#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0g n GLY 2 N 0.00 -0.67 3.54 3.17 0.00 -1.26 -4.93 105.19 105.04 1t0g n GLY 2 Ca 0.00 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1t0g n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t0g s HIS 3 N -1.81 2.48 -0.14 1.61 0.09 -1.26 -4.58 115.29 111.68 1t0g s HIS 3 Ca 0.02 -0.57 -0.10 0.00 -0.00 0.00 0.00 55.06 54.42 1t0g s HIS 3 Cb -0.01 -4.63 0.04 0.00 -0.00 0.00 0.00 32.58 27.98 1t0g s HIS 3 CO 0.11 -1.95 0.20 1.58 -0.00 0.00 0.00 174.74 174.68 1t0g n HIS 4 N 8.87 -4.16 -2.63 1.40 -0.00 -1.26 -5.04 115.22 112.40 1t0g n HIS 4 Ca 0.20 2.43 -0.22 0.00 0.46 0.00 0.00 57.72 60.59 1t0g n HIS 4 Cb 0.50 -3.72 0.07 0.00 -0.12 0.00 0.00 29.99 26.72 1t0g n HIS 4 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1t0g s HIS 5 N -0.59 2.28 -0.34 1.57 3.76 -1.26 -5.10 115.29 115.60 1t0g s HIS 5 Ca -0.23 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 54.57 1t0g s HIS 5 Cb 0.02 -2.82 0.19 0.00 1.11 0.00 0.00 32.58 31.07 1t0g s HIS 5 CO 0.63 -1.23 0.67 -3.38 -0.85 0.00 0.00 174.74 170.58 1t0g s HIS 6 N -2.91 -1.60 -0.49 1.40 -3.43 -1.26 -4.52 115.29 102.47 1t0g s HIS 6 Ca 0.61 0.64 0.06 0.00 -0.80 0.00 0.00 55.06 55.56 1t0g s HIS 6 Cb -0.08 0.28 0.20 0.00 -1.43 0.00 0.00 32.58 31.56 1t0g s HIS 6 CO 0.41 -1.00 0.47 1.58 -2.00 0.00 0.00 174.74 174.20 1t0g n HIS 7 N 4.90 0.60 0.00 0.38 -0.00 -1.26 -4.88 115.22 114.97 1t0g n HIS 7 Ca 0.08 -3.68 0.00 0.00 -0.00 0.00 0.00 57.72 54.12 1t0g n HIS 7 Cb 0.56 -0.18 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 1t0g n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1t0g n HIS 8 N 2.01 0.00 -4.27 1.57 -0.00 -1.26 -4.64 115.22 108.63 1t0g n HIS 8 Ca 0.26 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.80 1t0g n HIS 8 Cb 0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.38 1t0g n HIS 8 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1t0g n LEU 9 N 0.00 0.00 -4.35 2.41 4.77 -1.26 -5.04 117.00 113.53 1t0g n LEU 9 Ca 0.00 -2.80 -0.24 0.00 -0.03 0.00 0.00 56.01 52.94 1t0g n LEU 9 Cb 0.00 1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 42.39 1t0g n LEU 9 CO 0.00 -0.46 -0.51 -1.83 -1.33 0.00 0.00 177.39 173.26 1t0g s GLU 10 N -3.22 1.30 -0.06 3.23 -1.05 -0.35 -4.29 118.70 114.26 1t0g s GLU 10 Ca 0.33 -1.36 -0.06 0.00 -0.15 0.00 0.00 54.97 53.73 1t0g s GLU 10 Cb 0.02 -1.54 -0.04 0.00 -0.44 0.00 0.00 34.13 32.13 1t0g s GLU 10 CO 0.24 0.34 0.18 -2.00 0.95 0.00 0.00 175.26 174.97 1t0g s GLU 11 N -2.43 3.48 -0.05 -4.83 2.12 -1.26 -3.01 118.70 112.73 1t0g s GLU 11 Ca 0.14 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.38 1t0g s GLU 11 Cb -0.08 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 1t0g s GLU 11 CO 0.07 0.73 -0.23 -0.06 -0.54 0.00 0.00 175.26 175.23 1t0g s PHE 12 N -1.15 2.19 0.32 5.30 0.08 0.10 -4.87 117.98 119.94 1t0g s PHE 12 Ca 0.21 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.56 1t0g s PHE 12 Cb -0.13 -1.44 -0.07 0.00 -0.57 0.00 0.00 43.02 40.82 1t0g s PHE 12 CO 0.10 -0.17 0.65 0.99 -0.10 0.00 0.00 175.22 176.69 1t0g s THR 13 N -0.18 4.88 0.21 0.64 2.01 -1.26 0.11 115.64 122.05 1t0g s THR 13 Ca -0.01 0.45 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 1t0g s THR 13 Cb -0.12 -3.69 0.16 0.00 0.01 0.00 0.00 72.50 68.86 1t0g s THR 13 CO 0.02 -0.32 1.72 0.00 -0.69 0.00 0.00 174.62 175.36 1t0g h ALA 14 N 1.80 0.79 -0.74 7.40 0.00 -1.24 0.66 119.26 127.92 1t0g h ALA 14 Ca -0.47 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1t0g h ALA 14 Cb 1.18 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1t0g h ALA 14 CO 0.66 -0.25 0.42 