#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 -0.31 0.08 1.61 0.01 -1.26 -5.02 113.70 108.81 2daq s SER 2 Ca 0.00 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2daq s SER 2 Cb 0.00 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.54 2daq s SER 2 CO 0.00 -0.23 0.00 -0.24 0.41 0.00 0.00 173.24 173.18 2daq n SER 3 N 5.26 -9.27 -2.49 2.44 2.88 -1.26 -4.84 113.62 106.33 2daq n SER 3 Ca -0.10 1.67 -0.04 0.00 -1.33 0.00 0.00 58.87 59.07 2daq n SER 3 Cb 0.50 -5.11 0.01 0.00 -0.75 0.00 0.00 64.21 58.86 2daq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daq n GLY 4 N 1.83 -2.02 2.94 0.46 0.00 -1.26 -5.06 105.19 102.07 2daq n GLY 4 Ca 0.00 0.74 -0.15 0.00 0.00 0.00 0.00 46.02 46.62 2daq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2daq s SER 5 N -1.92 0.36 0.00 1.61 0.15 -1.26 -4.91 113.70 107.72 2daq s SER 5 Ca 0.13 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.23 2daq s SER 5 Cb -0.04 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2daq s SER 5 CO 0.59 -0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.61 2daq n SER 6 N 5.04 0.00 0.00 5.45 7.64 -1.26 -4.95 113.62 125.54 2daq n SER 6 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2daq n SER 6 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.00 2.30 1.56 0.23 0.00 -1.26 -5.16 105.19 102.86 2daq n GLY 7 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.64 -4.45 -2.02 1.61 5.02 -1.26 -4.89 118.16 111.53 2daq n LYS 8 Ca 0.00 3.29 -0.34 0.00 -2.02 0.00 0.00 58.31 59.24 2daq n LYS 8 Cb 0.00 -3.68 0.02 0.00 -0.02 0.00 0.00 35.03 31.36 2daq n LYS 8 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2daq s LEU 9 N -2.96 3.57 -0.00 -0.35 1.43 -1.26 -5.05 118.68 114.06 2daq s LEU 9 Ca 0.00 2.05 0.07 0.00 -1.03 0.00 0.00 54.13 55.22 2daq s LEU 9 Cb 0.00 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 2daq s LEU 9 CO 0.00 -1.38 -0.21 -1.00 0.23 0.00 0.00 176.35 173.99 2daq s HIS 10 N -2.10 1.89 1.00 0.29 3.76 -1.26 -5.12 115.29 113.76 2daq s HIS 10 Ca 0.69 -0.36 -0.19 0.00 -0.15 0.00 0.00 55.06 55.05 2daq s HIS 10 Cb -0.21 -1.20 -0.14 0.00 1.11 0.00 0.00 32.58 32.14 2daq s HIS 10 CO 0.34 -0.00 -0.87 0.66 -0.85 0.00 0.00 174.74 174.02 2daq n TYR 11 N 2.39 -3.97 -3.68 1.40 4.01 -1.26 -3.33 117.16 112.72 2daq n TYR 11 Ca -0.16 0.15 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 2daq n TYR 11 Cb 0.53 -1.45 0.04 0.00 -0.31 0.00 0.00 39.34 38.15 2daq n TYR 11 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2daq n LYS 12 N 2.07 -1.22 -3.75 -0.72 5.02 0.13 -4.96 118.16 114.73 2daq n LYS 12 Ca -0.01 0.46 -0.14 0.00 -2.02 0.00 0.00 58.31 56.59 2daq n LYS 12 Cb 0.60 -4.13 -0.15 0.00 -0.02 0.00 0.00 35.03 31.34 2daq n LYS 12 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2daq s GLN 13 N -5.97 0.05 -0.05 1.97 0.74 -1.14 -4.96 119.66 110.29 2daq s GLN 13 Ca 0.48 0.32 -0.30 0.00 0.05 0.00 0.00 55.36 55.91 2daq s GLN 13 Cb -0.17 -0.20 -0.02 0.00 1.10 0.00 0.00 33.01 33.71 2daq s GLN 13 CO 0.86 -0.17 1.03 0.42 -0.55 0.00 0.00 175.29 176.88 2daq s ILE 14 