#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daq s SER 2 N 0.00 -0.71 -0.46 1.61 0.15 -1.26 -5.11 113.70 107.92 2daq s SER 2 Ca 0.00 1.00 0.03 0.00 0.70 0.00 0.00 55.95 57.68 2daq s SER 2 Cb 0.00 1.74 0.15 0.00 -1.71 0.00 0.00 66.02 66.20 2daq s SER 2 CO 0.00 -0.14 0.30 -0.44 1.20 0.00 0.00 173.24 174.16 2daq s SER 3 N 2.39 3.18 -0.28 5.45 0.01 -1.26 -5.07 113.70 118.12 2daq s SER 3 Ca -0.04 -2.87 -0.14 0.00 1.31 0.00 0.00 55.95 54.21 2daq s SER 3 Cb -0.07 -0.89 0.09 0.00 0.21 0.00 0.00 66.02 65.37 2daq s SER 3 CO -0.18 -0.22 0.66 -0.83 0.41 0.00 0.00 173.24 173.08 2daq s GLY 4 N 0.09 -0.64 0.09 3.44 0.00 -1.26 -5.15 107.32 103.89 2daq s GLY 4 Ca 0.23 2.34 -0.30 0.00 0.00 0.00 0.00 44.72 46.98 2daq s GLY 4 CO -0.07 2.56 0.97 -0.56 0.00 0.00 0.00 173.10 176.00 2daq s SER 5 N 2.01 7.45 0.55 1.64 0.01 -1.26 -4.84 113.70 119.26 2daq s SER 5 Ca -0.09 1.78 0.00 0.00 1.31 0.00 0.00 55.95 58.95 2daq s SER 5 Cb -0.07 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2daq s SER 5 CO -0.19 -0.12 0.00 -1.20 0.41 0.00 0.00 173.24 172.13 2daq n SER 6 N 3.06 -7.94 0.00 2.44 7.64 -1.26 -5.07 113.62 112.48 2daq n SER 6 Ca 0.03 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2daq n SER 6 Cb 0.49 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 2daq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daq n GLY 7 N -4.29 3.22 3.73 0.23 0.00 -1.26 -5.04 105.19 101.78 2daq n GLY 7 Ca -0.07 -1.87 -0.62 0.00 0.00 0.00 0.00 46.02 43.47 2daq n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2daq n LYS 8 N -1.50 0.72 -1.35 1.61 5.02 -1.26 -4.76 118.16 116.64 2daq n LYS 8 Ca 0.00 0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 56.12 2daq n LYS 8 Cb 0.00 -1.88 -0.01 0.00 -0.02 0.00 0.00 35.03 33.12 2daq n LYS 8 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2daq n LEU 9 N 4.90 -1.98 -4.87 -0.35 4.32 -1.26 -4.92 117.00 112.84 2daq n LEU 9 Ca 0.28 0.90 -0.35 0.00 -0.02 0.00 0.00 56.01 56.82 2daq n LEU 9 Cb 0.06 -0.94 -0.05 0.00 -1.62 0.00 0.00 43.42 40.86 2daq n LEU 9 CO 0.85 -3.69 -0.01 -1.00 -1.22 0.00 0.00 177.39 172.31 2daq s HIS 10 N -1.50 3.60 1.11 -1.77 3.76 -1.26 -5.07 115.29 114.15 2daq s HIS 10 Ca 0.61 0.67 -0.19 0.00 -0.15 0.00 0.00 55.06 56.00 2daq s HIS 10 Cb -0.69 -2.06 0.10 0.00 1.11 0.00 0.00 32.58 31.03 2daq s HIS 10 CO 0.61 0.60 -0.06 0.66 -0.85 0.00 0.00 174.74 175.70 2daq n TYR 11 N 1.22 -1.59 -3.95 1.40 4.01 -1.26 -3.67 117.16 113.32 2daq n TYR 11 Ca -0.11 0.14 -0.36 0.00 -0.16 0.00 0.00 57.90 57.40 2daq n TYR 11 Cb 0.53 -1.51 0.01 0.00 -0.31 0.00 0.00 39.34 38.06 2daq n TYR 11 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2daq n LYS 12 N -1.77 -0.89 -3.72 -0.72 3.00 0.49 -4.91 118.16 109.64 2daq n LYS 12 Ca 0.01 0.41 -0.15 0.00 -0.00 0.00 0.00 58.31 58.58 2daq n LYS 12 Cb 0.59 -2.34 -0.15 0.00 0.00 0.00 0.00 35.03 33.13 2daq n LYS 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2daq s GLN 13 N -6.21 0.03 -0.06 1.64 0.74 -1.16 -4.91 119.66 109.73 2daq s GLN 13 Ca 0.24 0.39 -0.30 0.00 0.05 0.00 0.00 55.36 55.75 2daq s GLN 13 Cb -0.14 -0.26 -0.03 0.00 1.10 0.00 0.00 33.01 33.68 2daq s GLN 13 CO 0.94 -0.22 1.26 0.42 -0.55 0.00 0.00 175.29 177.13 2daq s ILE 14 N 1.58 4.14 0.21 -2.34 -1.09 -1.26 -0.40 121.20 122.03 2daq s ILE 14 Ca -0.04 1.46 -0.08 0.00 -2.23 0.00 0.00 60.65 59.76 2daq s ILE 14 Cb -0.12 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2daq s ILE 14 CO -0.05 -0.02 0.31 0.68 -1.23 0.00 0.00 174.94 174.63 2daq s VAL 15 N 2.49 0.02 0.38 2.92 -7.23 0.32 -3.04 120.40 116.27 2daq s VAL 15 Ca 0.58 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2daq s VAL 15 Cb -0.26 