0.93 0.00 0.00 0.00 179.25 181.01 1t0g h GLU 15 N 0.34 1.02 0.01 0.00 5.08 -1.94 -2.39 114.58 116.71 1t0g h GLU 15 Ca 0.32 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1t0g h GLU 15 Cb 0.45 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1t0g h GLU 15 CO -0.36 0.73 -0.54 1.96 -1.00 0.00 0.00 179.01 179.80 1t0g h GLN 16 N 1.03 0.35 -0.46 2.33 7.50 -1.50 -3.36 115.11 121.00 1t0g h GLN 16 Ca 0.26 -0.39 0.06 0.00 0.50 0.00 0.00 58.65 59.08 1t0g h GLN 16 Cb -0.00 0.11 -0.05 0.00 0.05 0.00 0.00 27.48 27.59 1t0g h GLN 16 CO -0.05 1.08 0.16 1.25 -1.50 0.00 0.00 178.83 179.77 1t0g h LEU 17 N -0.22 0.16 -0.90 1.46 7.12 0.49 -0.90 115.31 122.53 1t0g h LEU 17 Ca -0.07 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1t0g h LEU 17 Cb 1.28 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.45 1t0g h LEU 17 CO 0.11 0.12 0.00 -1.20 -0.13 0.00 0.00 178.44 177.34 1t0g n SER 18 N -5.01 0.48 0.15 1.25 7.64 -0.92 -0.57 113.62 116.63 1t0g n SER 18 Ca 0.04 0.68 0.12 0.00 1.01 0.00 0.00 58.87 60.72 1t0g n SER 18 Cb 0.18 -0.76 0.19 0.00 -1.01 0.00 0.00 64.21 62.81 1t0g n SER 18 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1t0g h GLN 19 N 0.00 0.00 -0.90 1.43 4.20 -1.29 -3.28 115.11 115.27 1t0g h GLN 19 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1t0g h GLN 19 Cb 0.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1t0g h GLN 19 CO 0.00 0.00 0.07 0.66 -0.67 0.00 0.00 178.83 178.89 1t0g n TYR 20 N -2.68 0.83 0.39 2.96 4.01 0.26 -4.01 117.16 118.92 1t0g n TYR 20 Ca 0.03 -0.46 0.14 0.00 -0.16 0.00 0.00 57.90 57.45 1t0g n TYR 20 Cb 0.50 -0.32 0.49 0.00 -0.31 0.00 0.00 39.34 39.70 1t0g n TYR 20 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 1t0g h ASN 21 N 1.10 0.00 0.00 7.72 7.08 -1.62 -3.21 115.58 126.65 1t0g h ASN 21 Ca 0.06 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 1t0g h ASN 21 Cb 1.20 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.44 1t0g h ASN 21 CO 0.23 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.19 1t0g n GLY 22 N 0.43 3.05 0.25 9.14 0.00 -1.26 -4.56 105.19 112.24 1t0g n GLY 22 Ca 0.03 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 0.83 -2.40 2.61 2.02 -1.89 -2.71 112.91 111.38 1t0g h THR 23 Ca 0.00 -0.57 -0.64 0.00 0.77 0.00 0.00 66.41 65.97 1t0g h THR 23 Cb 0.00 1.33 -0.15 0.00 -1.74 0.00 0.00 68.15 67.60 1t0g h THR 23 CO 0.00 0.15 0.77 -0.62 0.37 0.00 0.00 175.52 176.18 1t0g s ASP 24 N -6.55 6.37 -2.01 4.18 -1.08 -1.26 -4.17 116.67 112.14 1t0g s ASP 24 Ca -0.03 -1.39 0.00 0.00 -0.52 0.00 0.00 52.55 50.61 1t0g s ASP 24 Cb 0.14 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 1t0g s ASP 24 CO 0.64 -1.33 0.00 -0.62 0.52 0.00 0.00 175.17 174.37 1t0g n GLU 25 N 7.49 -1.54 -3.17 4.34 1.02 -1.26 -2.85 120.64 124.68 1t0g n GLU 25 Ca 0.10 1.13 -0.04 0.00 -0.02 0.00 0.00 57.16 58.33 1t0g n GLU 25 Cb 0.47 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.30 1t0g n GLU 25 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1t0g n SER 26 N -1.53 -7.35 -4.88 1.62 3.41 -1.03 -5.03 113.62 98.84 1t0g n SER 26 Ca -0.21 -0.20 -0.30 0.00 -0.26 0.00 0.00 58.87 57.90 1t0g n SER 26 Cb 0.67 -4.75 -0.01 0.00 -0.26 0.00 0.00 64.21 59.86 1t0g n SER 26 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1t0g s LYS 27 N -3.29 3.67 0.61 4.33 -0.14 -1.13 -5.01 119.74 118.76 1t0g s LYS 27 Ca 0.00 0.53 -0.19 0.00 -1.36 0.00 0.00 55.97 54.95 1t0g s LYS 27 Cb -0.00 -2.26 -0.03 0.00 -1.68 0.00 0.00 37.83 33.86 1t0g s LYS 27 CO 0.77 -0.29 1.23 -2.14 -0.76 0.00 0.00 175.35 174.17 1t0g s PRO 28 N -4.59 2.87 -0.19 -1.68 0.02 -1.26 -4.24 135.00 125.93 