N 1.16 4.72 0.34 -2.34 -1.09 -1.26 -0.19 121.20 122.54 2daq s ILE 14 Ca -0.09 1.97 0.04 0.00 -2.23 0.00 0.00 60.65 60.34 2daq s ILE 14 Cb -0.12 -4.27 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 2daq s ILE 14 CO -0.05 0.06 0.36 0.68 -1.23 0.00 0.00 174.94 174.76 2daq s VAL 15 N 1.63 0.00 -0.11 2.92 -7.23 0.24 -2.90 120.40 114.96 2daq s VAL 15 Ca 0.51 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2daq s VAL 15 Cb -0.20 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2daq s VAL 15 CO 0.22 0.00 0.03 0.26 -0.31 0.00 0.00 175.10 175.31 2daq s TRP 16 N -3.25 3.25 -0.20 2.82 0.52 0.29 -0.82 118.94 121.55 2daq s TRP 16 Ca 0.37 0.22 -0.07 0.00 0.02 0.00 0.00 56.10 56.64 2daq s TRP 16 Cb 0.01 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 2daq s TRP 16 CO 0.26 0.46 0.05 0.08 0.02 0.00 0.00 176.95 177.81 2daq s VAL 17 N -0.70 4.50 -0.11 4.03 1.01 0.33 -2.73 120.40 126.72 2daq s VAL 17 Ca 0.11 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 2daq s VAL 17 Cb -0.12 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2daq s VAL 17 CO 0.02 0.43 0.75 -0.75 0.00 0.00 0.00 175.10 175.55 2daq s LYS 18 N 0.73 4.37 -0.06 2.72 2.20 -1.26 -1.78 119.74 126.66 2daq s LYS 18 Ca 0.02 0.92 -0.06 0.00 -0.36 0.00 0.00 55.97 56.49 2daq s LYS 18 Cb -0.14 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 2daq s LYS 18 CO 0.02 -0.11 -0.13 1.28 -0.36 0.00 0.00 175.35 176.05 2daq n LEU 19 N 4.44 1.01 0.00 5.43 4.77 -1.26 -4.99 117.00 126.40 2daq n LEU 19 Ca 0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2daq n LEU 19 Cb 0.50 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2daq n LEU 19 CO 0.47 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2daq n GLY 20 N 2.51 3.31 1.92 -0.72 0.00 -1.24 -5.11 105.19 105.86 2daq n GLY 20 Ca -0.14 -0.59 0.17 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 -7.75 0.33 1.61 3.02 -1.26 -3.10 115.26 108.11 2daq n ASN 21 Ca 0.00 1.30 0.15 0.00 -0.03 0.00 0.00 54.58 56.00 2daq n ASN 21 Cb 0.00 -3.70 0.80 0.00 -0.61 0.00 0.00 39.78 36.27 2daq n ASN 21 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2daq h TYR 22 N -1.12 0.00 -3.94 3.10 -0.00 -2.06 -3.41 116.97 109.54 2daq h TYR 22 Ca 0.02 0.00 -0.50 0.00 0.00 0.00 0.00 58.73 58.26 2daq h TYR 22 Cb 1.11 0.00 0.04 0.00 0.00 0.00 0.00 36.73 37.87 2daq h TYR 22 CO 0.00 0.00 0.47 0.50 -0.00 0.00 0.00 178.16 179.13 2daq s ARG 23 N -4.09 4.14 0.17 0.10 3.52 -1.18 -5.04 118.95 116.57 2daq s ARG 23 Ca -0.03 1.72 0.03 0.00 -0.13 0.00 0.00 55.73 57.32 2daq s ARG 23 Cb 0.08 -2.67 -0.01 0.00 -1.56 0.00 0.00 34.95 30.80 2daq s ARG 23 CO 0.27 -0.22 0.16 0.91 -0.81 0.00 0.00 175.30 175.61 2daq n TRP 24 N 0.11 -0.50 -3.65 5.12 7.02 -1.26 -3.72 117.44 120.55 2daq n TRP 24 Ca 0.04 -1.37 -0.07 0.00 -1.02 0.00 0.00 57.50 55.08 2daq n TRP 24 Cb 0.47 0.17 -0.07 0.00 -2.42 0.00 0.00 31.31 29.46 2daq n TRP 24 CO 0.00 0.00 0.00 -0.46 -2.02 0.00 0.00 177.69 175.21 2daq s TRP 25 N -2.92 -1.01 0.56 -5.99 -0.11 -0.73 -4.93 118.94 103.80 2daq s TRP 25 Ca 0.19 2.01 -0.17 0.00 1.22 