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2daq s VAL 15 CO 0.22 -0.08 0.61 0.26 -0.31 0.00 0.00 175.10 175.80 2daq s TRP 16 N -4.05 3.51 -0.06 2.82 0.52 0.15 -0.18 118.94 121.65 2daq s TRP 16 Ca 0.26 0.46 0.03 0.00 0.02 0.00 0.00 56.10 56.88 2daq s TRP 16 Cb 0.03 -2.01 0.01 0.00 -1.15 0.00 0.00 33.47 30.35 2daq s TRP 16 CO 0.08 0.01 -0.15 0.54 0.02 0.00 0.00 176.95 177.45 2daq s VAL 17 N -2.43 1.28 -0.75 4.03 0.11 0.10 -3.20 120.40 119.55 2daq s VAL 17 Ca 0.42 -0.59 -0.26 0.00 -2.93 0.00 0.00 61.98 58.62 2daq s VAL 17 Cb -0.10 -1.14 0.04 0.00 -1.53 0.00 0.00 36.38 33.65 2daq s VAL 17 CO 0.38 0.38 1.25 -0.75 -3.33 0.00 0.00 175.10 173.04 2daq s LYS 18 N 0.43 3.20 0.44 1.54 2.47 -1.25 -2.39 119.74 124.17 2daq s LYS 18 Ca -0.11 -0.35 -0.07 0.00 -1.56 0.00 0.00 55.97 53.87 2daq s LYS 18 Cb -0.14 -4.24 0.11 0.00 -1.46 0.00 0.00 37.83 32.10 2daq s LYS 18 CO 0.04 -2.12 0.29 1.28 0.16 0.00 0.00 175.35 175.00 2daq n LEU 19 N 9.17 0.00 0.00 5.43 7.99 0.36 -4.94 117.00 135.02 2daq n LEU 19 Ca 0.04 -0.29 0.00 0.00 -0.01 0.00 0.00 56.01 55.74 2daq n LEU 19 Cb 0.49 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2daq n LEU 19 CO 0.70 -1.80 0.00 0.61 -1.51 0.00 0.00 177.39 175.39 2daq n GLY 20 N -1.38 -0.50 2.63 -0.72 0.00 -1.26 -4.34 105.19 99.62 2daq n GLY 20 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2daq n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2daq n ASN 21 N -2.07 4.87 -2.98 1.61 3.02 -1.26 -4.61 115.26 113.84 2daq n ASN 21 Ca 0.00 -2.33 -0.16 0.00 -0.03 0.00 0.00 54.58 52.06 2daq n ASN 21 Cb 0.00 -1.10 0.02 0.00 -0.61 0.00 0.00 39.78 38.09 2daq n ASN 21 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2daq n TYR 22 N 4.29 -1.05 -3.77 3.10 4.02 -1.26 -4.99 117.16 117.50 2daq n TYR 22 Ca 0.45 0.44 -0.11 0.00 -0.01 0.00 0.00 57.90 58.66 2daq n TYR 22 Cb 0.14 -1.15 -0.08 0.00 -0.02 0.00 0.00 39.34 38.23 2daq n TYR 22 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2daq s ARG 23 N -1.43 0.79 -0.16 -0.72 0.52 -1.26 -4.99 118.95 111.71 2daq s ARG 23 Ca 0.15 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2daq s ARG 23 Cb -0.02 0.34 -0.00 0.00 0.52 0.00 0.00 34.95 35.79 2daq s ARG 23 CO 0.34 -0.25 -0.15 -1.58 0.02 0.00 0.00 175.30 173.68 2daq s TRP 24 N -2.59 2.78 -0.04 -0.53 0.52 -1.26 -0.48 118.94 117.34 2daq s TRP 24 Ca -0.05 -1.06 0.02 0.00 0.02 0.00 0.00 56.10 55.04 2daq s TRP 24 Cb -0.01 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.43 2daq s TRP 24 CO -0.04 -0.48 -0.09 -0.46 0.02 0.00 0.00 176.95 175.90 2daq s TRP 25 N 0.83 1.03 0.31 -1.98 -0.11 -1.01 -4.95 118.94 113.06 2daq s TRP 25 Ca -0.05 -0.29 -0.28 0.00 1.22 0.00 0.00 56.10 56.70 2daq s TRP 25 Cb -0.15 -0.75 -0.09 0.00 -1.50 0.00 0.00 33.47 30.97 2daq s TRP 25 CO -0.00 -0.14 1.07 -1.25 -4.62 0.00 0.00 176.95 172.01 2daq s PRO 26 N 0.36 4.52 0.19 5.86 0.04 -1.26 0.02 135.00 144.73 2daq s PRO 26 Ca -0.06 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 2daq s PRO 26 Cb -0.11 -3.01 0.04 0.00 0.04 0.00 0.00 34.50 31.47 2daq s PRO 26 CO 0.01 0.13 0.57 0.00 0.04 0.00 0.00 177.00 177.75 2daq s ALA 27 N -1.31 -1.19 -0.09 8.56 0.00 0.74 -3.00 121.76 125.48 2daq s ALA 27 Ca 0.48 0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.46 2daq s ALA 27 Cb -0.29 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.70 2daq s ALA 27 CO 0.36 -0.82 -0.12 -2.00 0.00 0.00 0.00 175.76 173.19 2daq s GLU 28 N -3.84 1.79 0.15 0.00 -6.30 -0.96 0.12 118.70 109.67 2daq s GLU 28 Ca 0.06 -0.41 -0.31 0.00 -2.50 0.00 0.00 54.97 51.81 2daq s GLU 28 Cb -0.02 -1.59 -0.11 0.00 0.00 0.00 0.00 34.13 32.42 2daq s GLU 28 CO -0.05 -0.08 1.81 -0.89 0.02 0.00 0.00 175.26 176.07 2daq n ILE 29 N 4.22 