#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0g s GLY 2 N 0.00 1.66 0.00 3.03 0.00 -1.26 -5.02 107.32 105.73 1t0g s GLY 2 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1t0g s GLY 2 CO 0.00 -0.25 0.00 1.42 0.00 0.00 0.00 173.10 174.27 1t0g n HIS 3 N -3.51 0.00 -3.54 1.90 -0.00 -1.26 -5.01 115.22 103.79 1t0g n HIS 3 Ca 0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.57 1t0g n HIS 3 Cb 0.60 0.16 -0.15 0.00 -0.00 0.00 0.00 29.99 30.60 1t0g n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1t0g s HIS 4 N -1.86 0.11 0.22 4.41 3.76 -1.26 -5.11 115.29 115.55 1t0g s HIS 4 Ca 0.00 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.16 1t0g s HIS 4 Cb 0.00 -0.70 -0.09 0.00 1.11 0.00 0.00 32.58 32.90 1t0g s HIS 4 CO 0.00 -0.69 1.27 -3.38 -0.85 0.00 0.00 174.74 171.09 1t0g s HIS 5 N 2.17 3.29 -0.70 1.40 -3.43 -1.26 -3.90 115.29 112.87 1t0g s HIS 5 Ca 0.06 1.32 -0.04 0.00 -0.80 0.00 0.00 55.06 55.60 1t0g s HIS 5 Cb -0.16 -3.55 -0.04 0.00 -1.43 0.00 0.00 32.58 27.39 1t0g s HIS 5 CO -0.23 -1.64 0.61 1.58 -2.00 0.00 0.00 174.74 173.06 1t0g n HIS 6 N 2.31 -1.69 -3.85 0.38 -0.00 -1.26 -5.06 115.22 106.04 1t0g n HIS 6 Ca 0.05 0.59 -0.12 0.00 0.46 0.00 0.00 57.72 58.70 1t0g n HIS 6 Cb 0.43 -3.58 -0.10 0.00 -0.12 0.00 0.00 29.99 26.62 1t0g n HIS 6 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1t0g s HIS 7 N -3.25 -0.03 -0.13 1.57 4.02 -1.25 -5.05 115.29 111.17 1t0g s HIS 7 Ca 0.29 0.04 -0.19 0.00 1.02 0.00 0.00 55.06 56.22 1t0g s HIS 7 Cb -0.04 -0.01 -0.17 0.00 -1.02 0.00 0.00 32.58 31.34 1t0g s HIS 7 CO 0.50 -0.26 0.47 0.45 1.02 0.00 0.00 174.74 176.92 1t0g h HIS 8 N 4.58 0.00 -3.58 1.40 -0.00 -1.93 -3.42 115.15 112.20 1t0g h HIS 8 Ca -0.29 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.52 1t0g h HIS 8 Cb 1.19 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.53 1t0g h HIS 8 CO 0.55 0.71 0.95 -1.17 -0.00 0.00 0.00 177.93 178.97 1t0g s LEU 9 N -8.29 3.59 -0.02 2.43 1.98 -0.86 -3.10 118.68 114.40 1t0g s LEU 9 Ca -0.14 0.42 0.03 0.00 -2.89 0.00 0.00 54.13 51.54 1t0g s LEU 9 Cb -0.01 -3.47 0.00 0.00 0.66 0.00 0.00 46.19 43.37 1t0g s LEU 9 CO 0.46 -1.32 -0.09 -0.70 -1.89 0.00 0.00 176.35 172.81 1t0g s GLU 10 N 4.61 0.92 -0.36 1.98 2.12 -1.26 -4.95 118.70 121.76 1t0g s GLU 10 Ca 0.48 -0.31 -0.27 0.00 0.36 0.00 0.00 54.97 55.24 1t0g s GLU 10 Cb -0.08 -0.87 0.02 0.00 0.26 0.00 0.00 34.13 33.46 1t0g s GLU 10 CO 0.31 0.13 0.97 -2.00 -0.54 0.00 0.00 175.26 174.12 1t0g s GLU 11 N 0.13 3.89 -0.15 4.30 2.12 -1.26 -1.90 118.70 125.84 1t0g s GLU 11 Ca -0.02 0.69 -0.09 0.00 0.36 0.00 0.00 54.97 55.91 1t0g s GLU 11 Cb -0.08 -3.79 -0.05 0.00 0.26 0.00 0.00 34.13 30.48 1t0g s GLU 11 CO 0.00 -0.95 0.16 -0.06 -0.54 0.00 0.00 175.26 173.87 1t0g s PHE 12 N 3.55 3.52 0.07 5.30 0.08 0.01 -4.95 117.98 125.56 1t0g s PHE 12 Ca 0.40 0.48 -0.07 0.00 0.12 0.00 0.00 56.93 57.86 1t0g s PHE 12 Cb -0.12 -2.07 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 1t0g s PHE 12 CO 0.18 0.52 0.34 0.99 -0.10 0.00 0.00 175.22 177.16 1t0g s THR 13 N -0.39 5.19 0.24 0.64 2.01 -1.26 0.54 115.64 122.62 1t0g s THR 13 Ca 0.13 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1t0g s THR 13 Cb -0.12 -3.61 0.21 0.00 0.01 0.00 0.00 72.50 68.98 1t0g s THR 13 CO 0.02 0.25 1.80 0.00 -0.69 0.00 0.00 174.62 176.00 1t0g h ALA 14 N 3.56 1.14 -0.51 7.40 0.00 -0.90 0.39 119.26 130.35 1t0g h ALA 14 Ca -0.48 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1t0g h ALA 14 Cb 1.