0.00 0.00 56.10 59.35 2daq s TRP 25 Cb 0.01 0.59 -0.05 0.00 -1.50 0.00 0.00 33.47 32.52 2daq s TRP 25 CO 0.13 -0.51 1.05 -1.25 -4.62 0.00 0.00 176.95 171.75 2daq s PRO 26 N 1.73 3.48 0.18 5.86 0.04 -1.26 0.12 135.00 145.15 2daq s PRO 26 Ca -0.09 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 61.92 2daq s PRO 26 Cb -0.06 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.48 2daq s PRO 26 CO -0.19 -0.68 0.83 0.00 0.04 0.00 0.00 177.00 177.00 2daq s ALA 27 N -2.38 -1.52 -0.05 8.56 0.00 0.00 -3.39 121.76 122.99 2daq s ALA 27 Ca 0.64 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.72 2daq s ALA 27 Cb -0.15 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.70 2daq s ALA 27 CO 0.33 -0.98 -0.05 -2.00 0.00 0.00 0.00 175.76 173.06 2daq s GLU 28 N -3.53 0.92 0.20 0.00 -6.30 -1.04 0.82 118.70 109.77 2daq s GLU 28 Ca 0.10 -0.13 -0.31 0.00 -2.50 0.00 0.00 54.97 52.12 2daq s GLU 28 Cb -0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 34.13 33.09 2daq s GLU 28 CO 0.01 -0.08 1.63 0.42 0.02 0.00 0.00 175.26 177.26 2daq s ILE 29 N 0.92 2.32 0.49 -3.70 1.01 0.73 -1.43 121.20 121.54 2daq s ILE 29 Ca -0.11 0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.82 2daq s ILE 29 Cb -0.14 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 2daq s ILE 29 CO 0.00 0.02 0.19 0.00 0.00 0.00 0.00 174.94 175.15 2daq s ASN 31 N -4.01 6.21 0.49 0.00 -0.87 -1.26 -4.07 114.94 111.41 2daq s ASN 31 Ca 0.26 0.08 0.28 0.00 -1.57 0.00 0.00 52.86 51.92 2daq s ASN 31 Cb 0.01 -1.82 0.87 0.00 -0.02 0.00 0.00 41.25 40.29 2daq s ASN 31 CO 0.15 0.01 1.80 1.55 -2.57 0.00 0.00 177.10 178.04 2daq h PRO 32 N 1.79 0.00 0.00 -0.60 0.13 -1.91 -2.55 132.00 128.85 2daq h PRO 32 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2daq h PRO 32 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2daq h PRO 32 CO 0.65 0.00 -0.38 0.00 -0.23 0.00 0.00 178.00 178.04 2daq h ARG 33 N 0.00 0.00 0.00 0.86 2.47 -1.99 -3.35 114.38 112.37 2daq h ARG 33 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 2daq h ARG 33 Cb 0.74 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.05 2daq h ARG 33 CO 0.00 0.00 -0.69 1.03 0.56 0.00 0.00 179.97 180.87 2daq h SER 34 N 0.00 0.00 -4.20 7.04 0.87 -1.89 -3.47 113.55 111.90 2daq h SER 34 Ca 0.00 -0.29 -0.53 0.00 -1.23 0.00 0.00 61.79 59.74 2daq h SER 34 Cb 0.76 0.00 0.19 0.00 -0.44 0.00 0.00 62.40 62.92 2daq h SER 34 CO 0.00 1.03 0.25 1.33 -0.53 0.00 0.00 176.83 178.91 2daq n VAL 35 N -4.56 1.10 -1.67 2.23 0.24 -0.99 -4.98 118.33 109.70 2daq n VAL 35 Ca -0.16 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.34 61.71 2daq n VAL 35 Cb 0.41 -1.09 0.04 0.00 -1.47 0.00 0.00 33.84 31.73 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 -4.31 3.03 0.34 7.34 0.04 -1.26 -4.79 135.00 135.39 2daq s PRO 36 Ca 0.70 1.00 0.12 0.00 0.04 0.00 0.00 61.00 62.86 2daq s PRO 36 Cb -0.26 -2.00 0.95 0.00 0.04 0.00 0.00 34.50 33.23 2daq s PRO 36 CO 0.54 -1.03 1.74 -0.07 0.04 0.00 0.00 177.00 178.22 2daq h LEU 37 N -0.48 0.61 -0.96 -3.56 -0.00 -1.93 0.34 115.31 109.33 