0.25 -3.86 -3.70 5.41 0.47 -2.13 119.36 120.02 2daq n ILE 29 Ca -0.19 -0.05 -0.25 0.00 1.00 0.00 0.00 62.75 63.27 2daq n ILE 29 Cb 0.51 -2.10 -0.02 0.00 -0.71 0.00 0.00 39.64 37.31 2daq n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2daq s ASN 31 N -4.18 6.35 0.46 0.00 -0.87 -1.26 -4.29 114.94 111.15 2daq s ASN 31 Ca 0.38 0.23 0.28 0.00 -1.57 0.00 0.00 52.86 52.18 2daq s ASN 31 Cb -0.01 -1.94 0.87 0.00 -0.02 0.00 0.00 41.25 40.15 2daq s ASN 31 CO 0.23 -0.01 1.79 1.55 -2.57 0.00 0.00 177.10 178.09 2daq h PRO 32 N 1.86 0.00 0.00 -0.60 0.13 -1.92 -2.67 132.00 128.79 2daq h PRO 32 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2daq h PRO 32 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2daq h PRO 32 CO 0.67 0.00 -0.65 0.00 -0.23 0.00 0.00 178.00 177.79 2daq h ARG 33 N 0.00 0.00 0.00 0.86 2.47 -1.98 -3.37 114.38 112.36 2daq h ARG 33 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2daq h ARG 33 Cb 0.72 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2daq h ARG 33 CO 0.00 0.00 -0.23 1.03 0.56 0.00 0.00 179.97 181.33 2daq h SER 34 N 0.00 0.00 -3.75 7.04 0.87 -1.89 -3.47 113.55 112.35 2daq h SER 34 Ca 0.00 -0.14 -0.54 0.00 -1.23 0.00 0.00 61.79 59.88 2daq h SER 34 Cb 0.81 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 62.97 2daq h SER 34 CO 0.00 0.69 -0.14 1.33 -0.53 0.00 0.00 176.83 178.18 2daq n VAL 35 N -4.69 0.91 -1.56 2.23 0.24 -1.04 -4.97 118.33 109.46 2daq n VAL 35 Ca -0.05 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 2daq n VAL 35 Cb 0.17 -0.87 0.09 0.00 -1.47 0.00 0.00 33.84 31.76 2daq n VAL 35 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2daq s PRO 36 N -3.79 2.16 0.35 7.34 0.04 -1.26 -4.80 135.00 135.04 2daq s PRO 36 Ca 0.65 0.66 0.10 0.00 0.04 0.00 0.00 61.00 62.45 2daq s PRO 36 Cb -0.26 -1.92 0.85 0.00 0.04 0.00 0.00 34.50 33.20 2daq s PRO 36 CO 0.59 -1.57 1.83 -0.07 0.04 0.00 0.00 177.00 177.82 2daq h LEU 37 N -1.06 0.65 -0.88 -3.56 -0.00 -1.93 -0.24 115.31 108.30 2daq h LEU 37 Ca -0.47 0.06 0.17 0.00 -0.00 0.00 0.00 57.88 57.64 2daq h LEU 37 Cb 1.26 -0.06 -0.16 0.00 -0.00 0.00 0.00 40.66 41.70 2daq h LEU 37 CO 0.59 0.28 -0.25 -1.13 -0.00 0.00 0.00 178.44 177.93 2daq h ASN 38 N 0.66 -0.93 0.29 -0.43 -0.73 -2.00 1.03 115.58 113.47 2daq h ASN 38 Ca 0.50 0.27 -0.01 0.00 1.87 0.00 0.00 56.30 58.92 2daq h ASN 38 Cb 0.89 0.58 0.00 0.00 0.27 0.00 0.00 38.32 40.06 2daq h ASN 38 CO -0.26 -0.29 -0.14 0.40 -0.37 0.00 0.00 177.43 176.77 2daq h ILE 39 N -0.01 0.49 -0.99 2.57 1.08 -1.42 -3.26 117.51 115.97 2daq h ILE 39 Ca 0.40 -0.84 0.20 0.00 -0.39 0.00 0.00 64.86 64.24 2daq h ILE 39 Cb 0.63 0.80 -0.19 0.00 -3.07 0.00 0.00 36.82 34.99 2daq h ILE 39 CO -0.90 0.12 -0.23 1.56 -0.69 0.00 0.00 178.15 178.01 2daq h GLN 40 N -0.96 0.00 -1.11 2.37 4.20 -0.42 1.46 115.11 120.65 2daq h GLN 40 Ca -0.04 -0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.01 2daq h GLN 40 Cb 0.49 -0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.14 2daq h GLN 40 CO 0.06 0.00 0.69 0.78 -0.67 0.00 0.00 178.83 179.69 2daq h GLY 41 N 0.00 1.56 -4.22 3.46 0.00 0.99 -3.42 103.07 101.44 2daq h GLY 41 Ca 0.48 -0.19 -0.62 0.00 0.00 0.00 0.00 47.33 47.00 2daq h GLY 41 CO -1.01 -0.34 -0.68 1.04 0.00 0.00 0.00 176.54 175.55 2daq n LEU 42 N -4.80 -1.54 -4.72 3.11 4.77 0.50 -4.89 117.00 109.43 2daq n LEU 42 Ca 0.31 0.88 -0.38 0.00 -0.03 0.00 0.00 56.01 56.79 2daq n LEU 42 Cb 1.08 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2daq n LEU 42 CO 0.18 -3.55 0.14 -0.54 -1.33 0.00 0.00 177.39 172.30 2daq s LYS 43 N -1.25 4.32 0.34 3.23 1.02 -1.26 -5.05 119.74 121.09 2daq s LYS 43 Ca 0.61 0.38 0.03 0.00 0.02 0.00 0.00 55.97 57.02 2daq