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1t0g h ALA 14 CO 0.68 0.07 0.28 0.93 0.00 0.00 0.00 179.25 181.21 1t0g h GLU 15 N 0.76 0.69 0.00 0.00 4.39 -1.95 -0.85 114.58 117.63 1t0g h GLU 15 Ca 0.39 -0.07 -0.23 0.00 0.34 0.00 0.00 59.36 59.79 1t0g h GLU 15 Cb 0.37 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1t0g h GLU 15 CO -0.25 0.51 -0.96 1.96 -1.16 0.00 0.00 179.01 179.11 1t0g h GLN 16 N 0.70 0.45 0.00 2.33 7.50 -1.34 -3.24 115.11 121.52 1t0g h GLN 16 Ca 0.18 -0.49 -0.07 0.00 0.50 0.00 0.00 58.65 58.77 1t0g h GLN 16 Cb 0.02 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 1t0g h GLN 16 CO -0.03 1.14 -0.33 1.25 -1.50 0.00 0.00 178.83 179.36 1t0g h LEU 17 N 0.25 0.00 0.00 1.46 5.85 0.36 -3.23 115.31 120.00 1t0g h LEU 17 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1t0g h LEU 17 Cb 1.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.63 1t0g h LEU 17 CO 0.17 0.33 0.00 -1.20 -0.34 0.00 0.00 178.44 177.40 1t0g n SER 18 N -3.80 0.00 -0.02 1.25 7.64 -0.39 -0.36 113.62 117.93 1t0g n SER 18 Ca -0.01 -0.41 0.05 0.00 1.01 0.00 0.00 58.87 59.51 1t0g n SER 18 Cb 0.41 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.49 1t0g n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t0g n GLN 19 N -0.57 0.67 -0.36 1.43 6.02 -1.22 -4.47 117.38 118.87 1t0g n GLN 19 Ca 0.01 -0.12 -0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1t0g n GLN 19 Cb 0.00 -1.38 0.13 0.00 1.02 0.00 0.00 30.24 30.02 1t0g n GLN 19 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1t0g n TYR 20 N -2.13 0.87 0.65 1.08 4.02 0.51 -3.55 117.16 118.60 1t0g n TYR 20 Ca -0.06 -0.44 0.13 0.00 -0.01 0.00 0.00 57.90 57.51 1t0g n TYR 20 Cb 0.51 -0.32 0.42 0.00 -0.02 0.00 0.00 39.34 39.93 1t0g n TYR 20 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1t0g n ASN 21 N 0.15 0.77 0.00 7.72 0.23 -1.26 -2.27 115.26 120.60 1t0g n ASN 21 Ca 0.13 0.57 0.00 0.00 -0.53 0.00 0.00 54.58 54.75 1t0g n ASN 21 Cb 0.68 -0.78 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 1t0g n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t0g n GLY 22 N 1.31 0.39 0.13 4.83 0.00 -1.23 -3.83 105.19 106.79 1t0g n GLY 22 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1t0g n GLY 22 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1t0g h THR 23 N 0.00 0.75 -1.56 2.61 2.02 -1.78 -3.25 112.91 111.69 1t0g h THR 23 Ca 0.00 -2.35 -0.42 0.00 0.77 0.00 0.00 66.41 64.41 1t0g h THR 23 Cb 0.00 2.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1t0g h THR 23 CO 0.00 0.80 1.19 -0.62 0.37 0.00 0.00 175.52 177.25 1t0g s ASP 24 N -7.05 5.05 -0.41 4.18 -1.08 -1.26 -2.85 116.67 113.26 1t0g s ASP 24 Ca -0.22 0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1t0g s ASP 24 Cb 0.06 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1t0g s ASP 24 CO 0.76 -2.61 0.00 -0.62 0.52 0.00 0.00 175.17 173.22 1t0g n GLU 25 N 9.07 -1.69 -3.26 4.34 1.02 -1.26 -2.41 120.64 126.45 1t0g n GLU 25 Ca 0.28 0.59 -0.13 0.00 -0.02 0.00 0.00 57.16 57.89 1t0g n GLU 25 Cb 0.51 -4.93 0.05 0.00 -0.02 0.00 0.00 31.44 27.05 1t0g n GLU 25 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1t0g n SER 26 N -0.92 -6.79 -4.85 1.62 2.88 -1.13 -5.03 113.62 99.40 1t0g n SER 26 Ca -0.04 -0.57 -0.29 0.00 -1.33 0.00 0.00 58.87 56.64 1t0g n SER 26 Cb 0.48 -4.95 0.10 0.00 -0.75 0.00 0.00 64.21 59.09 1t0g n SER 26 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1t0g s LYS 27 N -4.20 1.83 0.63 -1.46 1.02 -1.01 -4.97 119.74 111.58 1t0g s LYS 27 Ca 0.32 0.29 -0.18 0.00 0.02 0.00 0.00 55.97 56.42 1t0g s LYS 27 Cb -0.05 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1t0g s LYS 27 CO 0.76 -1.72 0.93 -2.30 -0.92 0.00 0.00 175.35 172.10 1t0g n PRO 28 N -3.44 0.78 -3.99 -1.68 -0.02 -1.26 -4.21 135.00 121.19 1t0g n PRO 28 Ca 0.07 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 1t0g n PRO 28 Cb 0.59 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.81 