.00 61.98 59.87 1huh s VAL 150 Cb -0.14 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1huh s VAL 150 CO -0.09 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1huh n GLY 151 N 3.58 0.61 3.74 6.54 0.00 0.28 -4.93 105.19 115.01 1huh n GLY 151 Ca 0.12 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 1huh n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1huh s GLU 152 N 2.74 4.73 0.20 1.61 0.41 -1.26 -4.22 118.70 122.90 1huh s GLU 152 Ca 0.00 1.52 -0.30 0.00 -0.41 0.00 0.00 54.97 55.78 1huh s GLU 152 Cb 0.00 -3.32 -0.16 0.00 -1.78 0.00 0.00 34.13 28.86 1huh s GLU 152 CO 0.00 0.29 0.82 0.00 -0.49 0.00 0.00 175.26 175.88 1huh n ALA 153 N 2.24 -1.90 -3.45 5.21 0.00 -1.26 -3.01 120.51 118.35 1huh n ALA 153 Ca 0.01 0.45 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 1huh n ALA 153 Cb 0.48 -1.81 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 1huh n ALA 153 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1huh s ASN 154 N -0.60 4.96 0.38 0.00 3.84 -1.26 -4.81 114.94 117.45 1huh s ASN 154 Ca 0.67 -1.07 0.22 0.00 0.21 0.00 0.00 52.86 52.89 1huh s ASN 154 Cb -0.89 -1.78 0.25 0.00 -0.55 0.00 0.00 41.25 38.28 1huh s ASN 154 CO 0.56 -0.25 1.50 1.55 -2.79 0.00 0.00 177.10 177.68 1huh h PRO 155 N 8.11 0.00 0.00 0.43 0.13 -1.94 -2.72 132.00 136.01 1huh h PRO 155 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1huh h PRO 155 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1huh h PRO 155 CO 0.57 0.07 0.00 1.63 -0.23 0.00 0.00 178.00 180.04 1huh n LYS 156 N -3.06 0.08 0.00 0.86 5.02 -1.26 -2.52 118.16 117.29 1huh n LYS 156 Ca 0.03 0.23 0.11 0.00 -2.02 0.00 0.00 58.31 56.67 1huh n LYS 156 Cb 0.56 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1huh n LYS 156 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1huh n LEU 157 N -1.29 1.19 -0.04 -0.35 4.77 -1.03 -4.51 117.00 115.74 1huh n LEU 157 Ca 0.03 -0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 55.49 1huh n LEU 157 Cb 0.05 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1huh n LEU 157 CO 0.04 0.25 0.82 -0.61 -1.33 0.00 0.00 177.39 176.57 1huh h GLN 158 N 0.84 -0.01 -0.03 3.23 5.75 -1.65 -0.73 115.11 122.51 1huh h GLN 158 Ca 0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1huh h GLN 158 Cb 0.57 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 1huh h GLN 158 CO 0.00 -0.01 0.07 0.87 -2.65 0.00 0.00 178.83 177.12 1huh h LYS 159 N -0.01 0.00 0.16 1.69 1.57 -1.81 -1.37 116.57 116.80 1huh h LYS 159 Ca 0.10 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.57 1huh h LYS 159 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1huh h LYS 159 CO -0.21 0.00 -1.41 0.28 -0.57 0.00 0.00 179.45 177.54 1huh h VAL 160 N 0.00 1.32 0.01 0.50 2.07 -1.46 -3.32 116.25 115.37 1huh h VAL 160 Ca 0.02 -2.87 -0.20 0.00 0.82 0.00 0.00 66.70 64.46 1huh h VAL 160 Cb 0.16 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 1huh h VAL 160 CO -0.00 0.85 -0.89 -0.07 0.02 0.00 0.00 177.57 177.48 1huh h LEU 161 N 0.09 0.25 -1.12 2.57 3.38 -0.50 -3.11 115.31 116.88 1huh h LEU 161 Ca -0.21 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1huh h LEU 161 Cb 2.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1huh h LEU 161 CO 0.21 1.02 -0.28 0.44 0.09 0.00 0.00 178.44 179.92 1huh h ASP 162 N 0.10 0.27 0.80 -0.43 3.32 -1.57 -2.93 116.42 115.98 1huh h ASP 162 Ca -0.05 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 1huh h ASP 162 Cb 1.53 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1huh h ASP 162 CO 0.14 0.55 -0.29 0.00 -1.72 0.00 0.00 179.24 177.92 1huh h ALA 163 N 1.47 1.06 0.00 3.45 0.00 -1.64 -3.18 119.26 120.42 1huh h ALA 163 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1huh h ALA 163 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1huh h ALA 163 CO 0.05 0.36 -0.21 -0.07 0.00 0.00 0.00 179.25 179.37 