1t0g s PRO 28 Ca 0.52 1.90 -0.09 0.00 0.02 0.00 0.00 61.00 63.35 1t0g s PRO 28 Cb -0.10 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 1t0g s PRO 28 CO 0.43 -1.31 0.10 0.42 -0.33 0.00 0.00 177.00 176.31 1t0g s ILE 29 N -1.53 5.16 -0.02 2.83 1.09 -1.25 -4.56 121.20 122.92 1t0g s ILE 29 Ca 0.79 0.10 0.01 0.00 -1.10 0.00 0.00 60.65 60.45 1t0g s ILE 29 Cb -0.33 -3.34 0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1t0g s ILE 29 CO 0.35 0.45 -0.04 -0.31 -0.10 0.00 0.00 174.94 175.28 1t0g s TYR 30 N 0.37 0.58 0.27 3.97 2.02 -1.12 -1.05 117.35 122.41 1t0g s TYR 30 Ca 0.06 -0.13 0.10 0.00 -0.37 0.00 0.00 57.07 56.73 1t0g s TYR 30 Cb -0.12 -0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1t0g s TYR 30 CO -0.01 -0.10 -0.00 0.14 -1.57 0.00 0.00 175.55 174.00 1t0g s VAL 31 N 0.48 3.34 -0.03 0.71 -7.23 -0.49 -3.25 120.40 113.93 1t0g s VAL 31 Ca -0.06 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1t0g s VAL 31 Cb -0.09 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1t0g s VAL 31 CO -0.00 -0.36 -0.10 0.00 -0.31 0.00 0.00 175.10 174.33 1t0g s ALA 32 N -2.35 0.99 -0.22 1.32 0.00 -0.69 -0.65 121.76 120.17 1t0g s ALA 32 Ca 0.32 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1t0g s ALA 32 Cb -0.06 -0.38 0.06 0.00 0.00 0.00 0.00 23.12 22.74 1t0g s ALA 32 CO 0.20 0.15 -0.03 0.42 0.00 0.00 0.00 175.76 176.50 1t0g s ILE 33 N 0.27 1.23 -1.66 0.00 1.01 -0.12 -1.19 121.20 120.74 1t0g s ILE 33 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.60 1t0g s ILE 33 Cb -0.10 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1t0g s ILE 33 CO 0.01 -0.11 0.00 0.29 0.00 0.00 0.00 174.94 175.13 1t0g n LYS 34 N 4.79 -1.78 0.00 2.79 4.76 -1.26 -1.13 118.16 126.33 1t0g n LYS 34 Ca -0.11 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.27 1t0g n LYS 34 Cb 0.45 -5.59 0.00 0.00 -1.84 0.00 0.00 35.03 28.05 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 -0.97 1.79 3.60 0.72 0.00 -1.26 -5.00 105.19 104.06 1t0g n GLY 35 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.61 3.64 -0.26 1.61 0.52 -0.28 -1.11 118.95 122.46 1t0g s ARG 36 Ca 0.00 0.68 -0.19 0.00 -0.52 0.00 0.00 55.73 55.71 1t0g s ARG 36 Cb 0.00 -3.96 -0.03 0.00 0.52 0.00 0.00 34.95 31.48 1t0g s ARG 36 CO 0.00 -1.48 0.54 0.08 0.02 0.00 0.00 175.30 174.46 1t0g s VAL 37 N 4.90 5.05 -0.09 3.52 1.01 0.04 -0.95 120.40 133.88 1t0g s VAL 37 Ca 0.53 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 63.44 1t0g s VAL 37 Cb -0.10 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1t0g s VAL 37 CO 0.32 0.08 -0.01 -0.36 0.00 0.00 0.00 175.10 175.12 1t0g s PHE 38 N 2.32 3.11 -0.31 5.22 0.40 0.18 0.18 117.98 129.07 1t0g s PHE 38 Ca 0.23 0.11 -0.27 0.00 -0.60 0.00 0.00 56.93 56.40 1t0g s PHE 38 Cb -0.16 -1.80 0.01 0.00 0.51 0.00 0.00 43.02 41.59 1t0g s PHE 38 CO 0.09 0.39 0.98 0.34 0.70 0.00 0.00 175.22 177.72 1t0g s ASP 39 N -0.72 6.86 -0.16 1.36 2.15 -0.37 -1.40 116.67 124.39 1t0g s ASP 39 Ca 0.11 0.96 0.16 0.00 0.43 0.00 0.00 52.55 54.21 1t0g s ASP 39 Cb -0.12 -2.50 0.48 0.00 -0.30 0.00 0.00 42.92 40.49 1t0g s ASP 39 CO 0.02 -0.78 1.37 1.33 -0.17 0.00 0.00 175.17 176.95 1t0g n VAL 40 N 5.71 2.14 0.17 1.11 0.24 -0.21 -4.31 118.33 123.18 1t0g n VAL 40 Ca 0.09 -1.87 0.02 0.00 -2.04 0.00 0.00 64.34 60.55 1t0g n VAL 40 Cb 0.47 -0.20 0.34 0.00 -1.47 0.00 0.00 33.84 32.99 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 1.57 1.27 0.00 3.34 2.02 -1.84 -1.08 112.91 118.18 1t0g h THR 41 Ca 0.00 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 1t0g h THR 41 Cb 1.33 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1t0g h