2daq h LEU 37 Ca -0.44 0.12 0.29 0.00 -0.00 0.00 0.00 57.88 57.85 2daq h LEU 37 Cb 1.21 0.03 -0.17 0.00 -0.00 0.00 0.00 40.66 41.73 2daq h LEU 37 CO 0.57 0.10 0.20 0.78 -0.00 0.00 0.00 178.44 180.08 2daq h ASN 38 N 0.53 -0.17 0.07 -0.43 4.21 -2.00 0.92 115.58 118.71 2daq h ASN 38 Ca 0.63 0.25 -0.00 0.00 1.21 0.00 0.00 56.30 58.39 2daq h ASN 38 Cb 1.32 0.37 0.00 0.00 -1.12 0.00 0.00 38.32 38.89 2daq h ASN 38 CO -0.42 -0.31 -0.03 0.40 -1.29 0.00 0.00 177.43 175.78 2daq h ILE 39 N 0.07 0.74 -0.93 2.81 1.08 -0.69 -3.33 117.51 117.27 2daq h ILE 39 Ca 0.63 -1.39 0.18 0.00 -0.39 0.00 0.00 64.86 63.89 2daq h ILE 39 Cb 1.39 1.35 -0.17 0.00 -3.07 0.00 0.00 36.82 36.32 2daq h ILE 39 CO -0.81 0.23 -0.26 1.56 -0.69 0.00 0.00 178.15 178.19 2daq h GLN 40 N -0.97 -0.01 -1.38 2.37 4.20 -0.31 1.43 115.11 120.45 2daq h GLN 40 Ca -0.01 0.00 0.41 0.00 0.06 0.00 0.00 58.65 59.11 2daq h GLN 40 Cb 0.46 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.14 2daq h GLN 40 CO 0.02 -0.00 0.94 0.78 -0.67 0.00 0.00 178.83 179.89 2daq h GLY 41 N -0.01 0.70 -5.28 3.46 0.00 0.66 -3.40 103.07 99.19 2daq h GLY 41 Ca 0.43 -0.08 -0.64 0.00 0.00 0.00 0.00 47.33 47.04 2daq h GLY 41 CO -0.95 -0.17 0.60 1.04 0.00 0.00 0.00 176.54 177.05 2daq n LEU 42 N -4.40 2.23 -4.76 3.11 4.77 0.49 -4.94 117.00 113.50 2daq n LEU 42 Ca 0.34 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 57.13 2daq n LEU 42 Cb 1.42 -1.28 0.16 0.00 -2.33 0.00 0.00 43.42 41.39 2daq n LEU 42 CO 0.31 -0.74 0.71 -1.59 -1.33 0.00 0.00 177.39 174.75 2daq s LYS 43 N 0.73 0.62 0.05 3.23 0.00 -1.26 -5.07 119.74 118.04 2daq s LYS 43 Ca 0.83 0.18 -0.03 0.00 0.00 0.00 0.00 55.97 56.94 2daq s LYS 43 Cb -0.85 -1.79 0.01 0.00 0.00 0.00 0.00 37.83 35.20 2daq s LYS 43 CO 0.44 -2.53 0.15 -2.39 0.00 0.00 0.00 175.35 171.02 2daq n HIS 44 N -3.97 -0.95 0.00 1.78 1.44 -1.26 -4.94 115.22 107.31 2daq n HIS 44 Ca 0.08 -0.26 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 2daq n HIS 44 Cb 0.59 0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.83 2daq n HIS 44 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2daq n ASP 45 N -0.88 0.00 -3.58 4.39 9.92 -1.26 -5.14 116.55 119.99 2daq n ASP 45 Ca -0.01 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.11 2daq n ASP 45 Cb 0.10 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.52 2daq n ASP 45 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2daq s LEU 46 N -3.47 -0.60 0.00 0.64 1.43 -1.26 -4.97 118.68 110.46 2daq s LEU 46 Ca 0.00 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2daq s LEU 46 Cb 0.00 2.29 0.00 0.00 0.03 0.00 0.00 46.19 48.51 2daq s LEU 46 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 2daq n GLY 47 N 1.59 1.27 3.64 -3.19 0.00 -1.26 -4.88 105.19 102.36 2daq n GLY 47 Ca -0.15 -0.01 -0.65 0.00 0.00 0.00 0.00 46.02 45.21 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 2.90 0.96 -4.46 1.61 9.92 -1.26 -4.72 116.55 121.50 2daq n ASP 48 Ca 0.00 1.16 -0.23 0.00 -0.53 0.00 0.00 54.79 55.20 2daq n ASP 48 Cb 0.00 -0.87 -0.10 0.00 -0.64 0.00 0.00 41.12 