1huh h LEU 164 N 0.00 0.00 -1.22 0.00 3.38 -1.50 -2.88 115.31 113.08 1huh h LEU 164 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1huh h LEU 164 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1huh h LEU 164 CO 0.04 0.21 0.55 1.56 0.09 0.00 0.00 178.44 180.89 1huh h GLN 165 N 0.00 0.93 -0.00 1.13 1.08 -1.69 -2.04 115.11 114.52 1huh h GLN 165 Ca -0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1huh h GLN 165 Cb 0.57 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1huh h GLN 165 CO 0.03 0.62 -0.20 0.00 -0.95 0.00 0.00 178.83 178.32 1huh n ALA 166 N -2.41 2.91 -2.49 3.87 0.00 -1.09 -4.17 120.51 117.12 1huh n ALA 166 Ca 0.12 -0.27 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 1huh n ALA 166 Cb 0.18 -1.29 0.02 0.00 0.00 0.00 0.00 19.45 18.36 1huh n ALA 166 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1huh n ILE 167 N -1.18 1.90 -0.05 0.00 -5.35 -0.77 -4.72 119.36 109.19 1huh n ILE 167 Ca 0.10 -4.10 -0.10 0.00 -0.27 0.00 0.00 62.75 58.39 1huh n ILE 167 Cb 0.31 -0.46 -0.03 0.00 -1.74 0.00 0.00 39.64 37.72 1huh n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1huh h LYS 168 N 2.64 0.30 -5.97 6.28 1.63 -1.72 -3.41 116.57 116.32 1huh h LYS 168 Ca 0.16 -0.02 -0.57 0.00 -0.85 0.00 0.00 60.65 59.37 1huh h LYS 168 Cb 1.13 -0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.60 1huh h LYS 168 CO 0.67 0.21 -0.53 0.95 -3.45 0.00 0.00 179.45 177.31 1huh s THR 169 N -6.11 2.53 0.21 1.00 -4.23 -1.26 -0.57 115.64 107.21 1huh s THR 169 Ca -0.13 -1.75 -0.31 0.00 -1.18 0.00 0.00 61.69 58.31 1huh s THR 169 Cb 0.09 -2.95 -0.11 0.00 1.34 0.00 0.00 72.50 70.86 1huh s THR 169 CO 0.70 -0.08 1.65 -0.75 -0.54 0.00 0.00 174.62 175.60 1huh s LYS 170 N -3.85 4.15 0.00 3.99 2.20 -0.91 -2.70 119.74 122.62 1huh s LYS 170 Ca 0.39 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 1huh s LYS 170 Cb 0.02 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1huh s LYS 170 CO 0.22 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 1huh n GLY 171 N 3.58 1.16 3.73 5.54 0.00 0.11 -4.63 105.19 114.68 1huh n GLY 171 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1huh n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1huh s LYS 172 N -0.56 4.42 0.21 1.61 -0.14 -1.10 -4.91 119.74 119.27 1huh s LYS 172 Ca 0.00 1.97 0.10 0.00 -1.36 0.00 0.00 55.97 56.68 1huh s LYS 172 Cb 0.00 -3.23 -0.05 0.00 -1.68 0.00 0.00 37.83 32.87 1huh s LYS 172 CO 0.00 -0.23 -0.19 -0.98 -0.76 0.00 0.00 175.35 173.19 1huh s ARG 173 N 0.17 1.45 0.05 1.68 1.70 -1.26 -1.84 118.95 120.89 1huh s ARG 173 Ca 0.57 -1.58 -0.16 0.00 -0.47 0.00 0.00 55.73 54.09 1huh s ARG 173 Cb -0.34 -1.51 0.03 0.00 -0.57 0.00 0.00 34.95 32.55 1huh s ARG 173 CO 0.35 0.29 0.36 0.00 -1.08 0.00 0.00 175.30 175.23 1huh s ALA 174 N -2.31 -0.84 0.49 7.88 0.00 -0.82 -4.92 121.76 121.23 1huh s ALA 174 Ca 0.22 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 1huh s ALA 174 Cb -0.05 0.37 -0.07 0.00 0.00 0.00 0.00 23.12 23.37 1huh s ALA 174 CO 0.10 -0.45 1.16 -1.25 0.00 0.00 0.00 175.76 175.31 1huh s PRO 175 N -2.65 3.61 -0.28 0.00 0.04 -1.26 -1.84 135.00 132.62 1huh s PRO 175 Ca -0.04 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 1huh s PRO 175 Cb -0.00 -2.27 0.17 0.00 0.04 0.00 0.00 34.50 32.44 1huh s PRO 175 CO -0.04 -0.67 0.50 0.12 0.04 0.00 0.00 177.00 176.96 1huh s PHE 176 N -1.62 -1.32 0.15 0.56 2.19 0.89 -4.68 117.98 114.16 1huh s PHE 176 Ca 0.67 1.17 0.04 0.00 0.33 0.00 0.00 56.93 59.14 1huh s PHE 176 Cb -0.27 0.27 -0.04 0.00 -1.31 0.00 0.00 43.02 41.66 1huh s PHE 176 CO 0.32 -0.87 -0.09 0.95 1.83 0.00 0.00 175.22 177.37 1huh s THR 177 N 2.72 1.12 -1.11 0.12 -4.23 -1.26 -0.58 115.64 112.41 1huh s THR 177 Ca 0.15 -2.05 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 1huh s THR 177 Cb -0.14 -1.