1t0g n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1t0g s ILE 29 N -1.58 4.26 -0.05 4.25 1.09 -1.25 -4.50 121.20 123.41 1t0g s ILE 29 Ca 0.76 -0.21 0.01 0.00 -1.10 0.00 0.00 60.65 60.11 1t0g s ILE 29 Cb -0.40 -2.94 0.02 0.00 -1.06 0.00 0.00 42.46 38.08 1t0g s ILE 29 CO 0.47 0.41 -0.04 -0.31 -0.10 0.00 0.00 174.94 175.38 1t0g s TYR 30 N 1.00 0.74 -0.04 3.97 2.02 -0.75 -1.49 117.35 122.81 1t0g s TYR 30 Ca 0.03 -0.21 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 1t0g s TYR 30 Cb -0.14 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1t0g s TYR 30 CO 0.02 -0.22 -0.11 0.08 -1.57 0.00 0.00 175.55 173.75 1t0g s VAL 31 N 1.11 3.34 -0.04 0.71 1.01 -0.28 -3.34 120.40 122.90 1t0g s VAL 31 Ca -0.08 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1t0g s VAL 31 Cb -0.14 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1t0g s VAL 31 CO -0.01 0.54 -0.24 0.00 0.00 0.00 0.00 175.10 175.39 1t0g s ALA 32 N -0.82 2.04 -0.15 5.51 0.00 -1.10 0.39 121.76 127.63 1t0g s ALA 32 Ca 0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1t0g s ALA 32 Cb -0.11 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.45 1t0g s ALA 32 CO 0.02 0.42 0.01 0.42 0.00 0.00 0.00 175.76 176.64 1t0g s ILE 33 N -0.25 0.54 -1.94 0.00 1.01 -0.35 -1.31 121.20 118.90 1t0g s ILE 33 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1t0g s ILE 33 Cb -0.12 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1t0g s ILE 33 CO 0.02 -0.02 0.00 0.29 0.00 0.00 0.00 174.94 175.23 1t0g n LYS 34 N 5.06 -1.48 -0.26 2.79 4.76 -1.26 -0.75 118.16 127.03 1t0g n LYS 34 Ca -0.09 1.10 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 1t0g n LYS 34 Cb 0.48 -5.56 0.00 0.00 -1.84 0.00 0.00 35.03 28.11 1t0g n LYS 34 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1t0g n GLY 35 N -0.74 0.81 3.54 0.72 0.00 -1.26 -4.98 105.19 103.28 1t0g n GLY 35 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1t0g n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t0g s ARG 36 N -0.63 3.40 -0.34 1.61 0.52 0.07 -0.99 118.95 122.60 1t0g s ARG 36 Ca 0.00 -0.11 -0.22 0.00 -0.52 0.00 0.00 55.73 54.88 1t0g s ARG 36 Cb 0.00 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1t0g s ARG 36 CO 0.00 -1.23 0.70 0.08 0.02 0.00 0.00 175.30 174.87 1t0g s VAL 37 N 3.52 4.84 -0.02 3.52 1.01 -0.12 -1.21 120.40 131.93 1t0g s VAL 37 Ca 0.31 0.83 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 1t0g s VAL 37 Cb -0.12 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1t0g s VAL 37 CO 0.22 -0.30 0.09 -0.36 0.00 0.00 0.00 175.10 174.75 1t0g s PHE 38 N 2.84 3.33 -0.21 5.22 0.08 0.16 0.10 117.98 129.51 1t0g s PHE 38 Ca 0.28 0.25 -0.24 0.00 0.12 0.00 0.00 56.93 57.34 1t0g s PHE 38 Cb -0.14 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1t0g s PHE 38 CO 0.14 0.57 0.77 0.34 -0.10 0.00 0.00 175.22 176.94 1t0g s ASP 39 N -1.63 6.82 -0.16 1.36 -1.08 -0.62 -1.13 116.67 120.24 1t0g s ASP 39 Ca 0.22 1.01 0.15 0.00 -0.52 0.00 0.00 52.55 53.42 1t0g s ASP 39 Cb -0.12 -2.42 0.34 0.00 -1.46 0.00 0.00 42.92 39.27 1t0g s ASP 39 CO 0.13 -0.41 1.18 1.33 0.52 0.00 0.00 175.17 177.92 1t0g n VAL 40 N 4.94 1.98 0.27 1.11 0.24 -0.56 -4.40 118.33 121.91 1t0g n VAL 40 Ca 0.03 -2.64 0.12 0.00 -2.04 0.00 0.00 64.34 59.81 1t0g n VAL 40 Cb 0.49 -0.22 0.74 0.00 -1.47 0.00 0.00 33.84 33.38 1t0g n VAL 40 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1t0g h THR 41 N 0.60 0.68 0.00 3.34 2.02 -1.87 -0.55 112.91 117.13 1t0g h THR 41 Ca -0.00 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1t0g h THR 41 Cb 1.02 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1t0g h THR 41 CO 0.00 0.09 -0.24 0.71 0.37 0.00 0.00 175.52 176.45 1t0g