39.50 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 2.39 2.12 0.08 1.24 -0.12 -1.14 -4.82 117.98 117.73 2daq s PHE 49 Ca 1.01 -0.54 -0.30 0.00 -0.05 0.00 0.00 56.93 57.04 2daq s PHE 49 Cb -1.43 -1.12 -0.06 0.00 -0.63 0.00 0.00 43.02 39.78 2daq s PHE 49 CO 0.76 0.47 1.16 -1.25 -0.05 0.00 0.00 175.22 176.31 2daq s PRO 50 N -3.63 4.48 0.02 1.99 0.04 -1.26 -2.87 135.00 133.77 2daq s PRO 50 Ca 0.29 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2daq s PRO 50 Cb 0.01 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2daq s PRO 50 CO 0.13 -0.17 -0.09 0.14 0.04 0.00 0.00 177.00 177.05 2daq s VAL 51 N 0.79 0.72 -0.25 -0.36 -7.23 -0.51 0.11 120.40 113.67 2daq s VAL 51 Ca 0.56 -0.69 -0.10 0.00 -1.81 0.00 0.00 61.98 59.94 2daq s VAL 51 Cb -0.29 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 2daq s VAL 51 CO 0.30 -0.01 0.16 0.12 -0.31 0.00 0.00 175.10 175.36 2daq s PHE 52 N -0.65 3.27 -0.38 2.82 5.36 -0.51 -2.04 117.98 125.85 2daq s PHE 52 Ca -0.01 0.14 -0.24 0.00 -0.96 0.00 0.00 56.93 55.86 2daq s PHE 52 Cb -0.06 -2.29 0.01 0.00 -0.34 0.00 0.00 43.02 40.34 2daq s PHE 52 CO 0.00 -0.03 0.83 -0.06 -1.46 0.00 0.00 175.22 174.50 2daq s PHE 53 N 1.29 3.07 1.06 10.12 0.40 0.01 -2.49 117.98 131.44 2daq s PHE 53 Ca 0.07 0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 56.83 2daq s PHE 53 Cb -0.14 -3.55 0.22 0.00 0.51 0.00 0.00 43.02 40.06 2daq s PHE 53 CO 0.06 -0.82 1.07 -0.06 0.70 0.00 0.00 175.22 176.18 2daq s PHE 54 N 3.28 1.52 0.00 0.36 0.08 -1.22 0.15 117.98 122.14 2daq s PHE 54 Ca 0.33 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.79 2daq s PHE 54 Cb -0.12 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 2daq s PHE 54 CO 0.19 -3.39 0.00 0.41 -0.10 0.00 0.00 175.22 172.33 2daq n GLY 55 N 0.44 0.98 0.08 4.36 0.00 -1.26 -3.99 105.19 105.80 2daq n GLY 55 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2daq n GLY 55 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2daq h SER 56 N 0.00 0.08 -3.01 1.61 0.87 -1.88 -3.46 113.55 107.76 2daq h SER 56 Ca 0.00 -0.95 -0.00 0.00 -1.23 0.00 0.00 61.79 59.60 2daq h SER 56 Cb 0.00 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 2daq h SER 56 CO 0.00 1.11 -0.00 1.41 -0.53 0.00 0.00 176.83 178.82 2daq n HIS 57 N -4.50 -0.01 -3.80 2.24 -0.00 0.39 -5.06 115.22 104.46 2daq n HIS 57 Ca -0.13 0.01 -0.13 0.00 -0.00 0.00 0.00 57.72 57.47 2daq n HIS 57 Cb 0.56 -1.55 -0.12 0.00 -0.00 0.00 0.00 29.99 28.88 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 -2.04 -0.21 0.08 0.41 1.01 -1.18 -4.92 116.67 109.82 2daq s ASP 58 Ca 0.00 0.40 -0.06 0.00 0.71 0.00 0.00 52.55 53.60 2daq s ASP 58 Cb -0.00 0.41 -0.05 0.00 1.01 0.00 0.00 42.92 44.29 2daq s ASP 58 CO 0.00 -0.07 0.33 -0.31 0.21 0.00 0.00 175.17 175.33 2daq s TYR 59 N 0.10 3.53 0.17 4.23 2.02 -1.26 -0.81 117.35 125.33 2daq s TYR 59 Ca -0.00 0.57 -0.18 0.00 -0.37 0.00 0.00 57.07 57.09 2daq s TYR 59 Cb -0.01 -2.00 0.04 0.00 -0.40 0.00 0.00 41.96 39.58 2daq s TYR 59 CO 0.00 0.53 0.51 0.71 -1.57 0.00 0.00 175.55 175.73 2daq s TYR 60 N -1.47 -0.21 -0.35 2.71 2.02 -0.86 -4.95 117.35 114.23 2daq s TYR 60 Ca 0.34 -0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.86 2daq s TYR 60 Cb -0.13 0.39 0.03 0.00 -0.40 0.00 0.00 41.96 41.86 2daq s TYR 60 CO 0.21 -0.86 0.13 -1.58 -1.57 0.00 0.00 175.55 171.88 2daq s TRP 61 N -3.84 3.25 -0.04 2.71 0.52 -1.26 -1.42 118.94 118.86 2daq s TRP 61 Ca 0.06 -1.26 0.04 0.00 0.02 0.00 0.00 56.10 54.96 2daq s TRP 61 Cb -0.00 -2.32 -0.00 0.00 -1.15 0.00 0.00 33.47 29.99 2daq s TRP 61 CO -0.07 -0.70 -0.16 0.14 0.02 0.00 0.00 176.95 176.19 2daq s VAL 62 N 1.45 1.34 1.15 4.03 -7.23 -1.14 -4.88 120.40 115.13 2daq s VAL 62 Ca -0.00 -0.67 -0.16 0.00 -1.81 0.00 0.00 61.98 59.34 2daq s VAL 62 Cb -0.19 -1.16 0.25 0.00 0.56 0.00 0.00 36.38 35.84 2daq s VAL 62 CO 0.04 0.39 0.57 0.00 -0.31 0.00 0.00 175.10 175.79 2daq n HIS 63 N 3.17 -2.94 -4.14 2.82 1.44 -1.26 -2.89 115.22 111.43 2daq n HIS 63 Ca -0.18 -0.30 -0.27 0.00 -2.01 0.00 0.00 57.72 54.96 2daq n HIS 63 Cb 0.53 -1.36 -0.07 0.00 0.12 0.00 0.00 29.99 29.22 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 -4.03 2.67 0.00 -1.40 -2.07 -1.26 -4.52 119.66 109.05 2daq s GLN 64 Ca 0.45 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 2daq s GLN 64 Cb -0.08 -2.52 0.00 0.00 -1.09 0.00 0.00 33.01 29.32 2daq s GLN 64 CO 0.37 0.48 0.00 0.41 -1.32 0.00 0.00 175.29 175.23 2daq n GLY 65 N -0.15 3.23 0.03 2.60 0.00 -1.26 -4.86 105.19 104.79 2daq n GLY 65 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.57 0.15 -4.01 1.61 1.74 -1.26 -4.86 116.66 108.47 2daq n ARG 66 Ca 0.00 0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 2daq n ARG 66 Cb 0.00 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 29.79 2daq n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2daq s VAL 67 N -3.09 4.98 0.18 1.55 -7.23 -1.26 -4.25 120.40 111.28 2daq s VAL 67 Ca 0.08 -0.42 0.09 0.00 -1.81 0.00 0.00 61.98 59.93 2daq s VAL 67 Cb 0.15 -3.34 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 2daq s VAL 67 CO 0.71 0.26 -0.10 -0.36 -0.31 0.00 0.00 175.10 175.30 2daq s PHE 68 N -1.32 2.63 -0.06 2.82 0.40 -1.11 -4.82 117.98 116.52 2daq s PHE 68 Ca 0.27 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 56.08 2daq s PHE 68 Cb -0.12 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 2daq s PHE 68 CO 0.19 0.51 1.23 -1.25 0.70 0.00 0.00 175.22 176.60 2daq s PRO 69 N -2.83 4.33 -0.20 0.24 0.04 -1.26 0.11 135.00 135.42 2daq s PRO 69 Ca 0.25 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 2daq s PRO 69 Cb -0.09 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.87 2daq s PRO 69 CO 0.15 -0.49 1.00 -0.47 0.04 0.00 0.00 177.00 177.23 2daq s TYR 70 N 2.40 3.39 0.56 0.56 6.14 -1.14 -4.87 117.35 124.38 2daq s TYR 70 Ca 0.56 1.46 -0.04 0.00 0.64 0.00 0.00 57.07 59.70 2daq s TYR 70 Cb -0.25 -3.21 0.01 0.00 0.42 0.00 0.00 41.96 38.93 2daq s TYR 70 CO 0.21 -0.40 0.84 0.08 0.64 0.00 0.00 175.55 176.93 2daq s VAL 71 N 2.81 3.50 -0.03 3.14 1.01 -1.26 -4.93 120.40 124.63 2daq s VAL 71 Ca 0.44 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2daq