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 1huh s THR 177 CO -0.21 -0.70 0.83 0.59 -0.54 0.00 0.00 174.62 174.59 1huh n ASN 178 N -0.22 -5.71 -3.67 3.99 3.02 0.21 -4.97 115.26 107.91 1huh n ASN 178 Ca -0.10 -0.92 -0.16 0.00 -0.03 0.00 0.00 54.58 53.38 1huh n ASN 178 Cb 0.61 -3.96 -0.15 0.00 -0.61 0.00 0.00 39.78 35.67 1huh n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1huh s PHE 179 N -3.44 -0.24 -0.30 3.10 5.36 -0.21 -4.93 117.98 117.31 1huh s PHE 179 Ca 0.47 0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 57.10 1huh s PHE 179 Cb -0.13 -0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.39 1huh s PHE 179 CO 0.82 -0.29 0.04 0.34 -1.46 0.00 0.00 175.22 174.67 1huh s ASP 180 N 2.23 4.94 0.56 6.13 2.15 -1.26 -4.38 116.67 127.04 1huh s ASP 180 Ca 0.02 -1.00 0.34 0.00 0.43 0.00 0.00 52.55 52.34 1huh s ASP 180 Cb -0.12 -1.79 1.51 0.00 -0.30 0.00 0.00 42.92 42.22 1huh s ASP 180 CO -0.07 -0.23 2.04 1.55 -0.17 0.00 0.00 175.17 178.30 1huh h PRO 181 N 8.12 0.00 0.00 4.34 0.13 -1.96 -2.44 132.00 140.19 1huh h PRO 181 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1huh h PRO 181 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1huh h PRO 181 CO 0.58 0.04 0.00 -1.13 -0.23 0.00 0.00 178.00 177.26 1huh n SER 182 N -3.18 0.00 0.21 1.44 3.41 -1.26 0.46 113.62 114.70 1huh n SER 182 Ca -0.00 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1huh n SER 182 Cb 0.27 -0.34 0.15 0.00 -0.26 0.00 0.00 64.21 64.04 1huh n SER 182 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1huh h THR 183 N 0.00 0.00 0.00 6.66 1.35 -1.87 -3.29 112.91 115.77 1huh h THR 183 Ca 0.00 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1huh h THR 183 Cb 0.05 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1huh h THR 183 CO 0.00 0.00 -0.56 0.18 -0.25 0.00 0.00 175.52 174.89 1huh n LEU 184 N -3.04 0.55 -4.86 3.87 4.77 0.17 -4.95 117.00 113.51 1huh n LEU 184 Ca 0.04 -0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1huh n LEU 184 Cb 0.53 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1huh n LEU 184 CO 0.35 0.12 0.73 -0.76 -1.33 0.00 0.00 177.39 176.50 1huh s LEU 185 N -3.11 2.88 1.18 2.23 1.43 -1.24 -4.99 118.68 117.06 1huh s LEU 185 Ca 0.10 1.25 -0.20 0.00 -1.03 0.00 0.00 54.13 54.25 1huh s LEU 185 Cb 0.17 -4.03 0.29 0.00 0.03 0.00 0.00 46.19 42.64 1huh s LEU 185 CO 0.72 -1.46 1.17 -2.16 0.23 0.00 0.00 176.35 174.85 1huh s PRO 186 N -5.26 -1.09 0.01 1.29 0.04 -1.26 -5.01 135.00 123.72 1huh s PRO 186 Ca 0.58 -0.28 -0.25 0.00 0.04 0.00 0.00 61.00 61.10 1huh s PRO 186 Cb -0.12 -1.63 -0.17 0.00 0.04 0.00 0.00 34.50 32.62 1huh s PRO 186 CO 0.53 -3.59 1.25 0.77 0.04 0.00 0.00 177.00 176.00 1huh h SER 187 N -2.49 -0.33 -2.91 6.66 0.02 -1.96 -3.44 113.55 109.12 1huh h SER 187 Ca -0.43 -0.18 -0.58 0.00 -0.84 0.00 0.00 61.79 59.75 1huh h SER 187 Cb 1.27 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 1huh h SER 187 CO 0.30 0.04 -0.42 -0.94 -1.14 0.00 0.00 176.83 174.66 1huh s SER 188 N -5.11 6.39 -0.40 3.07 1.04 -1.26 -5.05 113.70 112.39 1huh s SER 188 Ca -0.14 0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.69 1huh s SER 188 Cb 0.02 -1.99 0.44 0.00 0.10 0.00 0.00 66.02 64.59 1huh s SER 188 CO 0.55 0.09 1.24 0.18 0.98 0.00 0.00 173.24 176.28 1huh n LEU 189 N -0.04 5.09 -4.77 2.42 4.77 -1.26 -4.75 117.00 118.46 1huh n LEU 189 Ca -0.05 -4.93 -0.36 0.00 -0.03 0.00 0.00 56.01 50.65 1huh n LEU 189 Cb 0.52 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1huh n LEU 189 CO 0.50 2.12 0.83 -1.81 -1.33 0.00 0.00 177.39 177.69 1huh s ASP 190 N -3.38 5.80 0.15 -1.43 1.01 -1.26 -4.62 116.67 112.94 1huh s ASP 190 Ca 0.51 2.31 -0.13 0.00 0.71 0.00 0.00 52.55 55.94 1huh s ASP 190 Cb 0.41 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.76 1huh s ASP 190 CO -0.08 -1.17 0.37 0.72 0.21 0.00 0.00 175.17 175.22 1huh s PHE 191 N -1.61 0.04 0.05 4.23 -0.71 -1.26 -1.55 117.98 117.16 1huh s PHE 191 Ca 0.69 -0.40 -0.01 0.00 -1.04 0.00 0.00 56.93 56.18 1huh s PHE 191 Cb -0.28 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 1huh s PHE 191 CO 0.33 -0.74 0.21 -1.58 -1.34 0.00 0.00 175.22 172.10 1huh s TRP 192 N -3.88 3.53 -0.01 3.49 0.51 0.12 -1.44 118.94 121.26 1huh s TRP 192 Ca 0.09 0.29 0.01 0.00 -2.12 0.00 0.00 56.10 54.36 1huh s TRP 192 Cb 0.02 -1.78 0.00 0.00 -0.81 0.00 0.00 33.47 30.90 1huh s TRP 192 CO -0.06 0.60 -0.02 -0.08 -0.51 0.00 0.00 176.95 176.87 1huh s THR 193 N -1.47 0.23 0.08 2.01 -1.32 0.15 0.12 115.64 115.44 1huh s THR 193 Ca 0.33 -0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.57 1huh s THR 193 Cb -0.13 -0.22 0.03 0.00 -1.51 0.00 0.00 72.50 70.67 1huh s THR 193 CO 0.26 0.08 0.37 -0.72 -2.21 0.00 0.00 174.62 172.40 1huh s TYR 194 N 0.15 -0.18 -0.24 9.09 1.13 -1.19 -1.41 117.35 124.71 1huh s TYR 194 Ca -0.01 -0.03 -0.29 0.00 -1.41 0.00 0.00 57.07 55.33 1huh s TYR 194 Cb -0.04 0.19 -0.02 0.00 -1.10 0.00 0.00 41.96 40.99 1huh s TYR 194 CO -0.00 -0.61 1.48 -1.25 -2.51 0.00 0.00 175.55 172.66 1huh s PRO 195 N -3.14 3.88 0.00 -3.49 0.04 -1.26 -0.70 135.00 130.33 1huh s PRO 195 Ca -0.01 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1huh s PRO 195 Cb 0.01 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1huh s PRO 195 CO -0.07 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1huh n GLY 196 N 4.45 5.43 2.14 0.56 0.00 0.10 -4.78 105.19 113.08 1huh n GLY 196 Ca 0.17 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 1huh n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1huh n SER 197 N 0.00 -1.01 -4.75 1.61 3.41 -1.19 -2.99 113.62 108.70 1huh n SER 197 Ca 0.00 -2.11 -0.35 0.00 -0.26 0.00 0.00 58.87 56.16 1huh n SER 197 Cb 0.00 1.80 0.06 0.00 -0.26 0.00 0.00 64.21 65.80 1huh n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1huh s LEU 198 N 0.00 3.47 -0.06 1.04 1.43 0.60 -4.46 118.68 120.70 1huh s LEU 198 Ca 0.15 2.27 0.20 0.00 -1.03 0.00 0.00 54.13 55.73 1huh s LEU 198 Cb -0.01 -4.58 0.68 0.00 0.03 0.00 0.00 46.19 42.31 1huh s LEU 198 CO 0.11 -1.84 1.58 0.35 0.23 0.00 0.00 176.35 176.79 1huh n THR 199 N -2.20 1.42 -3.48 5.49 -2.24 -1.26 -4.50 114.28 107.50 1huh n THR 199 Ca 0.13 -1.07 -0.13 0.00 -2.27 0.00 0.00 64.05 60.70 1huh n THR 199 Cb 0.50 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 1huh n THR 199 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1huh s HIS 200 N -1.47 -0.51 0.10 4.78 0.00 -1.26 -4.62 115.29 112.31 1huh s HIS 200 Ca 0.50 0.46 -0.28 0.00 -3.00 0.00 0.00 55.06 52.74 1huh s HIS 200 Cb 0.29 0.47 -0.15 0.00 -4.00 0.00 0.00 32.58 29.19 1huh s HIS 200 CO 0.29 -0.76 0.63 -2.30 -1.00 0.00 0.00 174.74 171.59 1huh n PRO 201 N 0.00 0.00 0.00 -0.38 -0.02 -1.26 -1.88 135.00 131.46 1huh n PRO 201 Ca -0.17 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.42 1huh n PRO 201 Cb 0.63 -1.02 0.62 0.00 -0.02 0.00 0.00 33.50 33.71 1huh n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1huh n PRO 202 N 1.02 0.43 -1.53 0.52 -0.02 -1.26 -5.01 135.00 129.14 1huh n PRO 202 Ca 0.16 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 1huh n PRO 202 Cb 0.16 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 1huh n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1huh n LEU 203 N -1.23 -0.99 -4.60 2.45 4.77 -0.79 -4.94 117.00 111.67 1huh n LEU 203 Ca 0.13 0.22 -0.45 0.00 -0.03 0.00 0.00 56.01 55.88 1huh n LEU 203 Cb 0.17 -1.81 -0.02 0.00 -2.33 0.00 0.00 43.42 39.43 1huh n LEU 203 CO 0.17 -0.49 0.64 -1.22 -1.33 0.00 0.00 177.39 175.16 1huh n TYR 204 N -2.97 1.43 -2.62 -1.77 4.01 -1.26 -4.36 117.16 109.62 1huh n TYR 204 Ca -0.12 0.67 -0.42 0.00 -0.16 0.00 0.00 57.90 57.88 1huh n TYR 204 Cb 0.43 -2.28 0.01 0.00 -0.31 0.00 0.00 39.34 37.19 1huh n TYR 204 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1huh