h THR 42 N 0.00 0.47 -0.97 3.16 1.35 -1.91 -3.17 112.91 111.84 1t0g h THR 42 Ca -0.00 -1.38 -0.64 0.00 -0.55 0.00 0.00 66.41 63.84 1t0g h THR 42 Cb 0.22 2.00 -0.34 0.00 -1.73 0.00 0.00 68.15 68.30 1t0g h THR 42 CO 0.01 0.23 0.27 0.61 -0.25 0.00 0.00 175.52 176.40 1t0g n GLY 43 N 0.69 6.05 0.37 5.82 0.00 -0.22 -4.73 105.19 113.17 1t0g n GLY 43 Ca 0.02 -2.45 0.09 0.00 0.00 0.00 0.00 46.02 43.68 1t0g n GLY 43 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1t0g h LYS 44 N 2.12 0.81 0.00 1.61 3.64 -1.51 0.74 116.57 123.98 1t0g h LYS 44 Ca 0.52 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1t0g h LYS 44 Cb 1.03 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1t0g h LYS 44 CO 1.29 0.54 0.00 0.77 -2.27 0.00 0.00 179.45 179.78 1t0g h SER 45 N 0.84 0.00 0.01 4.20 0.02 -1.85 0.38 113.55 117.16 1t0g h SER 45 Ca 0.45 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 61.01 1t0g h SER 45 Cb 0.55 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 1t0g h SER 45 CO -0.21 0.00 -2.42 0.49 -1.14 0.00 0.00 176.83 173.55 1t0g n PHE 46 N -2.32 0.15 0.00 3.45 3.01 0.14 -3.93 117.46 117.96 1t0g n PHE 46 Ca 0.01 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1t0g n PHE 46 Cb 0.15 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.61 1t0g n PHE 46 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1t0g n TYR 47 N -3.29 0.00 0.33 1.38 4.02 -0.51 -2.31 117.16 116.78 1t0g n TYR 47 Ca -0.44 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.59 1t0g n TYR 47 Cb 1.00 0.00 0.48 0.00 -0.02 0.00 0.00 39.34 40.80 1t0g n TYR 47 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1t0g h GLY 48 N 0.00 0.00 -6.97 2.72 0.00 -1.04 -3.27 103.07 94.50 1t0g h GLY 48 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1t0g h GLY 48 CO 0.00 0.00 -0.75 -0.56 0.00 0.00 0.00 176.54 175.23 1t0g s SER 49 N -5.40 3.63 -1.49 0.19 0.01 0.11 -4.09 113.70 106.66 1t0g s SER 49 Ca 0.04 -2.45 -0.10 0.00 1.31 0.00 0.00 55.95 54.75 1t0g s SER 49 Cb 0.08 -0.94 0.07 0.00 0.21 0.00 0.00 66.02 65.44 1t0g s SER 49 CO 0.55 -0.29 0.89 0.61 0.41 0.00 0.00 173.24 175.41 1t0g n GLY 50 N 3.77 -0.43 4.03 3.44 0.00 -1.26 -4.53 105.19 110.20 1t0g n GLY 50 Ca 0.08 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 1t0g n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t0g s GLY 51 N -3.59 1.79 0.33 -0.02 0.00 -1.23 -4.94 107.32 99.65 1t0g s GLY 51 Ca 0.49 -2.03 0.17 0.00 0.00 0.00 0.00 44.72 43.35 1t0g s GLY 51 CO 0.83 -1.65 1.60 -1.80 0.00 0.00 0.00 173.10 172.08 1t0g h ASP 52 N 0.29 0.00 -0.40 1.64 3.58 -1.85 -2.83 116.42 116.84 1t0g h ASP 52 Ca -0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1t0g h ASP 52 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1t0g h ASP 52 CO 0.42 0.45 0.00 -1.22 -2.88 0.00 0.00 179.24 176.01 1t0g n TYR 53 N -3.40 0.90 0.30 0.28 4.02 -0.98 -4.35 117.16 113.94 1t0g n TYR 53 Ca 0.01 -0.36 0.19 0.00 -0.01 0.00 0.00 57.90 57.72 1t0g n TYR 53 Cb 0.62 -0.16 0.86 0.00 -0.02 0.00 0.00 39.34 40.64 1t0g n TYR 53 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1t0g h SER 54 N 2.52 0.00 1.26 7.72 0.87 -1.44 -1.33 113.55 123.15 1t0g h SER 54 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1t0g h SER 54 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1t0g h SER 54 CO 0.14 0.00 -0.53 0.24 -0.53 0.00 0.00 176.83 176.14 1t0g h MET 55 N 0.00 0.00 0.00 2.24 2.86 -1.84 -3.20 114.93 114.99 1t0g h MET 55 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1t0g h MET 55 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1t0g h MET 55 CO 0.00 0.00 -1.45 1.19 1.06 0.00 0.00 176.91 177.71 1t0g n PHE 56 N -2.58 0.33 -0.34 -0.22 3.01 -0.56 -4.49 117.46 112.61 1t0g