s LYS 43 Cb -0.65 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.21 2daq s LYS 43 CO 0.60 0.16 0.38 -3.38 -0.92 0.00 0.00 175.35 172.19 2daq s HIS 44 N 0.64 1.48 0.28 3.18 -3.43 -1.26 -4.97 115.29 111.22 2daq s HIS 44 Ca 0.24 -1.53 0.08 0.00 -0.80 0.00 0.00 55.06 53.06 2daq s HIS 44 Cb -0.15 -0.44 -0.06 0.00 -1.43 0.00 0.00 32.58 30.51 2daq s HIS 44 CO 0.09 -1.01 -0.10 0.34 -2.00 0.00 0.00 174.74 172.06 2daq s ASP 45 N -3.33 3.08 0.03 7.38 2.15 -1.26 -5.08 116.67 119.64 2daq s ASP 45 Ca 0.36 -1.14 -0.36 0.00 0.43 0.00 0.00 52.55 51.84 2daq s ASP 45 Cb 0.01 -0.23 -0.14 0.00 -0.30 0.00 0.00 42.92 42.26 2daq s ASP 45 CO 0.25 -0.23 1.60 0.18 -0.17 0.00 0.00 175.17 176.80 2daq n LEU 46 N -0.61 2.68 0.00 -1.34 4.77 -1.26 -2.90 117.00 118.34 2daq n LEU 46 Ca -0.06 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.99 2daq n LEU 46 Cb 0.62 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2daq n LEU 46 CO 0.40 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 2daq n GLY 47 N 3.49 2.30 3.19 -0.72 0.00 -1.26 -5.07 105.19 107.12 2daq n GLY 47 Ca 0.20 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 2daq n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2daq n ASP 48 N 0.75 -4.23 -3.99 1.61 9.92 -1.14 -4.84 116.55 114.62 2daq n ASP 48 Ca 0.00 0.54 -0.08 0.00 -0.53 0.00 0.00 54.79 54.72 2daq n ASP 48 Cb 0.00 -0.83 -0.09 0.00 -0.64 0.00 0.00 41.12 39.56 2daq n ASP 48 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2daq s PHE 49 N -2.00 0.36 0.00 1.24 -0.12 -1.05 -4.86 117.98 111.55 2daq s PHE 49 Ca 0.53 -0.84 -0.30 0.00 -0.05 0.00 0.00 56.93 56.26 2daq s PHE 49 Cb -0.42 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 2daq s PHE 49 CO 0.70 -0.43 1.19 -1.25 -0.05 0.00 0.00 175.22 175.38 2daq s PRO 50 N -3.74 4.40 0.06 1.99 0.04 -1.26 -3.15 135.00 133.33 2daq s PRO 50 Ca 0.05 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.87 2daq s PRO 50 Cb 0.06 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2daq s PRO 50 CO -0.10 -0.34 -0.18 0.14 0.04 0.00 0.00 177.00 176.56 2daq s VAL 51 N 1.62 1.48 -0.23 -0.36 -7.23 -0.57 -0.43 120.40 114.67 2daq s VAL 51 Ca 0.57 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 59.43 2daq s VAL 51 Cb -0.27 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 2daq s VAL 51 CO 0.26 0.06 0.09 0.12 -0.31 0.00 0.00 175.10 175.32 2daq s PHE 52 N -0.93 3.17 -0.39 2.82 5.36 -0.91 -2.10 117.98 125.00 2daq s PHE 52 Ca 0.05 -0.14 -0.21 0.00 -0.96 0.00 0.00 56.93 55.66 2daq s PHE 52 Cb -0.09 -2.22 0.01 0.00 -0.34 0.00 0.00 43.02 40.38 2daq s PHE 52 CO 0.02 -0.15 0.68 -0.06 -1.46 0.00 0.00 175.22 174.25 2daq s PHE 53 N 1.25 3.10 1.01 10.12 0.40 -0.81 -2.28 117.98 130.78 2daq s PHE 53 Ca 0.05 0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 56.52 2daq s PHE 53 Cb -0.14 -3.29 0.17 0.00 0.51 0.00 0.00 43.02 40.27 2daq s PHE 53 CO 0.04 -0.75 0.94 1.19 0.70 0.00 0.00 175.22 177.35 2daq n PHE 54 N 6.23 -0.22 0.00 0.36 3.72 -1.16 0.62 117.46 127.01 2daq n PHE 54 Ca -0.00 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 2daq n PHE 54 Cb 0.48 -1.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.17 2daq n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2daq n GLY 55 N 0.76 1.29 0.07 1.37 0.00 -1.26 -4.18 105.19 103.24 2daq n GLY 55 Ca 0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2daq n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2daq h SER 56 N 0.00 0.00 -3.10 1.61 4.64 -1.89 -3.47 113.55 111.34 2daq h SER 56 Ca 0.00 -0.91 -0.00 0.00 -0.47 0.00 0.00 61.79 60.41 2daq h SER 56 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2daq h SER 56 CO 0.00 1.03 -0.01 1.41 -0.87 0.00 