n GLU 205 N 0.86 4.72 -0.03 -0.72 1.02 -1.26 -0.29 120.64 124.92 1huh n GLU 205 Ca 0.10 -4.27 0.03 0.00 -0.02 0.00 0.00 57.16 52.99 1huh n GLU 205 Cb 0.32 -2.58 0.04 0.00 -0.02 0.00 0.00 31.44 29.20 1huh n GLU 205 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1huh n SER 206 N 1.28 1.89 -4.22 1.62 3.41 -1.24 -4.29 113.62 112.07 1huh n SER 206 Ca 0.41 -2.20 -0.32 0.00 -0.26 0.00 0.00 58.87 56.50 1huh n SER 206 Cb 0.30 -0.11 -0.17 0.00 -0.26 0.00 0.00 64.21 63.96 1huh n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1huh s VAL 207 N -1.38 2.08 -0.45 -3.33 1.01 -1.16 -0.31 120.40 116.87 1huh s VAL 207 Ca 0.08 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 1huh s VAL 207 Cb 0.07 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.70 1huh s VAL 207 CO 0.01 0.56 0.41 -0.89 0.00 0.00 0.00 175.10 175.19 1huh s THR 208 N 0.39 5.15 0.51 3.92 2.01 -1.05 -0.72 115.64 125.85 1huh s THR 208 Ca -0.17 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 1huh s THR 208 Cb -0.18 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.19 1huh s THR 208 CO 0.08 -0.49 0.99 0.26 -0.69 0.00 0.00 174.62 174.77 1huh s TRP 209 N 1.92 3.32 -0.28 4.92 0.52 0.12 -3.07 118.94 126.39 1huh s TRP 209 Ca 0.08 1.51 -0.04 0.00 0.02 0.00 0.00 56.10 57.67 1huh s TRP 209 Cb -0.20 -2.86 0.10 0.00 -1.15 0.00 0.00 33.47 29.36 1huh s TRP 209 CO 0.10 -0.47 0.12 0.42 0.02 0.00 0.00 176.95 177.15 1huh s ILE 210 N -2.47 -0.04 -0.18 2.03 -1.09 -0.41 -3.14 121.20 115.89 1huh s ILE 210 Ca 0.61 -0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 58.22 1huh s ILE 210 Cb -0.11 -0.96 -0.05 0.00 -1.58 0.00 0.00 42.46 39.76 1huh s ILE 210 CO 0.28 -0.68 0.12 -0.63 -1.23 0.00 0.00 174.94 172.80 1huh s ILE 211 N 2.09 5.34 -0.02 2.92 -1.09 0.32 0.50 121.20 131.26 1huh s ILE 211 Ca 0.08 0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.36 1huh s ILE 211 Cb -0.16 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1huh s ILE 211 CO -0.34 0.48 1.17 0.00 -1.23 0.00 0.00 174.94 175.03 1huh h LYS 213 N 7.20 1.04 -6.31 0.00 3.64 -1.63 -3.43 116.57 117.08 1huh h LYS 213 Ca -0.37 -0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.39 1huh h LYS 213 Cb 1.18 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.73 1huh h LYS 213 CO 0.85 0.69 -0.00 -2.00 -2.27 0.00 0.00 179.45 176.72 1huh s GLU 214 N -5.98 4.23 0.19 1.90 2.12 -1.26 -5.08 118.70 114.82 1huh s GLU 214 Ca -0.12 0.77 0.04 0.00 0.36 0.00 0.00 54.97 56.02 1huh s GLU 214 Cb 0.21 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 1huh s GLU 214 CO 0.81 0.59 0.29 -1.54 -0.54 0.00 0.00 175.26 174.88 1huh s SER 215 N -1.23 6.20 0.27 -1.70 1.04 -1.26 -4.58 113.70 112.43 1huh s SER 215 Ca 0.32 0.08 0.11 0.00 0.48 0.00 0.00 55.95 56.93 1huh s SER 215 Cb -0.19 -1.81 -0.05 0.00 0.10 0.00 0.00 66.02 64.07 1huh s SER 215 CO 0.20 0.00 -0.10 0.27 0.98 0.00 0.00 173.24 174.59 1huh s ILE 216 N -1.86 2.98 0.52 -1.02 -4.36 -0.97 -4.93 121.20 111.56 1huh s ILE 216 Ca 0.34 -2.12 0.08 0.00 -0.26 0.00 0.00 60.65 58.68 1huh s ILE 216 Cb -0.10 -2.57 0.05 0.00 1.25 0.00 0.00 42.46 41.09 1huh s ILE 216 CO 0.28 -0.37 0.71 -0.94 0.24 0.00 0.00 174.94 174.86 1huh s SER 217 N -3.54 5.30 -0.23 4.36 1.04 -1.26 -1.15 113.70 118.22 1huh s SER 217 Ca 0.30 -0.60 -0.29 0.00 0.48 0.00 0.00 55.95 55.85 1huh s SER 217 Cb -0.06 -0.18 0.15 0.00 0.10 0.00 0.00 66.02 66.03 1huh s SER 217 CO 0.17 -1.12 1.15 0.54 0.98 0.00 0.00 173.24 174.96 1huh s VAL 218 N -2.57 0.00 0.36 5.02 0.11 -1.16 -4.55 120.40 117.62 1huh s VAL 218 Ca 0.59 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.71 1huh s VAL 218 Cb -0.08 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1huh s VAL 218 CO 0.37 0.00 0.45 -0.94 -3.33 0.00 0.00 175.10 171.65 1huh s SER 219 N -0.77 5.66 0.20 3.54 1.04 -1.25 -0.55 113.70 121.57 1huh s SER 219 Ca 