n PHE 56 Ca 0.03 0.09 0.22 0.00 1.01 0.00 0.00 57.45 58.80 1t0g n PHE 56 Cb 0.50 -0.58 0.46 0.00 -0.01 0.00 0.00 39.48 39.85 1t0g n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1t0g h ALA 57 N 2.18 2.04 -0.49 4.37 0.00 -1.39 -2.84 119.26 123.13 1t0g h ALA 57 Ca 0.00 0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1t0g h ALA 57 Cb 0.91 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.42 1t0g h ALA 57 CO 0.00 -0.51 -0.91 0.41 0.00 0.00 0.00 179.25 178.23 1t0g n GLY 58 N -1.38 1.68 3.12 0.00 0.00 -1.21 -1.80 105.19 105.60 1t0g n GLY 58 Ca 0.28 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1t0g n GLY 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t0g s LYS 59 N -2.47 0.29 -0.44 1.61 2.47 -1.07 -3.38 119.74 116.75 1t0g s LYS 59 Ca 0.24 0.30 -0.28 0.00 -1.56 0.00 0.00 55.97 54.66 1t0g s LYS 59 Cb 0.39 0.14 -0.00 0.00 -1.46 0.00 0.00 37.83 36.90 1t0g s LYS 59 CO -0.04 -0.04 1.57 0.34 0.16 0.00 0.00 175.35 177.35 1t0g s ASP 60 N 0.06 6.05 -0.35 1.43 -1.08 -1.26 -2.70 116.67 118.82 1t0g s ASP 60 Ca -0.01 0.79 0.07 0.00 -0.52 0.00 0.00 52.55 52.88 1t0g s ASP 60 Cb -0.02 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.49 1t0g s ASP 60 CO 0.00 -1.67 1.65 0.00 0.52 0.00 0.00 175.17 175.67 1t0g n ALA 61 N 9.83 4.77 -0.36 3.66 0.00 -0.43 -3.13 120.51 134.85 1t0g n ALA 61 Ca 0.18 -2.99 0.06 0.00 0.00 0.00 0.00 53.44 50.69 1t0g n ALA 61 Cb 0.48 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 19.13 1t0g n ALA 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1t0g h SER 62 N 1.12 0.93 -0.09 0.00 0.02 -1.62 0.29 113.55 114.20 1t0g h SER 62 Ca 0.37 0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 61.15 1t0g h SER 62 Cb 2.14 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 64.54 1t0g h SER 62 CO 0.67 0.52 -0.77 -0.09 -1.14 0.00 0.00 176.83 176.01 1t0g h ARG 63 N 1.01 0.74 -0.44 3.45 2.43 -0.63 -3.15 114.38 117.78 1t0g h ARG 63 Ca 0.48 -0.60 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 1t0g h ARG 63 Cb 0.42 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1t0g h ARG 63 CO -0.25 1.21 0.04 0.00 -1.51 0.00 0.00 179.97 179.46 1t0g h ALA 64 N 0.62 1.23 -0.16 2.80 0.00 -1.01 -0.47 119.26 122.28 1t0g h ALA 64 Ca -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1t0g h ALA 64 Cb 1.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1t0g h ALA 64 CO 0.16 0.51 0.08 -0.07 0.00 0.00 0.00 179.25 179.93 1t0g h LEU 65 N 0.67 0.19 0.00 0.00 3.38 -0.48 0.50 115.31 119.56 1t0g h LEU 65 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1t0g h LEU 65 Cb 0.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1t0g h LEU 65 CO 0.01 0.16 -1.11 0.61 0.09 0.00 0.00 178.44 178.20 1t0g n GLY 66 N -1.44 -1.34 0.02 0.83 0.00 -0.28 -2.94 105.19 100.04 1t0g n GLY 66 Ca -0.01 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1t0g n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t0g n LYS 67 N -2.41 0.36 -2.35 1.61 4.76 -0.63 -4.71 118.16 114.79 1t0g n LYS 67 Ca 0.00 -0.06 -0.20 0.00 -2.87 0.00 0.00 58.31 55.17 1t0g n LYS 67 Cb 0.52 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 1t0g n LYS 67 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1t0g n MET 68 N -1.99 -1.70 -3.79 1.97 2.81 0.17 -4.95 117.12 109.65 1t0g n MET 68 Ca 0.00 1.01 -0.29 0.00 -1.81 0.00 0.00 57.70 56.61 1t0g n MET 68 Cb 0.46 -5.66 -0.04 0.00 -0.71 0.00 0.00 33.22 27.28 1t0g n MET 68 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1t0g s SER 69 N -2.09 6.40 0.00 7.83 0.15 -1.04 -4.98 113.70 119.96 1t0g s SER 69 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1t0g s SER 69 Cb 0.00 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1t0g s SER 