THR 41 CO 0.18 0.37 -0.13 0.00 0.37 0.00 0.00 175.52 176.30 1t0g h THR 42 N 0.04 0.35 -0.59 3.16 1.03 -1.90 -2.84 112.91 112.15 1t0g h THR 42 Ca 0.00 -0.86 -0.43 0.00 -0.01 0.00 0.00 66.41 65.11 1t0g h THR 42 Cb 0.66 1.65 -0.32 0.00 -1.07 0.00 0.00 68.15 69.07 1t0g h THR 42 CO 0.05 0.13 -0.61 0.61 -0.01 0.00 0.00 175.52 175.69 1t0g n GLY 43 N 0.06 6.04 0.32 2.99 0.00 -0.50 -4.77 105.19 109.34 1t0g n GLY 43 Ca 0.00 -2.29 0.11 0.00 0.00 0.00 0.00 46.02 43.84 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 1.87 0.18 -0.18 1.61 3.64 -1.07 -1.16 116.57 121.46 1t0g h LYS 44 Ca 0.30 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.73 1t0g h LYS 44 Cb 1.40 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 1t0g h LYS 44 CO 0.64 0.12 0.42 0.77 -2.27 0.00 0.00 179.45 179.13 1t0g h SER 45 N 0.19 0.00 0.01 4.20 0.02 -1.86 0.39 113.55 116.49 1t0g h SER 45 Ca 0.15 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.69 1t0g h SER 45 Cb 0.36 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1t0g h SER 45 CO -0.02 0.00 -2.41 0.49 -1.14 0.00 0.00 176.83 173.74 1t0g n PHE 46 N -3.22 0.14 0.00 3.45 3.01 -0.45 -2.62 117.46 117.78 1t0g n PHE 46 Ca 0.02 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1t0g n PHE 46 Cb 0.52 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 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 -3.74 0.00 1.19 1.38 4.02 -0.49 -2.81 117.16 116.70 1t0g n TYR 47 Ca -0.48 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.53 1t0g n TYR 47 Cb 0.94 -0.01 0.63 0.00 -0.02 0.00 0.00 39.34 40.88 1t0g n TYR 47 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1t0g n GLY 48 N 2.49 -1.10 0.00 2.72 0.00 -0.45 -2.67 105.19 106.19 1t0g n GLY 48 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1t0g n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t0g n SER 49 N -1.28 0.18 -0.00 1.61 2.88 0.12 -4.74 113.62 112.40 1t0g n SER 49 Ca 0.12 -1.09 0.06 0.00 -1.33 0.00 0.00 58.87 56.63 1t0g n SER 49 Cb 0.19 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.57 1t0g n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t0g n GLY 50 N -0.04 -0.40 5.00 0.46 0.00 -1.08 -4.72 105.19 104.41 1t0g n GLY 50 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1t0g n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t0g n GLY 51 N 1.53 0.92 0.28 -0.02 0.00 -1.13 -4.42 105.19 102.35 1t0g n GLY 51 Ca -0.00 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1t0g n GLY 51 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1t0g h ASP 52 N 0.00 0.00 -0.31 1.61 3.58 -1.84 -0.15 116.42 119.31 1t0g h ASP 52 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1t0g h ASP 52 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1t0g h ASP 52 CO 0.00 0.07 0.00 -1.22 -2.88 0.00 0.00 179.24 175.21 1t0g n TYR 53 N -3.66 0.41 1.04 0.28 4.02 -1.20 -4.51 117.16 113.54 1t0g n TYR 53 Ca -0.02 -0.33 0.13 0.00 -0.01 0.00 0.00 57.90 57.66 1t0g n TYR 53 Cb 0.18 -0.01 0.60 0.00 -0.02 0.00 0.00 39.34 40.09 1t0g n TYR 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1t0g n SER 54 N 0.84 0.00 0.05 7.72 2.88 -0.07 -2.37 113.62 122.67 1t0g n SER 54 Ca 0.13 0.25 0.02 0.00 -1.33 0.00 0.00 58.87 57.94 1t0g n SER 54 Cb 0.44 -0.41 0.36 0.00 -0.75 0.00 0.00 64.21 63.86 1t0g n SER 54 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1t0g h MET 55 N 0.00 0.40 -2.48 -1.46 2.86 -1.79 -2.66 114.93 109.80 1t0g h MET 55 Ca 0.00 -0.07 -0.70 0.00 -2.06 0.00 0.00 59.70 56.87 1t0g h MET 55 Cb 0.36 -0.06 -0.35 0.00 0.06 0.00 0.00 31.60 31.60 1t0g h MET 55 CO 0.00 0.44 0.06 1.97 1.06 0.00 0.00 176.91 180.44 