0.03 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 55.97 1huh s SER 219 Cb -0.02 -0.97 0.24 0.00 0.10 0.00 0.00 66.02 65.37 1huh s SER 219 CO -0.04 -0.52 1.67 0.28 0.98 0.00 0.00 173.24 175.61 1huh h SER 220 N 0.91 -0.27 0.39 7.02 0.02 -1.96 -1.87 113.55 117.80 1huh h SER 220 Ca -0.44 0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 60.53 1huh h SER 220 Cb 1.26 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 1huh h SER 220 CO 0.52 -0.10 -0.53 -0.33 -1.14 0.00 0.00 176.83 175.25 1huh h GLU 221 N 0.11 0.16 -0.15 3.45 4.39 -1.96 0.42 114.58 120.99 1huh h GLU 221 Ca 0.29 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.93 1huh h GLU 221 Cb 0.45 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1huh h GLU 221 CO -0.48 0.65 -0.10 1.96 -1.16 0.00 0.00 179.01 179.88 1huh h GLN 222 N 0.12 -0.10 -0.33 2.33 4.20 -1.78 -2.69 115.11 116.86 1huh h GLN 222 Ca 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1huh h GLN 222 Cb 0.98 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1huh h GLN 222 CO 0.08 -0.07 0.15 -0.07 -0.67 0.00 0.00 178.83 178.25 1huh h LEU 223 N -0.11 0.44 -1.20 1.46 3.38 -0.86 0.03 115.31 118.45 1huh h LEU 223 Ca 0.09 -0.14 0.34 0.00 0.09 0.00 0.00 57.88 58.27 1huh h LEU 223 Cb 0.24 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1huh h LEU 223 CO -0.22 0.45 0.67 0.00 0.09 0.00 0.00 178.44 179.43 1huh h ALA 224 N 1.00 2.24 -0.60 1.53 0.00 0.01 -2.09 119.26 121.36 1huh h ALA 224 Ca 0.11 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1huh h ALA 224 Cb 0.13 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1huh h ALA 224 CO -0.01 -0.81 0.31 1.96 0.00 0.00 0.00 179.25 180.70 1huh h GLN 225 N 0.27 0.85 0.13 0.00 4.20 -0.65 -2.22 115.11 117.69 1huh h GLN 225 Ca 0.73 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 59.33 1huh h GLN 225 Cb 1.89 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1huh h GLN 225 CO -0.48 0.66 -0.13 0.74 -0.67 0.00 0.00 178.83 178.95 1huh h PHE 226 N 0.81 -0.34 0.00 2.96 0.04 -1.42 -2.32 116.94 116.68 1huh h PHE 226 Ca 0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1huh h PHE 226 Cb 0.07 0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1huh h PHE 226 CO -0.01 -0.20 0.00 0.54 -0.60 0.00 0.00 178.31 178.04 1huh n ARG 227 N -5.25 0.05 0.13 1.51 1.74 -1.05 -1.89 116.66 111.89 1huh n ARG 227 Ca -0.07 0.43 0.10 0.00 -0.77 0.00 0.00 57.85 57.54 1huh n ARG 227 Cb 0.17 -1.62 0.04 0.00 -1.02 0.00 0.00 32.46 30.02 1huh n ARG 227 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1huh h SER 228 N 0.00 0.00 -3.14 0.55 0.02 -0.82 -3.31 113.55 106.85 1huh h SER 228 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1huh h SER 228 Cb 0.13 0.00 0.22 0.00 0.14 0.00 0.00 62.40 62.88 1huh h SER 228 CO 0.00 0.06 -0.03 -0.76 -1.14 0.00 0.00 176.83 174.96 1huh s LEU 229 N -5.64 0.41 0.13 5.07 1.43 -0.79 -4.86 118.68 114.43 1huh s LEU 229 Ca 0.01 1.43 0.10 0.00 -1.03 0.00 0.00 54.13 54.64 1huh s LEU 229 Cb 0.08 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1huh s LEU 229 CO 0.76 -4.51 -0.22 -0.76 0.23 0.00 0.00 176.35 171.86 1huh s LEU 230 N -7.40 2.55 -0.01 1.79 1.43 0.27 -2.42 118.68 114.88 1huh s LEU 230 Ca 0.69 -0.66 0.19 0.00 -1.03 0.00 0.00 54.13 53.32 1huh s LEU 230 Cb -0.24 -1.40 -0.24 0.00 0.03 0.00 0.00 46.19 44.34 1huh s LEU 230 CO 0.65 0.17 0.69 -1.20 0.23 0.00 0.00 176.35 176.88 1huh n SER 231 N 0.76 0.75 -4.91 2.29 7.64 -0.12 -3.56 113.62 116.48 1huh n SER 231 Ca -0.16 -0.62 -0.28 0.00 1.01 0.00 0.00 58.87 58.82 1huh n SER 231 Cb 0.53 1.32 -0.01 0.00 -1.01 0.00 0.00 64.21 65.04 1huh n SER 231 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1huh s ASN 232 N -3.33 6.33 0.59 6.43 4.22 -1.26 -4.68 114.94 123.24 1huh s ASN 232 Ca 0.02 0.88 -0.16 0.00 -2.14 0.00 0.00 52.86 51.46 1huh s ASN 232 Cb 0.14 -2.22 -0.04 0.00 