69 CO 0.00 0.06 0.48 0.29 1.20 0.00 0.00 173.24 175.27 1t0g n LYS 70 N -0.17 0.11 -4.02 5.44 4.76 -1.26 -4.78 118.16 118.24 1t0g n LYS 70 Ca -0.04 -0.58 -0.36 0.00 -2.87 0.00 0.00 58.31 54.46 1t0g n LYS 70 Cb 0.52 -0.83 -0.08 0.00 -1.84 0.00 0.00 35.03 32.80 1t0g n LYS 70 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1t0g s ASN 71 N -0.19 5.94 0.63 4.39 4.22 -1.26 -4.88 114.94 123.78 1t0g s ASN 71 Ca 0.00 0.30 0.34 0.00 -2.14 0.00 0.00 52.86 51.36 1t0g s ASN 71 Cb 0.00 -1.89 1.89 0.00 1.28 0.00 0.00 41.25 42.53 1t0g s ASN 71 CO 0.00 0.35 2.15 -0.33 -2.04 0.00 0.00 177.10 177.23 1t0g h GLU 72 N 5.43 0.00 -0.75 3.55 4.39 -1.95 0.31 114.58 125.57 1t0g h GLU 72 Ca -0.50 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.31 1t0g h GLU 72 Cb 1.20 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1t0g h GLU 72 CO 0.60 0.00 0.49 0.93 -1.16 0.00 0.00 179.01 179.88 1t0g h GLU 73 N 0.00 0.59 -0.00 2.33 5.08 -2.01 -2.63 114.58 117.94 1t0g h GLU 73 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t0g h GLU 73 Cb 0.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1t0g h GLU 73 CO -0.00 0.39 -0.40 -0.25 -1.00 0.00 0.00 179.01 177.75 1t0g n ASP 74 N -4.50 0.85 -4.61 1.42 8.00 0.04 -4.91 116.55 112.84 1t0g n ASP 74 Ca 0.13 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 1t0g n ASP 74 Cb 0.37 0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 42.21 1t0g n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1t0g s VAL 75 N -1.81 4.66 -0.02 2.53 1.01 -0.82 -2.92 120.40 123.03 1t0g s VAL 75 Ca 0.06 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 1t0g s VAL 75 Cb 0.09 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 32.30 1t0g s VAL 75 CO 0.38 -0.41 0.94 -0.44 0.00 0.00 0.00 175.10 175.56 1t0g s SER 76 N 1.74 -0.32 0.19 3.32 0.01 -1.25 -4.84 113.70 112.54 1t0g s SER 76 Ca 0.37 -0.02 0.20 0.00 1.31 0.00 0.00 55.95 57.80 1t0g s SER 76 Cb -0.13 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1t0g s SER 76 CO 0.16 -0.58 1.09 1.55 0.41 0.00 0.00 173.24 175.86 1t0g h PRO 77 N 2.00 0.00 -6.30 12.44 0.13 -1.91 0.28 132.00 138.65 1t0g h PRO 77 Ca -0.21 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.36 1t0g h PRO 77 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1t0g h PRO 77 CO 0.29 0.16 -0.17 -1.54 -0.23 0.00 0.00 178.00 176.52 1t0g s SER 78 N -5.75 6.65 -0.15 1.44 1.04 -1.26 -4.38 113.70 111.28 1t0g s SER 78 Ca 0.00 0.87 0.17 0.00 0.48 0.00 0.00 55.95 57.47 1t0g s SER 78 Cb 0.08 -2.20 0.40 0.00 0.10 0.00 0.00 66.02 64.40 1t0g s SER 78 CO 0.78 0.03 1.28 0.18 0.98 0.00 0.00 173.24 176.49 1t0g n LEU 79 N 0.31 3.09 0.19 2.42 4.77 -1.26 -4.31 117.00 122.20 1t0g n LEU 79 Ca -0.03 -3.02 0.14 0.00 -0.03 0.00 0.00 56.01 53.07 1t0g n LEU 79 Cb 0.52 -0.47 0.68 0.00 -2.33 0.00 0.00 43.42 41.82 1t0g n LEU 79 CO 0.45 0.69 0.91 1.05 -1.33 0.00 0.00 177.39 179.16 1t0g h GLU 80 N 0.89 0.00 -0.19 3.23 4.11 -2.02 0.90 114.58 121.50 1t0g h GLU 80 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1t0g h GLU 80 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1t0g h GLU 80 CO 0.11 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.60 1t0g n GLY 81 N -0.84 1.08 3.27 1.06 0.00 -1.26 -4.90 105.19 103.60 1t0g n GLY 81 Ca -0.01 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1t0g n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t0g s LEU 82 N -1.39 3.30 0.00 0.99 1.02 0.31 -5.04 118.68 117.87 1t0g s LEU 82 Ca 0.27 -0.69 -0.05 0.00 0.02 0.00 0.00 54.13 53.68 1t0g s LEU 82 Cb 0.17 -1.75 0.15 0.00 0.02 0.00 0.00 46.19 44.78 1t0g s LEU 82 CO 0.24 -0.12 0.94 1.07 0.02 0.00 0.00 176.35 178.51 1t0g n THR 83 N 4.76 0.00 -0.35 5.49 5.66 -1.26 -4.73 