1t0g n PHE 56 N -4.32 3.08 0.19 -0.22 -1.74 -1.00 -4.52 117.46 108.94 1t0g n PHE 56 Ca 0.01 -3.41 0.03 0.00 -0.56 0.00 0.00 57.45 53.53 1t0g n PHE 56 Cb 0.22 -0.87 -0.05 0.00 1.52 0.00 0.00 39.48 40.30 1t0g n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1t0g n ALA 57 N 0.83 2.64 -2.70 1.98 0.00 -1.00 -4.77 120.51 117.50 1t0g n ALA 57 Ca 0.30 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 1t0g n ALA 57 Cb 0.37 -0.25 0.09 0.00 0.00 0.00 0.00 19.45 19.65 1t0g n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0g n GLY 58 N 1.56 0.79 3.13 0.00 0.00 -1.20 -2.77 105.19 106.69 1t0g n GLY 58 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1t0g n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t0g s LYS 59 N 0.18 0.60 -0.45 1.61 -0.14 -1.26 -3.27 119.74 117.01 1t0g s LYS 59 Ca 0.19 -0.66 -0.22 0.00 -1.36 0.00 0.00 55.97 53.92 1t0g s LYS 59 Cb 0.32 0.24 0.03 0.00 -1.68 0.00 0.00 37.83 36.74 1t0g s LYS 59 CO -0.08 -0.16 0.73 0.34 -0.76 0.00 0.00 175.35 175.43 1t0g s ASP 60 N -1.99 6.38 -0.37 2.83 -1.08 -1.25 -1.70 116.67 119.49 1t0g s ASP 60 Ca -0.07 -0.21 0.07 0.00 -0.52 0.00 0.00 52.55 51.83 1t0g s ASP 60 Cb -0.02 -2.36 0.65 0.00 -1.46 0.00 0.00 42.92 39.72 1t0g s ASP 60 CO -0.03 -0.86 1.76 0.00 0.52 0.00 0.00 175.17 176.55 1t0g n ALA 61 N 6.53 4.90 -0.32 3.66 0.00 -0.34 -2.30 120.51 132.65 1t0g n ALA 61 Ca 0.01 -2.78 0.05 0.00 0.00 0.00 0.00 53.44 50.71 1t0g n ALA 61 Cb 0.48 -1.19 0.20 0.00 0.00 0.00 0.00 19.45 18.94 1t0g n ALA 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1t0g h SER 62 N 1.49 0.79 0.02 0.00 0.87 -1.67 0.12 113.55 115.17 1t0g h SER 62 Ca 0.41 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.84 1t0g h SER 62 Cb 2.38 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 64.22 1t0g h SER 62 CO 0.80 0.44 -0.60 -0.09 -0.53 0.00 0.00 176.83 176.84 1t0g h ARG 63 N 0.89 0.59 -0.10 2.24 2.43 -0.86 -3.25 114.38 116.32 1t0g h ARG 63 Ca 0.44 -0.40 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1t0g h ARG 63 Cb 0.40 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1t0g h ARG 63 CO -0.25 1.01 -0.57 0.00 -1.51 0.00 0.00 179.97 178.65 1t0g h ALA 64 N 0.90 0.85 -0.21 2.80 0.00 -1.31 -0.42 119.26 121.88 1t0g h ALA 64 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1t0g h ALA 64 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1t0g h ALA 64 CO 0.11 0.70 0.08 -0.07 0.00 0.00 0.00 179.25 180.07 1t0g h LEU 65 N 0.23 0.25 0.01 0.00 3.38 -0.87 0.26 115.31 118.57 1t0g h LEU 65 Ca -0.00 -0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 1t0g h LEU 65 Cb 1.07 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1t0g h LEU 65 CO 0.09 0.24 -1.88 0.61 0.09 0.00 0.00 178.44 177.59 1t0g n GLY 66 N -1.33 -0.95 0.14 0.83 0.00 -0.56 -3.61 105.19 99.70 1t0g n GLY 66 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 1t0g n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t0g h LYS 67 N 0.01 0.06 -4.47 1.61 1.79 -0.96 -3.43 116.57 111.18 1t0g h LYS 67 Ca -0.35 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 57.89 1t0g h LYS 67 Cb 2.06 0.01 0.12 0.00 -1.58 0.00 0.00 32.23 32.84 1t0g h LYS 67 CO 0.07 0.70 -0.52 -1.33 -1.08 0.00 0.00 179.45 177.28 1t0g n MET 68 N -3.77 -2.41 -4.13 3.15 2.81 0.85 -5.03 117.12 108.59 1t0g n MET 68 Ca -0.01 0.55 -0.13 0.00 -1.81 0.00 0.00 57.70 56.30 1t0g n MET 68 Cb 0.66 -4.39 -0.07 0.00 -0.71 0.00 0.00 33.22 28.71 1t0g n MET 68 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1t0g s SER 69 N -3.47 0.42 0.00 7.83 0.01 -0.86 -5.06 113.70 112.57 1t0g s SER 69 Ca 0.19 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1t0g