1.28 0.00 0.00 41.25 40.41 1huh s ASN 232 CO 0.80 -0.47 1.05 0.68 -2.04 0.00 0.00 177.10 177.13 1huh s VAL 233 N -2.55 3.83 0.27 3.54 -7.23 -1.26 -2.14 120.40 114.86 1huh s VAL 233 Ca 0.47 0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 61.21 1huh s VAL 233 Cb -0.10 -3.39 -0.12 0.00 0.56 0.00 0.00 36.38 33.32 1huh s VAL 233 CO 0.40 -0.50 1.51 1.21 -0.31 0.00 0.00 175.10 177.41 1huh n GLU 234 N -1.98 2.42 0.00 4.82 2.13 -1.26 -2.22 120.64 124.55 1huh n GLU 234 Ca 0.09 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.77 1huh n GLU 234 Cb 0.53 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.65 1huh n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1huh n GLY 235 N 2.10 1.65 3.56 8.31 0.00 -1.26 -5.06 105.19 114.49 1huh n GLY 235 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 1huh n GLY 235 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1huh n ASP 236 N 0.00 1.30 -4.74 1.61 8.00 -0.94 -5.06 116.55 116.72 1huh n ASP 236 Ca 0.00 -2.08 -0.41 0.00 0.71 0.00 0.00 54.79 53.02 1huh n ASP 236 Cb 0.00 -0.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.49 1huh n ASP 236 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1huh s ASN 237 N -4.69 7.17 0.10 -2.24 4.22 -1.26 -4.97 114.94 113.27 1huh s ASN 237 Ca 0.60 2.21 -0.31 0.00 -2.14 0.00 0.00 52.86 53.22 1huh s ASN 237 Cb -0.04 -2.61 -0.10 0.00 1.28 0.00 0.00 41.25 39.79 1huh s ASN 237 CO 0.40 -0.28 1.82 0.00 -2.04 0.00 0.00 177.10 177.00 1huh s ALA 238 N -0.37 3.73 -0.23 3.54 0.00 -1.26 -4.81 121.76 122.37 1huh s ALA 238 Ca 0.50 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 1huh s ALA 238 Cb -0.32 -3.76 0.07 0.00 0.00 0.00 0.00 23.12 19.10 1huh s ALA 238 CO 0.37 -1.25 0.01 0.08 0.00 0.00 0.00 175.76 174.97 1huh s VAL 239 N 2.95 0.94 0.54 0.00 1.01 -1.26 -5.04 120.40 119.54 1huh s VAL 239 Ca 0.81 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1huh s VAL 239 Cb -0.45 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1huh s VAL 239 CO 0.36 -0.24 1.02 -2.84 0.00 0.00 0.00 175.10 173.40 1huh s PRO 240 N 1.65 3.67 -1.37 2.72 0.02 -1.26 -0.94 135.00 139.48 1huh s PRO 240 Ca -0.01 1.13 -0.10 0.00 0.02 0.00 0.00 61.00 62.04 1huh s PRO 240 Cb -0.18 -2.09 0.10 0.00 0.02 0.00 0.00 34.50 32.35 1huh s PRO 240 CO -0.10 -0.52 2.17 -0.12 -0.33 0.00 0.00 177.00 178.11 1huh n MET 241 N -1.63 3.57 0.15 5.54 1.56 -1.02 -4.75 117.12 120.55 1huh n MET 241 Ca 0.08 -3.12 -0.14 0.00 -0.27 0.00 0.00 57.70 54.26 1huh n MET 241 Cb 0.53 -2.97 -0.07 0.00 2.15 0.00 0.00 33.22 32.87 1huh n MET 241 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 1huh h GLN 242 N 5.55 -0.34 -2.70 2.12 4.15 -1.89 -3.36 115.11 118.64 1huh h GLN 242 Ca 0.54 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.93 1huh h GLN 242 Cb 0.54 0.08 -0.16 0.00 0.21 0.00 0.00 27.48 28.15 1huh h GLN 242 CO 1.70 -0.23 0.08 -3.38 -1.93 0.00 0.00 178.83 175.07 1huh s HIS 243 N -6.13 -0.47 -0.28 3.99 -3.43 -1.26 -3.47 115.29 104.24 1huh s HIS 243 Ca -0.15 0.54 0.21 0.00 -0.80 0.00 0.00 55.06 54.86 1huh s HIS 243 Cb 0.06 0.38 0.49 0.00 -1.43 0.00 0.00 32.58 32.07 1huh s HIS 243 CO 0.65 -0.66 1.13 0.27 -2.00 0.00 0.00 174.74 174.12 1huh n ASN 244 N 0.38 1.19 -4.52 7.38 0.23 -0.89 -4.82 115.26 114.21 1huh n ASN 244 Ca -0.18 -2.16 -0.32 0.00 -0.53 0.00 0.00 54.58 51.38 1huh n ASN 244 Cb 0.60 -0.35 -0.12 0.00 -2.08 0.00 0.00 39.78 37.84 1huh n ASN 244 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1huh s ASN 245 N -3.39 4.23 -0.01 0.53 2.20 -1.24 -4.67 114.94 112.59 1huh s ASN 245 Ca 0.25 -0.23 -0.09 0.00 -0.94 0.00 0.00 52.86 51.86 1huh s ASN 245 Cb 0.36 -0.89 -0.05 0.00 -2.00 0.00 0.00 41.25 38.67 1huh s ASN 245 CO -0.04 0.30 0.29 -0.60 -2.94 0.00 0.00 177.10 174.12 1huh s ARG 246 N -1.18 3.65 1.06 3.55 3.52 -1.26 -4.97 118.95 123.32 1huh s ARG 246 Ca 0.14 