0.00 176.83 178.40 2daq n HIS 57 N -4.60 -0.12 -3.79 4.77 -0.00 0.20 -5.07 115.22 106.62 2daq n HIS 57 Ca -0.12 0.04 -0.13 0.00 -0.00 0.00 0.00 57.72 57.52 2daq n HIS 57 Cb 0.48 -1.78 -0.12 0.00 -0.00 0.00 0.00 29.99 28.58 2daq n HIS 57 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2daq s ASP 58 N -2.22 -0.25 -0.02 0.41 1.01 -1.23 -4.95 116.67 109.42 2daq s ASP 58 Ca 0.00 0.48 -0.10 0.00 0.71 0.00 0.00 52.55 53.65 2daq s ASP 58 Cb -0.00 0.49 -0.05 0.00 1.01 0.00 0.00 42.92 44.37 2daq s ASP 58 CO 0.03 -0.09 0.29 -0.31 0.21 0.00 0.00 175.17 175.31 2daq s TYR 59 N 0.17 3.63 0.08 4.23 2.02 -1.26 -1.92 117.35 124.31 2daq s TYR 59 Ca -0.00 0.72 -0.10 0.00 -0.37 0.00 0.00 57.07 57.32 2daq s TYR 59 Cb -0.02 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2daq s TYR 59 CO -0.00 0.65 0.22 0.71 -1.57 0.00 0.00 175.55 175.56 2daq s TYR 60 N -1.16 0.07 -0.21 2.71 2.02 -0.89 -4.94 117.35 114.94 2daq s TYR 60 Ca 0.23 -0.42 -0.07 0.00 -0.37 0.00 0.00 57.07 56.44 2daq s TYR 60 Cb -0.14 -0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 2daq s TYR 60 CO 0.12 -0.53 0.07 -1.58 -1.57 0.00 0.00 175.55 172.05 2daq s TRP 61 N -3.48 3.17 -0.10 2.71 0.52 -1.26 -1.51 118.94 118.98 2daq s TRP 61 Ca 0.02 -0.14 -0.11 0.00 0.02 0.00 0.00 56.10 55.90 2daq s TRP 61 Cb 0.03 -2.15 0.03 0.00 -1.15 0.00 0.00 33.47 30.22 2daq s TRP 61 CO -0.09 -0.08 0.29 0.14 0.02 0.00 0.00 176.95 177.23 2daq s VAL 62 N 0.95 0.01 0.67 4.03 -7.23 -1.19 -4.94 120.40 112.70 2daq s VAL 62 Ca 0.04 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.04 2daq s VAL 62 Cb -0.14 -0.43 0.17 0.00 0.56 0.00 0.00 36.38 36.54 2daq s VAL 62 CO 0.03 -0.03 0.38 0.00 -0.31 0.00 0.00 175.10 175.17 2daq n HIS 63 N 2.75 -2.71 -4.05 2.82 1.44 -1.26 -2.54 115.22 111.66 2daq n HIS 63 Ca -0.14 -0.34 -0.22 0.00 -2.01 0.00 0.00 57.72 55.01 2daq n HIS 63 Cb 0.58 -0.59 -0.05 0.00 0.12 0.00 0.00 29.99 30.05 2daq n HIS 63 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 2daq s GLN 64 N -3.78 2.75 0.00 -1.40 -2.07 -1.26 -4.57 119.66 109.32 2daq s GLN 64 Ca 0.30 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.63 2daq s GLN 64 Cb -0.05 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.41 2daq s GLN 64 CO 0.25 0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.92 2daq n GLY 65 N -1.19 2.87 0.11 2.60 0.00 -1.26 -4.82 105.19 103.49 2daq n GLY 65 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2daq n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2daq n ARG 66 N -0.10 0.26 -3.93 1.61 5.12 -1.26 -4.77 116.66 113.58 2daq n ARG 66 Ca 0.00 0.22 -0.34 0.00 -1.93 0.00 0.00 57.85 55.80 2daq n ARG 66 Cb 0.00 -1.81 -0.05 0.00 -1.16 0.00 0.00 32.46 29.44 2daq n ARG 66 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2daq s VAL 67 N -3.10 5.34 0.18 1.55 -7.23 -1.26 -3.96 120.40 111.92 2daq s VAL 67 Ca 0.11 -0.15 0.10 0.00 -1.81 0.00 0.00 61.98 60.22 2daq s VAL 67 Cb 0.12 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 2daq s VAL 67 CO 0.59 0.36 -0.16 -0.36 -0.31 0.00 0.00 175.10 175.23 2daq s PHE 68 N -1.27 2.50 -0.06 2.82 0.40 -1.19 -4.82 117.98 116.36 2daq s PHE 68 Ca 0.25 -0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 56.01 2daq s PHE 68 Cb -0.12 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 2daq s PHE 68 CO 0.16 0.50 1.22 -1.25 0.70 0.00 0.00 175.22 176.56 2daq s PRO 69 N -2.72 4.34 -0.28 0.24 0.04 -1.26 0.33 135.00 135.68 2daq s PRO 69 Ca 0.23 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 2daq s PRO 69 Cb -0.09 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.89 2daq s PRO 69 CO 0.13 -0.48 1.03 -0.47 0.04 0.00 0.00 177.00 177.25 2daq s TYR 70 N 2.34 3.23 