s VAL 71 Cb -0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2daq s VAL 71 CO 0.09 -0.33 -0.15 1.21 0.00 0.00 0.00 175.10 175.92 2daq n GLU 72 N -2.46 0.23 -1.36 2.72 0.00 -1.26 -4.75 120.64 113.76 2daq n GLU 72 Ca 0.04 0.09 -0.39 0.00 0.00 0.00 0.00 57.16 56.90 2daq n GLU 72 Cb 0.58 -0.91 -0.03 0.00 0.00 0.00 0.00 31.44 31.09 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 2.58 4.25 0.00 8.31 0.00 -1.26 -4.75 105.19 114.33 2daq n GLY 73 Ca -0.08 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2daq n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2daq n ASP 74 N 3.97 0.00 0.04 1.61 9.92 -1.26 -5.12 116.55 125.71 2daq n ASP 74 Ca 0.74 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.00 2daq n ASP 74 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 2daq n ASP 74 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2daq n LYS 75 N -1.14 0.00 -3.82 -1.24 4.81 -1.26 -4.76 118.16 110.74 2daq n LYS 75 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2daq n LYS 75 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2daq n LYS 75 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2daq n SER 76 N -2.45 -4.81 0.00 3.14 7.64 -1.26 -4.61 113.62 111.27 2daq n SER 76 Ca 0.00 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.87 2daq n SER 76 Cb 0.00 -1.79 0.00 0.00 -1.01 0.00 0.00 64.21 61.41 2daq n SER 76 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2daq n PHE 77 N -3.07 0.00 -3.54 1.43 3.72 -1.26 -5.03 117.46 109.71 2daq n PHE 77 Ca -0.27 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.86 2daq n PHE 77 Cb 0.66 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.11 2daq n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2daq n ALA 78 N 0.00 3.56 0.00 4.37 0.00 -1.26 -5.01 120.51 122.17 2daq n ALA 78 Ca 0.00 -4.39 0.00 0.00 0.00 0.00 0.00 53.44 49.05 2daq n ALA 78 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.43 0.00 0.00 0.00 -0.58 -1.26 -5.06 120.64 115.17 2daq n GLU 79 Ca 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 2daq n GLU 79 Cb 0.41 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 2daq n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2daq n GLY 80 N -0.37 1.70 2.74 0.62 0.00 -1.26 -4.81 105.19 103.81 2daq n GLY 80 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 2daq n GLY 80 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2daq n GLN 81 N 0.04 -3.63 -4.09 1.61 6.02 -1.26 -5.04 117.38 111.03 2daq n GLN 81 Ca 0.00 2.84 -0.17 0.00 -0.01 0.00 0.00 57.00 59.66 2daq n GLN 81 Cb 0.00 -4.23 -0.15 0.00 1.02 0.00 0.00 30.24 26.88 2daq n GLN 81 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2daq s THR 82 N -0.78 0.35 -0.22 5.09 -1.32 -1.26 -5.03 115.64 112.47 2daq s THR 82 Ca -0.17 -0.11 0.16 0.00 -1.21 0.00 0.00 61.69 60.35 2daq s THR 82 Cb 0.01 -0.35 0.46 0.00 -1.51 0.00 0.00 72.50 71.11 2daq s THR 82 CO 0.62 0.14 1.17 -1.20 -2.21 0.00 0.00 174.62 173.14 2daq n SER 83 N 3.47 2.68 -0.01 8.08 7.64 -1.26 -4.86 113.62 129.36 2daq n SER 83 Ca -0.19 -2.94 -0.00 0.00 1.01 