0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.68 1huh s ARG 246 Cb -0.11 -3.12 0.22 0.00 -1.56 0.00 0.00 34.95 30.39 1huh s ARG 246 CO 0.04 0.67 1.07 -2.14 -0.81 0.00 0.00 175.30 174.13 1huh s PRO 247 N -1.51 -0.06 0.62 5.12 0.02 -1.26 -4.68 135.00 133.26 1huh s PRO 247 Ca 0.25 0.69 -0.10 0.00 0.02 0.00 0.00 61.00 61.87 1huh s PRO 247 Cb -0.14 -1.67 -0.02 0.00 0.02 0.00 0.00 34.50 32.70 1huh s PRO 247 CO 0.14 -3.10 1.00 0.95 -0.33 0.00 0.00 177.00 175.65 1huh s THR 248 N -2.75 4.25 0.03 0.99 -4.23 -1.26 -4.31 115.64 108.36 1huh s THR 248 Ca 0.66 0.55 0.09 0.00 -1.18 0.00 0.00 61.69 61.81 1huh s THR 248 Cb -0.21 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 1huh s THR 248 CO 0.60 -0.87 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.46 1huh s GLN 249 N -5.14 1.78 0.51 3.99 -1.52 0.04 -4.97 119.66 114.34 1huh s GLN 249 Ca 0.55 -1.04 -0.20 0.00 -1.95 0.00 0.00 55.36 52.71 1huh s GLN 249 Cb -0.11 -1.90 -0.10 0.00 -0.22 0.00 0.00 33.01 30.68 1huh s GLN 249 CO 0.51 0.50 0.68 -2.30 -0.25 0.00 0.00 175.29 174.42 1huh n PRO 250 N 1.92 0.73 0.09 2.91 -0.01 -1.26 -4.59 135.00 134.78 1huh n PRO 250 Ca -0.17 0.27 -0.13 0.00 -0.01 0.00 0.00 63.50 63.47 1huh n PRO 250 Cb 0.52 -1.77 -0.12 0.00 -0.01 0.00 0.00 33.50 32.12 1huh n PRO 250 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 175.50 176.74 1huh h LEU 251 N 0.66 0.32 -2.87 2.45 7.12 -1.93 -3.43 115.31 117.63 1huh h LEU 251 Ca -0.44 -0.33 -0.43 0.00 0.13 0.00 0.00 57.88 56.81 1huh h LEU 251 Cb 1.38 -0.10 0.08 0.00 -0.53 0.00 0.00 40.66 41.49 1huh h LEU 251 CO 0.50 1.23 -0.92 0.29 -0.13 0.00 0.00 178.44 179.42 1huh n LYS 252 N -3.52 -1.89 -0.06 1.25 5.02 -1.26 -2.29 118.16 115.41 1huh n LYS 252 Ca -0.06 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1huh n LYS 252 Cb 0.97 -4.38 0.00 0.00 -0.02 0.00 0.00 35.03 31.60 1huh n LYS 252 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1huh n GLY 253 N -1.68 1.48 3.79 0.72 0.00 -1.26 -4.95 105.19 103.29 1huh n GLY 253 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1huh n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1huh s ARG 254 N -0.47 3.41 -0.13 1.61 0.52 -0.97 -5.05 118.95 117.87 1huh s ARG 254 Ca 0.00 1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 56.61 1huh s ARG 254 Cb 0.00 -2.03 -0.02 0.00 0.52 0.00 0.00 34.95 33.42 1huh s ARG 254 CO 0.00 -0.76 -0.12 0.99 0.02 0.00 0.00 175.30 175.43 1huh s THR 255 N -2.07 3.14 -0.31 0.02 2.01 -1.26 -5.03 115.64 112.14 1huh s THR 255 Ca 0.68 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.91 1huh s THR 255 Cb -0.19 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1huh s THR 255 CO 0.29 0.52 0.34 -0.69 -0.69 0.00 0.00 174.62 174.39 1huh s VAL 256 N 0.37 5.19 0.14 3.82 1.01 -1.26 -4.65 120.40 125.01 1huh s VAL 256 Ca -0.10 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1huh s VAL 256 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1huh s VAL 256 CO 0.05 0.05 0.18 -0.13 0.00 0.00 0.00 175.10 175.25 1huh s ARG 257 N 2.00 3.11 0.05 2.72 0.52 -0.50 -1.73 118.95 125.13 1huh s ARG 257 Ca 0.12 -0.72 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1huh s ARG 257 Cb -0.16 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 1huh s ARG 257 CO 0.11 0.52 -0.16 0.00 0.02 0.00 0.00 175.30 175.78 1huh s ALA 258 N -1.68 2.68 -2.11 2.13 0.00 -0.83 -0.67 121.76 121.29 1huh s ALA 258 Ca 0.32 -1.20 0.19 0.00 0.00 0.00 0.00 51.96 51.26 1huh s ALA 258 Cb -0.11 -0.77 0.52 0.00 0.00 0.00 0.00 23.12 22.75 1huh s ALA 258 CO 0.25 0.58 1.43 -1.13 0.00 0.00 0.00 175.76 176.89 1huh n SER 259 N 1.37 2.93 0.00 0.00 3.41 -0.52 -2.41 113.62 118.40 1huh n SER 259 Ca -0.16 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1huh n SER 259 Cb 0.52 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1huh n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10