0.30 0.56 6.14 -1.17 -4.90 117.35 123.85 2daq s TYR 70 Ca 0.56 1.27 -0.19 0.00 0.64 0.00 0.00 57.07 59.35 2daq s TYR 70 Cb -0.25 -3.48 -0.09 0.00 0.42 0.00 0.00 41.96 38.56 2daq s TYR 70 CO 0.22 -0.63 0.78 0.08 0.64 0.00 0.00 175.55 176.64 2daq s VAL 71 N 3.41 4.55 -1.12 3.14 1.01 -1.26 -4.97 120.40 125.16 2daq s VAL 71 Ca 0.44 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.61 2daq s VAL 71 Cb -0.13 -3.74 0.28 0.00 0.00 0.00 0.00 36.38 32.78 2daq s VAL 71 CO 0.11 -0.02 1.65 1.21 0.00 0.00 0.00 175.10 178.05 2daq n GLU 72 N 0.10 4.52 0.00 2.72 0.00 -1.26 -4.88 120.64 121.85 2daq n GLU 72 Ca 0.02 -4.36 0.00 0.00 0.00 0.00 0.00 57.16 52.82 2daq n GLU 72 Cb 0.52 -2.58 0.00 0.00 0.00 0.00 0.00 31.44 29.39 2daq n GLU 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2daq n GLY 73 N 1.33 0.13 1.41 8.31 0.00 -1.26 -5.16 105.19 109.96 2daq n GLY 73 Ca 0.33 -0.73 0.17 0.00 0.00 0.00 0.00 46.02 45.80 2daq n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2daq n ASP 74 N 0.00 -7.82 -3.47 1.61 2.03 -1.26 -4.14 116.55 103.49 2daq n ASP 74 Ca 0.00 1.22 -0.40 0.00 0.52 0.00 0.00 54.79 56.13 2daq n ASP 74 Cb 0.00 -4.73 -0.01 0.00 -0.72 0.00 0.00 41.12 35.66 2daq n ASP 74 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2daq n LYS 75 N -4.26 4.19 -0.72 -0.67 4.81 -1.26 -4.96 118.16 115.29 2daq n LYS 75 Ca -0.07 -3.07 -0.29 0.00 -0.87 0.00 0.00 58.31 54.01 2daq n LYS 75 Cb 0.67 -2.73 0.25 0.00 0.02 0.00 0.00 35.03 33.23 2daq n LYS 75 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2daq s SER 76 N 1.04 0.59 -0.70 3.14 1.04 -1.26 -4.98 113.70 112.56 2daq s SER 76 Ca 0.57 1.05 0.04 0.00 0.48 0.00 0.00 55.95 58.09 2daq s SER 76 Cb 0.17 -1.57 0.28 0.00 0.10 0.00 0.00 66.02 65.00 2daq s SER 76 CO -0.08 -4.38 0.92 0.33 0.98 0.00 0.00 173.24 171.02 2daq n PHE 77 N -4.99 3.51 0.08 5.02 7.35 -1.26 -4.69 117.46 122.47 2daq n PHE 77 Ca 0.08 -3.86 0.00 0.00 -0.76 0.00 0.00 57.45 52.92 2daq n PHE 77 Cb 0.58 -0.66 0.00 0.00 0.35 0.00 0.00 39.48 39.74 2daq n PHE 77 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2daq n ALA 78 N 0.68 0.00 -3.08 3.13 0.00 -1.26 -5.11 120.51 114.87 2daq n ALA 78 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.74 2daq n ALA 78 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 2daq n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2daq n GLU 79 N -2.87 -1.11 -1.82 0.00 1.02 -1.26 -4.60 120.64 110.00 2daq n GLU 79 Ca 0.00 1.25 -0.20 0.00 -0.02 0.00 0.00 57.16 58.18 2daq n GLU 79 Cb 0.00 -1.60 -0.06 0.00 -0.02 0.00 0.00 31.44 29.76 2daq n GLU 79 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2daq s GLY 80 N -0.77 -0.33 0.23 0.62 0.00 -1.26 -4.92 107.32 100.89 2daq s GLY 80 Ca -0.02 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.48 2daq s GLY 80 CO 0.12 3.86 0.38 1.62 0.00 0.00 0.00 173.10 179.08 2daq s GLN 81 N 7.87 3.47 -0.03 2.90 0.74 -1.26 -4.57 119.66 128.78 2daq s GLN 81 Ca 0.80 -0.56 -0.33 0.00 0.05 0.00 0.00 55.36 55.32 2daq s GLN 81 Cb -0.09 -2.86 -0.12 0.00 1.10 0.00 0.00 33.01 31.05 2daq s GLN 81 CO 0.05 0.39 1.85 -2.37 -0.55 0.00 0.00 175.29 174.66 2daq n THR 82 N -1.12 0.51 0.18 -0.34 5.66 -1.26 -4.69 114.28 113.21 2daq n THR 82 Ca -0.07 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 2daq n THR 82 Cb 0.55 -1.89 0.00 0.00 -1.55 0.00 0.00 70.33 67.44 2daq n THR 82 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2daq n SER 83 N 6.23 -1.75 -2.40 1.09 2.88 -1.26 -5.12 113.62 113.29 2daq n SER 83 Ca 0.21 0.64 -0.03 0.00 -1.33 0.00 0.00 58.87 58.36 2daq n SER 83 Cb 0.31 1.77 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 2daq n SER 83 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2daq