s SER 69 Cb -0.02 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.72 1t0g s SER 69 CO 0.47 -1.05 0.02 2.29 0.41 0.00 0.00 173.24 175.38 1t0g n LYS 70 N -0.41 0.00 -2.12 12.44 2.85 -1.26 -4.49 118.16 125.17 1t0g n LYS 70 Ca 0.01 -0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.85 1t0g n LYS 70 Cb 0.63 -0.11 -0.02 0.00 -0.65 0.00 0.00 35.03 34.89 1t0g n LYS 70 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1t0g s ASN 71 N 0.00 6.72 0.67 -5.58 2.20 -1.26 -4.79 114.94 112.90 1t0g s ASN 71 Ca 0.00 2.66 0.39 0.00 -0.94 0.00 0.00 52.86 54.97 1t0g s ASN 71 Cb 0.00 -2.65 2.12 0.00 -2.00 0.00 0.00 41.25 38.72 1t0g s ASN 71 CO 0.00 -0.57 2.20 -0.08 -2.94 0.00 0.00 177.10 175.71 1t0g h GLU 72 N 3.28 0.00 -0.01 3.55 4.57 -1.95 0.21 114.58 124.24 1t0g h GLU 72 Ca -0.49 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.44 1t0g h GLU 72 Cb 1.23 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.83 1t0g h GLU 72 CO 0.65 0.00 -0.99 0.93 -1.18 0.00 0.00 179.01 178.42 1t0g h GLU 73 N 0.00 0.59 0.01 1.92 5.08 -2.03 -3.30 114.58 116.85 1t0g h GLU 73 Ca 0.00 -0.63 -0.27 0.00 -1.00 0.00 0.00 59.36 57.47 1t0g h GLU 73 Cb 0.26 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1t0g h GLU 73 CO -0.00 1.24 -1.46 0.22 -1.00 0.00 0.00 179.01 178.01 1t0g h ASP 74 N 0.34 0.03 -2.53 1.42 3.58 -1.03 -3.45 116.42 114.77 1t0g h ASP 74 Ca -0.11 -0.04 -0.53 0.00 0.42 0.00 0.00 57.03 56.77 1t0g h ASP 74 Cb 1.64 -0.01 0.03 0.00 1.72 0.00 0.00 39.33 42.71 1t0g h ASP 74 CO 0.19 1.04 1.12 -0.69 -2.88 0.00 0.00 179.24 178.01 1t0g s VAL 75 N -2.64 2.72 -0.24 2.25 1.01 -0.09 -4.38 120.40 119.03 1t0g s VAL 75 Ca -0.03 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1t0g s VAL 75 Cb 0.09 -3.08 0.17 0.00 0.00 0.00 0.00 36.38 33.55 1t0g s VAL 75 CO 0.82 -0.00 1.24 -0.55 0.00 0.00 0.00 175.10 176.62 1t0g s SER 76 N 2.99 -0.14 0.03 3.32 0.15 -0.97 -4.91 113.70 114.17 1t0g s SER 76 Ca 0.81 0.12 0.28 0.00 0.70 0.00 0.00 55.95 57.86 1t0g s SER 76 Cb -0.44 0.12 1.16 0.00 -1.71 0.00 0.00 66.02 65.15 1t0g s SER 76 CO 0.36 -0.15 1.89 -0.81 1.20 0.00 0.00 173.24 175.74 1t0g n PRO 77 N 0.44 0.03 -2.68 5.44 -0.04 -1.21 -0.42 135.00 136.56 1t0g n PRO 77 Ca -0.02 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 63.11 1t0g n PRO 77 Cb 0.58 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1t0g n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1t0g s SER 78 N -3.20 7.07 -0.68 3.54 0.15 -1.26 -4.67 113.70 114.64 1t0g s SER 78 Ca 0.13 1.92 0.02 0.00 0.70 0.00 0.00 55.95 58.73 1t0g s SER 78 Cb 0.18 -2.58 0.17 0.00 -1.71 0.00 0.00 66.02 62.08 1t0g s SER 78 CO 0.53 -0.27 0.48 -0.76 1.20 0.00 0.00 173.24 174.43 1t0g s LEU 79 N -2.36 4.90 -0.02 3.45 1.43 -1.26 -3.91 118.68 120.91 1t0g s LEU 79 Ca 0.54 -3.48 0.01 0.00 -1.03 0.00 0.00 54.13 50.18 1t0g s LEU 79 Cb -0.20 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1t0g s LEU 79 CO 0.25 -0.18 -0.05 -1.83 0.23 0.00 0.00 176.35 174.77 1t0g s GLU 80 N -0.95 0.53 0.00 1.70 -1.05 -1.26 -4.74 118.70 112.93 1t0g s GLU 80 Ca 0.22 -0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 1t0g s GLU 80 Cb -0.13 -0.54 0.00 0.00 -0.44 0.00 0.00 34.13 33.02 1t0g s GLU 80 CO -0.10 0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1t0g n GLY 81 N 3.32 0.68 3.05 -3.83 0.00 -1.26 -5.03 105.19 102.14 1t0g n GLY 81 Ca -0.17 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 1.71 0.00 0.99 1.43 -1.26 -4.98 118.68 116.56 1t0g s LEU 82 Ca 0.00 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1t0g s LEU 82 Cb 0.00 -1.00 0.14 0.00 0.03 0.00 0.00 46.19 45.36 1t0g