114.28 123.85 1t0g n THR 83 Ca -0.16 -1.16 0.10 0.00 -3.05 0.00 0.00 64.05 59.77 1t0g n THR 83 Cb 0.48 -1.18 0.28 0.00 -1.55 0.00 0.00 70.33 68.37 1t0g n THR 83 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1t0g h GLU 84 N 0.00 0.82 -0.96 1.09 4.81 -1.98 0.37 114.58 118.73 1t0g h GLU 84 Ca -0.31 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1t0g h GLU 84 Cb 1.03 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.15 1t0g h GLU 84 CO 0.29 0.54 0.61 1.57 -0.73 0.00 0.00 179.01 181.28 1t0g h LYS 85 N 0.84 1.05 0.06 1.92 2.10 -2.00 0.20 116.57 120.73 1t0g h LYS 85 Ca 0.54 -0.06 -0.15 0.00 -2.00 0.00 0.00 60.65 58.97 1t0g h LYS 85 Cb 0.73 -0.24 0.02 0.00 -0.90 0.00 0.00 32.23 31.83 1t0g h LYS 85 CO -0.34 0.69 -0.63 0.93 -2.00 0.00 0.00 179.45 178.10 1t0g h GLU 86 N 1.08 0.33 -0.90 0.07 4.39 -1.44 -3.24 114.58 114.87 1t0g h GLU 86 Ca 0.43 -0.43 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1t0g h GLU 86 Cb 0.22 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1t0g h GLU 86 CO -0.19 1.14 0.60 0.82 -1.16 0.00 0.00 179.01 180.22 1t0g h ILE 87 N -0.28 1.23 -1.00 3.13 2.04 -0.54 -2.71 117.51 119.38 1t0g h ILE 87 Ca -0.10 -0.42 0.24 0.00 1.00 0.00 0.00 64.86 65.59 1t0g h ILE 87 Cb 1.41 -0.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 1t0g h ILE 87 CO 0.12 0.22 0.64 0.78 0.00 0.00 0.00 178.15 179.92 1t0g h ASN 88 N 1.22 0.50 -0.17 1.72 2.35 -0.65 0.89 115.58 121.44 1t0g h ASN 88 Ca 0.33 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 56.13 1t0g h ASN 88 Cb -0.14 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1t0g h ASN 88 CO -0.07 0.13 0.01 0.74 -1.65 0.00 0.00 177.43 176.59 1t0g h THR 89 N 0.46 1.25 -0.21 2.81 2.02 -1.62 -1.90 112.91 115.71 1t0g h THR 89 Ca 0.57 -0.82 -0.16 0.00 0.77 0.00 0.00 66.41 66.77 1t0g h THR 89 Cb 1.33 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1t0g h THR 89 CO -0.29 0.25 -0.53 0.25 0.37 0.00 0.00 175.52 175.57 1t0g h LEU 90 N 0.06 0.68 -1.54 2.58 5.85 -0.72 -2.34 115.31 119.87 1t0g h LEU 90 Ca 0.05 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1t0g h LEU 90 Cb 0.36 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1t0g h LEU 90 CO 0.01 1.07 0.44 -1.13 -0.34 0.00 0.00 178.44 178.49 1t0g h ASN 91 N 0.47 0.46 0.04 1.25 -0.73 0.76 0.44 115.58 118.28 1t0g h ASN 91 Ca 0.01 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1t0g h ASN 91 Cb 1.08 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.58 1t0g h ASN 91 CO 0.10 0.28 -0.02 -0.78 -0.37 0.00 0.00 177.43 176.64 1t0g h ASP 92 N 0.51 -0.04 -0.78 1.15 3.58 -1.09 -3.33 116.42 116.42 1t0g h ASP 92 Ca 0.31 -0.45 0.10 0.00 0.42 0.00 0.00 57.03 57.41 1t0g h ASP 92 Cb 0.51 0.01 -0.07 0.00 1.72 0.00 0.00 39.33 41.50 1t0g h ASP 92 CO -0.10 0.44 0.42 -0.50 -2.88 0.00 0.00 179.24 176.62 1t0g h TRP 93 N -0.54 0.75 -0.77 0.28 4.06 -0.34 -2.03 115.95 117.36 1t0g h TRP 93 Ca -0.01 0.03 0.16 0.00 2.06 0.00 0.00 58.89 61.13 1t0g h TRP 93 Cb 0.49 -0.22 -0.10 0.00 -1.00 0.00 0.00 29.16 28.33 1t0g h TRP 93 CO 0.09 0.28 0.29 0.93 -3.56 0.00 0.00 178.44 176.47 1t0g h GLU 94 N 0.69 0.40 -0.12 0.49 5.08 -0.36 -0.45 114.58 120.31 1t0g h GLU 94 Ca 0.38 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.58 1t0g h GLU 94 Cb 0.40 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1t0g h GLU 94 CO -0.27 0.26 -0.52 1.15 -1.00 0.00 0.00 179.01 178.63 1t0g h THR 95 N 0.41 1.35 -0.02 1.13 2.02 -1.49 0.45 112.91 116.77 1t0g h THR 95 Ca 0.44 -1.79 -0.20 0.00 0.77 0.00 0.00 66.41 65.63 1t0g h THR 95 Cb 0.70 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1t0g h THR 95 CO -0.44 0.54 -0.85 0.11 0.37 0.00 0.00 175.52 175.25 1t0g h LYS 96 N 0.25 0.30 0.05 6.66 1.79 -0.76 -2.33 116.57 122.53 1t0g h LYS 96 Ca 0.01 -0.30 -0.12 0.00 -2.18 0.00 0.00 60.65 58.06 1t0g h LYS 96 Cb 1.01 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1t0g h LYS 96 CO 0.09 0.99 -0.57 0.74 -1.08 0.00 0.00 179.45 179.61 1t0g h PHE 97 N 0.18 0.18 0.00 -1.35 -1.00 -1.25 -3.25 116.94 110.44 1t0g h PHE 97 Ca -0.05 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.58 1t0g h PHE 97 Cb 1.46 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 41.01 1t0g h PHE 97 CO 0.04 1.22 -0.10 1.49 -1.61 0.00 0.00 178.31 179.35 1t0g h GLU 98 N -0.77 0.00 -0.01 1.51 4.22 -0.90 0.33 114.58 118.97 1t0g h GLU 98 Ca -0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.31 1t0g h GLU 98 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1t0g h GLU 98 CO 0.01 0.10 -0.65 0.00 -2.18 0.00 0.00 179.01 176.29 1t0g n ALA 99 N -2.44 3.96 -0.01 2.92 0.00 -0.88 -4.35 120.51 119.71 1t0g n ALA 99 Ca -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1t0g n ALA 99 Cb 0.18 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1t0g n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1t0g n LYS 100 N -0.64 1.74 -4.39 0.00 4.01 -0.74 -5.02 118.16 113.13 1t0g n LYS 100 Ca 0.07 -0.01 -0.25 0.00 -0.51 0.00 0.00 58.31 57.61 1t0g n LYS 100 Cb 0.41 -1.07 -0.13 0.00 -0.51 0.00 0.00 35.03 33.73 1t0g n LYS 100 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1t0g s TYR 101 N -2.14 1.87 -0.06 2.13 2.02 0.11 -5.07 117.35 116.21 1t0g s TYR 101 Ca -0.01 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.00 1t0g s TYR 101 Cb 0.01 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.51 1t0g s TYR 101 CO 0.12 0.20 0.94 -1.25 -1.57 0.00 0.00 175.55 173.98 1t0g s PRO 102 N -1.76 4.47 -0.62 -1.71 0.04 -1.26 -4.48 135.00 129.69 1t0g s PRO 102 Ca 0.08 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.15 1t0g s PRO 102 Cb -0.10 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1t0g s PRO 102 CO 0.04 -0.16 1.33 0.54 0.04 0.00 0.00 177.00 178.79 1t0g s VAL 103 N 1.46 3.82 -0.14 -0.36 0.11 -1.26 -1.59 120.40 122.45 1t0g s VAL 103 Ca 0.48 0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 60.07 1t0g s VAL 103 Cb -0.19 -4.63 -0.08 0.00 -1.53 0.00 0.00 36.38 29.95 1t0g s VAL 103 CO 0.22 -1.39 0.09 -0.37 -3.33 0.00 0.00 175.10 170.31 1t0g h VAL 104 N 6.24 0.42 -0.48 2.04 -1.51 -0.60 -3.48 116.25 118.89 1t0g h VAL 104 Ca -0.26 -1.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.80 1t0g h VAL 104 Cb 1.07 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1t0g h VAL 104 CO 1.21 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 178.30 1t0g n GLY 105 N 1.64 5.45 3.36 5.19 0.00 -1.07 -2.04 105.19 117.72 1t0g n GLY 105 Ca -0.10 -1.35 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 1t0g n GLY 105 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t0g s ARG 106 N 1.78 1.39 -0.04 1.61 1.70 -0.80 -0.95 118.95 123.64 1t0g s ARG 106 Ca 0.00 -1.68 0.05 0.00 -0.47 0.00 0.00 55.73 53.63 1t0g s ARG 106 Cb 0.00 -0.92 -0.01 0.00 -0.57 0.00 0.00 34.95 33.46 1t0g s ARG 106 CO 0.00 0.02 -0.20 0.54 -1.08 0.00 0.00 175.30 174.58 1t0g s VAL 107 N -3.17 1.64 0.05 4.99 0.11 -0.16 -0.81 120.40 123.04 1t0g s VAL 107 Ca 0.26 -0.84 0.08 0.00 -2.93 0.00 0.00 61.98 58.56 1t0g s VAL 107 Cb 0.03 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 1t0g s VAL 107 CO 0.09 0.46 -0.24 0.68 -3.33 0.00 0.00 175.10 172.76 1t0g s VAL 108 N -0.10 1.92 0.00 2.04 -7.23 0.19 -4.53 120.40 112.68 1t0g s VAL 108 Ca -0.02 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1t0g s VAL 108 Cb -0.12 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1t0g s VAL 108 CO 0.02 0.27 0.00 -0.24 -0.31 0.00 0.00 175.10 174.84