n ILE 84 N -3.42 -8.79 0.18 2.46 -0.00 -1.26 -4.99 119.36 103.54 2daq n ILE 84 Ca 0.00 0.99 0.00 0.00 -0.00 0.00 0.00 62.75 63.74 2daq n ILE 84 Cb 0.00 -6.20 0.00 0.00 -0.00 0.00 0.00 39.64 33.44 2daq n ILE 84 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2daq n ASN 85 N 0.09 -3.30 -4.99 4.38 2.85 -1.26 -5.14 115.26 107.89 2daq n ASN 85 Ca 0.04 0.80 -0.19 0.00 -0.11 0.00 0.00 54.58 55.12 2daq n ASN 85 Cb 0.15 3.17 0.02 0.00 1.24 0.00 0.00 39.78 44.36 2daq n ASN 85 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2daq s LYS 86 N -2.00 2.82 -0.07 1.20 -0.14 -1.26 -5.04 119.74 115.24 2daq s LYS 86 Ca 0.00 -0.95 -0.25 0.00 -1.36 0.00 0.00 55.97 53.41 2daq s LYS 86 Cb 0.00 -2.65 -0.25 0.00 -1.68 0.00 0.00 37.83 33.24 2daq s LYS 86 CO 0.00 -0.36 0.95 1.15 -0.76 0.00 0.00 175.35 176.33 2daq h THR 87 N 0.46 1.60 -0.74 2.17 2.02 -1.99 -3.25 112.91 113.18 2daq h THR 87 Ca -0.42 -2.11 0.08 0.00 0.77 0.00 0.00 66.41 64.72 2daq h THR 87 Cb 1.28 2.97 -0.11 0.00 -1.74 0.00 0.00 68.15 70.55 2daq h THR 87 CO 0.50 0.57 -0.55 0.15 0.37 0.00 0.00 175.52 176.57 2daq h PHE 88 N -0.60 -1.72 -0.69 3.16 3.04 -1.96 0.45 116.94 118.63 2daq h PHE 88 Ca -0.04 0.11 0.15 0.00 3.98 0.00 0.00 57.97 62.17 2daq h PHE 88 Cb 1.09 0.85 -0.11 0.00 2.56 0.00 0.00 35.95 40.33 2daq h PHE 88 CO 0.20 -0.42 0.06 0.87 -2.02 0.00 0.00 178.31 177.00 2daq h LYS 89 N -0.17 0.15 -0.88 1.11 1.57 -1.96 1.07 116.57 117.46 2daq h LYS 89 Ca 0.14 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 2daq h LYS 89 Cb 0.50 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 2daq h LYS 89 CO -0.79 0.10 0.57 -0.22 -0.57 0.00 0.00 179.45 178.54 2daq h LYS 90 N 0.16 0.91 -0.12 3.15 3.64 -0.32 0.16 116.57 124.16 2daq h LYS 90 Ca 0.37 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 2daq h LYS 90 Cb 0.63 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2daq h LYS 90 CO -0.56 0.60 -0.25 0.00 -2.27 0.00 0.00 179.45 176.97 2daq h ALA 91 N 1.54 0.19 -0.36 5.00 0.00 0.38 -2.17 119.26 123.84 2daq h ALA 91 Ca 0.39 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2daq h ALA 91 Cb 0.28 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2daq h ALA 91 CO -0.15 0.17 -0.06 -0.07 0.00 0.00 0.00 179.25 179.14 2daq h LEU 92 N -0.05 -0.28 0.64 0.00 3.38 0.18 0.76 115.31 119.94 2daq h LEU 92 Ca 0.00 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2daq h LEU 92 Cb 0.85 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2daq h LEU 92 CO 0.06 -0.10 -0.49 -0.33 0.09 0.00 0.00 178.44 177.67 2daq h GLU 93 N 0.03 -1.05 -0.23 1.13 5.08 -0.73 -2.03 114.58 116.77 2daq h GLU 93 Ca 0.17 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2daq h GLU 93 Cb 0.26 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2daq h GLU 93 CO -0.35 -0.70 -0.21 0.93 -1.00 0.00 0.00 179.01 177.68 2daq h GLU 94 N -1.09 -0.21 -0.95 2.33 5.08 -0.97 -0.05 114.58 118.72 2daq h GLU 94 Ca -0.08 0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.58 2daq h GLU 94 Cb 0.91 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 30.04 2daq h GLU 94 CO 0.02 -0.14 0.21 0.00 -1.00 0.00 0.00 179.01 178.09 2daq h ALA 95 N 0.85 1.41 0.60 3.43 0.00 0.72 0.24 119.26 126.50 2daq h ALA 95 Ca 0.13 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2daq h ALA 95 Cb 0.43 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2daq h ALA 95 CO -0.36 -0.61 -0.42 0.00 0.00 0.00 0.00 179.25 177.86 2daq h ALA 96 N 1.91 -1.18 -0.28 0.00 0.00 -0.27 -1.57 119.26 117.87 2daq h ALA 96 Ca 0.63 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2daq h ALA 96 Cb 1.39 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 2daq h ALA 96 CO -0.79 -1.16 -0.17 1.17 0.00 0.00 0.00 179.25 178.30 2daq n LYS 97 N -5.06 -0.12 -0.33 0.00 3.00 0.74 -0.87 118.16 115.51 2daq n LYS 97 Ca -0.12 1.14 -0.09 0.00 -0.00 0.00 0.00 58.31 59.24 2daq n LYS 97 Cb 0.42 -1.70 -0.08 0.00 0.00 0.00 0.00 35.03 33.67 2daq n LYS 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2daq n ARG 98 N -3.63 -0.35 -0.37 1.64 5.12 -0.57 0.18 116.66 118.67 2daq n ARG 98 Ca 0.01 1.35 0.29 0.00 -1.93 0.00 0.00 57.85 57.56 2daq n ARG 98 Cb 0.07 -1.98 0.56 0.00 -1.16 0.00 0.00 32.46 29.95 2daq n ARG 98 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2daq h PHE 99 N 0.00 0.67 0.03 -1.55 3.57 0.02 1.41 116.94 121.10 2daq h PHE 99 Ca 0.13 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.43 2daq h PHE 99 Cb 0.33 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2daq h PHE 99 CO -0.96 -0.10 -0.99 1.96 -2.23 0.00 0.00 178.31 175.99 2daq h GLN 100 N 0.25 0.18 0.21 1.11 1.08 0.39 -3.15 115.11 115.20 2daq h GLN 100 Ca 0.72 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.66 2daq h GLN 100 Cb 1.97 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.48 2daq h GLN 100 CO -0.42 1.03 -0.10 0.93 -0.95 0.00 0.00 178.83 179.32 2daq h GLU 101 N 0.08 -0.28 -0.76 1.46 5.08 0.73 0.48 114.58 121.39 2daq h GLU 101 Ca -0.06 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2daq h GLU 101 Cb 1.68 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.86 2daq h GLU 101 CO 0.15 0.11 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.80 2daq h LEU 102 N -0.86 -1.41 -0.38 1.33 4.07 0.32 0.31 115.31 118.70 2daq h LEU 102 Ca -0.03 0.27 -0.12 0.00 0.08 0.00 0.00 57.88 58.08 2daq h LEU 102 Cb 0.51 0.69 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 2daq h LEU 102 CO 0.05 -0.30 -0.22 0.07 -1.08 0.00 0.00 178.44 176.96 2daq h LYS 103 N -0.11 0.82 -3.54 1.13 2.10 -1.61 -3.29 116.57 112.06 2daq h LYS 103 Ca 0.25 -0.37 -0.77 0.00 -2.00 0.00 0.00 60.65 57.76 2daq h LYS 103 Cb 0.56 -0.01 -0.20 0.00 -0.90 0.00 0.00 32.23 31.68 2daq h LYS 103 CO -0.81 1.01 1.46 0.00 -2.00 0.00 0.00 179.45 179.11 2daq n ALA 104 N -2.49 5.00 -3.15 0.07 0.00 0.17 -4.79 120.51 115.32 2daq n ALA 104 Ca -0.02 -4.47 0.05 0.00 0.00 0.00 0.00 53.44 49.00 2daq n ALA 104 Cb 0.44 -2.78 -0.00 0.00 0.00 0.00 0.00 19.45 17.11 2daq n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2daq s SER 105 N 0.47 -0.98 -0.11 0.00 0.15 -0.69 -4.52 113.70 108.02 2daq s SER 105 Ca 0.37 0.23 -0.03 0.00 0.70 0.00 0.00 55.95 57.22 2daq s SER 105 Cb 0.05 1.67 0.00 0.00 -1.71 0.00 0.00 66.02 66.03 2daq s SER 105 CO 0.03 -0.18 0.13 0.61 1.20 0.00 0.00 173.24 175.03 2daq n GLY 106 N 5.31 -0.76 3.05 9.45 0.00 -1.26 -4.99 105.19 115.99 2daq n GLY 106 Ca 0.04 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2daq n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2daq n PRO 107 N -0.60 -1.91 -1.46 1.61 -0.04 -1.26 -4.91 135.00 126.43 2daq n PRO 107 Ca 0.02 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 2daq n PRO 107 Cb 0.18 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2daq n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2daq n SER 108 N -4.12 -7.88 -2.71 3.54 7.64 -1.26 -4.92 113.62 103.90 2daq n SER 108 Ca 0.13 1.09 -0.06 0.00 1.01 0.00 0.00 58.87 61.04 2daq n SER 108 Cb 0.48 -3.98 0.01 0.00 -1.01 0.00 0.00 64.21 59.71 2daq n SER 108 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2daq n SER 109 N -0.20 -7.49 0.00 6.43 7.64 -1.26 -5.14 113.62 113.61 2daq n SER 109 Ca 0.00 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.55 2daq n SER 109 Cb 0.00 -5.03 0.00 0.00 -1.01 0.00 0.00 64.21 58.17 2daq n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64