s LEU 82 CO 0.00 0.03 0.94 0.35 0.23 0.00 0.00 176.35 177.90 1t0g n THR 83 N 3.98 0.00 -0.18 5.49 -2.24 -1.26 -4.80 114.28 115.28 1t0g n THR 83 Ca -0.20 -1.18 -0.05 0.00 -2.27 0.00 0.00 64.05 60.34 1t0g n THR 83 Cb 0.52 -1.16 0.05 0.00 -2.10 0.00 0.00 70.33 67.64 1t0g n THR 83 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1t0g h GLU 84 N 0.00 0.58 -0.36 -0.78 4.81 -2.00 0.10 114.58 116.92 1t0g h GLU 84 Ca -0.31 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1t0g h GLU 84 Cb 1.03 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 1t0g h GLU 84 CO 0.29 0.38 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.72 1t0g h LYS 85 N 0.59 0.09 -0.52 1.92 3.64 -1.98 0.33 116.57 120.64 1t0g h LYS 85 Ca 0.22 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1t0g h LYS 85 Cb 0.07 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1t0g h LYS 85 CO -0.12 0.06 -0.05 0.93 -2.27 0.00 0.00 179.45 177.99 1t0g h GLU 86 N 0.09 0.96 -0.40 1.90 5.08 -1.63 -0.16 114.58 120.43 1t0g h GLU 86 Ca 0.18 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1t0g h GLU 86 Cb 0.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1t0g h GLU 86 CO -0.30 1.00 -0.21 0.82 -1.00 0.00 0.00 179.01 179.32 1t0g h ILE 87 N 0.83 1.28 -0.95 3.13 2.04 -0.47 -2.90 117.51 120.47 1t0g h ILE 87 Ca 0.14 -1.35 0.19 0.00 1.00 0.00 0.00 64.86 64.85 1t0g h ILE 87 Cb 0.60 1.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.89 1t0g h ILE 87 CO 0.04 0.45 0.61 0.78 0.00 0.00 0.00 178.15 180.03 1t0g h ASN 88 N 0.65 0.58 -0.55 1.72 2.35 0.46 0.44 115.58 121.23 1t0g h ASN 88 Ca 0.09 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1t0g h ASN 88 Cb 0.77 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.06 1t0g h ASN 88 CO 0.06 0.23 0.32 0.74 -1.65 0.00 0.00 177.43 177.13 1t0g h THR 89 N 0.58 1.18 -0.09 2.81 2.02 -0.85 0.15 112.91 118.70 1t0g h THR 89 Ca 0.51 -0.42 -0.23 0.00 0.77 0.00 0.00 66.41 67.04 1t0g h THR 89 Cb 1.02 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1t0g h THR 89 CO -0.26 0.18 -0.85 0.25 0.37 0.00 0.00 175.52 175.22 1t0g h LEU 90 N 0.74 0.84 -1.02 2.58 5.85 -0.64 -1.44 115.31 122.22 1t0g h LEU 90 Ca 0.20 -0.59 0.11 0.00 0.84 0.00 0.00 57.88 58.44 1t0g h LEU 90 Cb 0.02 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 1t0g h LEU 90 CO -0.03 1.38 0.63 0.78 -0.34 0.00 0.00 178.44 180.86 1t0g h ASN 91 N 0.44 0.94 -0.17 1.25 -0.26 0.04 0.46 115.58 118.27 1t0g h ASN 91 Ca -0.07 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1t0g h ASN 91 Cb 1.48 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 38.59 1t0g h ASN 91 CO 0.17 0.51 0.07 -0.78 -1.06 0.00 0.00 177.43 176.34 1t0g h ASP 92 N 1.01 0.23 -0.52 5.81 3.58 -0.35 -2.56 116.42 123.63 1t0g h ASP 92 Ca 0.49 -0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.85 1t0g h ASP 92 Cb 0.45 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.38 1t0g h ASP 92 CO -0.25 0.33 0.16 -0.50 -2.88 0.00 0.00 179.24 176.10 1t0g h TRP 93 N 0.12 0.27 -0.53 0.28 4.06 0.03 -1.90 115.95 118.27 1t0g h TRP 93 Ca 0.06 0.03 0.11 0.00 2.06 0.00 0.00 58.89 61.14 1t0g h TRP 93 Cb 0.17 -0.04 -0.10 0.00 -1.00 0.00 0.00 29.16 28.19 1t0g h TRP 93 CO -0.01 0.06 -0.07 0.93 -3.56 0.00 0.00 178.44 175.79 1t0g h GLU 94 N 0.32 0.05 -0.31 0.49 5.08 -0.02 -0.80 114.58 119.39 1t0g h GLU 94 Ca 0.25 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1t0g h GLU 94 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1t0g h GLU 94 CO -0.28 0.03 0.21 1.15 -1.00 0.00 0.00 179.01 179.12 1t0g h THR 95 N 0.05 1.07 0.02 1.13 2.02 -0.95 0.31 112.91 116.56 1t0g h THR 95 Ca 0.26 -0.14 -0.18 0.00 0.77 0.00 0.00 66.41 67.13 1t0g h THR 95 Cb 0.41 0.62 0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1t0g h THR 95 CO -0.50 0.08 -0.70 0.11 0.37 0.00 0.00 175.52 174.87 1t0g h LYS 96 N 0.41 0.45 -0.51 6.66 1.79 -0.51 -2.71 116.57 122.15 1t0g h LYS 96 Ca 0.12 -0.50 -0.10 0.00 -2.18 0.00 0.00 60.65 57.99 1t0g h LYS 96 Cb -0.03 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1t0g h LYS 96 CO -0.03 1.16 -0.07 0.74 -1.08 0.00 0.00 179.45 180.17 1t0g h PHE 97 N -0.05 1.00 -0.45 -1.35 -1.00 -1.00 -0.98 116.94 113.10 1t0g h PHE 97 Ca -0.09 -0.18 0.13 0.00 2.81 0.00 0.00 57.97 60.64 1t0g h PHE 97 Cb 1.42 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 1t0g h PHE 97 CO 0.14 0.93 0.38 0.93 -1.61 0.00 0.00 178.31 179.08 1t0g h GLU 98 N 0.83 0.00 0.00 1.51 4.39 -0.27 0.26 114.58 121.30 1t0g h GLU 98 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1t0g h GLU 98 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1t0g h GLU 98 CO 0.04 0.00 -1.64 0.00 -1.16 0.00 0.00 179.01 176.24 1t0g n ALA 99 N -2.50 2.49 -0.09 3.43 0.00 -1.02 -4.64 120.51 118.17 1t0g n ALA 99 Ca 0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 1t0g n ALA 99 Cb 0.57 -0.46 -0.16 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.00 0.77 -4.19 0.00 4.01 -0.40 -4.99 118.16 111.35 1t0g n LYS 100 Ca -0.03 -0.02 -0.17 0.00 -0.51 0.00 0.00 58.31 57.57 1t0g n LYS 100 Cb 0.38 -1.51 -0.12 0.00 -0.51 0.00 0.00 35.03 33.27 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 -2.55 1.00 0.03 2.13 2.02 0.88 -5.04 117.35 115.81 1t0g s TYR 101 Ca -0.10 -0.41 -0.23 0.00 -0.37 0.00 0.00 57.07 55.96 1t0g s TYR 101 Cb 0.06 -0.59 -0.05 0.00 -0.40 0.00 0.00 41.96 40.98 1t0g s TYR 101 CO 0.81 0.01 0.69 -1.25 -1.57 0.00 0.00 175.55 174.24 1t0g s PRO 102 N -1.39 4.42 -0.54 -1.71 0.04 -1.26 -4.42 135.00 130.13 1t0g s PRO 102 Ca -0.03 0.92 -0.28 0.00 0.04 0.00 0.00 61.00 61.65 1t0g s PRO 102 Cb -0.09 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.11 1t0g s PRO 102 CO 0.01 0.33 1.48 0.08 0.04 0.00 0.00 177.00 178.95 1t0g s VAL 103 N -0.15 3.73 -2.51 -0.36 1.01 -1.26 -1.24 120.40 119.62 1t0g s VAL 103 Ca 0.35 0.63 0.24 0.00 0.00 0.00 0.00 61.98 63.21 1t0g s VAL 103 Cb -0.20 -4.31 0.44 0.00 0.00 0.00 0.00 36.38 32.32 1t0g s VAL 103 CO 0.20 -1.05 1.56 1.33 0.00 0.00 0.00 175.10 177.14 1t0g n VAL 104 N 6.95 0.13 -0.92 2.92 0.24 0.13 -4.96 118.33 122.82 1t0g n VAL 104 Ca 0.14 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1t0g n VAL 104 Cb 0.49 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1t0g n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t0g n GLY 105 N 1.23 -0.06 3.29 7.63 0.00 -1.20 -1.22 105.19 114.86 1t0g n GLY 105 Ca 0.17 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 1.22 -0.11 1.61 3.03 -1.17 -0.78 118.95 120.76 1t0g s ARG 106 Ca 0.00 -1.60 -0.08 0.00 2.03 0.00 0.00 55.73 56.09 1t0g s ARG 106 Cb 0.00 -0.50 -0.04 0.00 -1.03 0.00 0.00 34.95 33.37 1t0g s ARG 106 CO 0.00 -0.08 0.16 0.54 -1.13 0.00 0.00 175.30 174.79 1t0g s VAL 107 N -3.48 5.47 0.05 4.99 0.11 -0.27 -0.72 120.40 126.54 1t0g s VAL 107 Ca 0.25 0.27 0.08 0.00 -2.93 0.00 0.00 61.98 59.65 1t0g s VAL 107 Cb 0.05 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.45 1t0g s VAL 107 CO 0.06 0.61 -0.22 0.54 -3.33 0.00 0.00 175.10 172.76 1t0g s VAL 108 N -1.04 1.81 0.00 2.04 0.11 0.30 -4.82 120.40 118.80 1t0g s VAL 108 Ca 0.16 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.93 1t0g s VAL 108 Cb -0.12 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1t0g s VAL 108 CO 0.05 0.23 0.00 -0.24 -3.33 0.00 0.00 175.10 171.81