0.00 0.00 58.87 56.74 2daq n SER 83 Cb 0.55 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2daq n SER 83 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2daq h ILE 84 N 3.84 0.00 -4.16 0.44 2.04 -2.04 -3.50 117.51 114.13 2daq h ILE 84 Ca 0.05 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2daq h ILE 84 Cb 1.42 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2daq h ILE 84 CO 0.34 0.00 -0.67 -3.20 0.00 0.00 0.00 178.15 174.62 2daq n ASN 85 N -2.38 -3.91 -3.13 1.72 5.15 -1.26 -5.10 115.26 106.36 2daq n ASN 85 Ca -0.00 0.78 -0.09 0.00 -0.60 0.00 0.00 54.58 54.67 2daq n ASN 85 Cb 0.01 -3.40 0.01 0.00 -0.53 0.00 0.00 39.78 35.87 2daq n ASN 85 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2daq s LYS 86 N -0.88 2.13 0.33 1.20 2.20 -1.26 -5.02 119.74 118.43 2daq s LYS 86 Ca -0.05 -1.38 0.11 0.00 -0.36 0.00 0.00 55.97 54.29 2daq s LYS 86 Cb 0.00 0.61 0.96 0.00 -1.51 0.00 0.00 37.83 37.90 2daq s LYS 86 CO 0.44 -0.98 1.70 1.15 -0.36 0.00 0.00 175.35 177.30 2daq h THR 87 N 2.01 0.43 -0.39 3.43 2.02 -1.98 -1.36 112.91 117.06 2daq h THR 87 Ca -0.30 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 66.77 2daq h THR 87 Cb 1.25 -0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 2daq h THR 87 CO 0.37 0.08 -0.42 0.15 0.37 0.00 0.00 175.52 176.08 2daq h PHE 88 N 0.46 -1.29 -0.76 3.16 3.04 -1.95 0.23 116.94 119.83 2daq h PHE 88 Ca 0.68 0.07 0.16 0.00 3.98 0.00 0.00 57.97 62.86 2daq h PHE 88 Cb 1.41 0.61 -0.14 0.00 2.56 0.00 0.00 35.95 40.39 2daq h PHE 88 CO -0.01 -0.34 -0.15 -0.22 -2.02 0.00 0.00 178.31 175.57 2daq h LYS 89 N -0.23 0.02 -0.98 1.11 3.64 -1.65 1.39 116.57 119.87 2daq h LYS 89 Ca 0.07 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.57 2daq h LYS 89 Cb 0.41 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 2daq h LYS 89 CO -0.49 0.01 0.62 -0.22 -2.27 0.00 0.00 179.45 177.10 2daq h LYS 90 N 0.02 0.91 -0.22 1.90 3.64 -0.78 0.22 116.57 122.26 2daq h LYS 90 Ca 0.38 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 2daq h LYS 90 Cb 0.60 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2daq h LYS 90 CO -0.76 0.60 -0.20 0.00 -2.27 0.00 0.00 179.45 176.82 2daq h ALA 91 N 1.55 0.33 -0.34 5.00 0.00 0.45 -1.57 119.26 124.69 2daq h ALA 91 Ca 0.48 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2daq h ALA 91 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2daq h ALA 91 CO -0.25 0.26 0.01 -0.07 0.00 0.00 0.00 179.25 179.20 2daq h LEU 92 N 0.23 -0.12 0.16 0.00 3.38 0.20 0.74 115.31 119.90 2daq h LEU 92 Ca 0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2daq h LEU 92 Cb 0.75 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2daq h LEU 92 CO 0.05 -0.03 -0.13 -0.33 0.09 0.00 0.00 178.44 178.09 2daq h GLU 93 N 0.10 -0.29 0.05 1.13 5.08 -0.60 -0.91 114.58 119.15 2daq h GLU 93 Ca 0.16 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2daq h GLU 93 Cb 0.22 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2daq h GLU 93 CO -0.27 -0.20 -0.16 0.93 -1.00 0.00 0.00 179.01 178.32 2daq h GLU 94 N -0.31 -0.28 -1.01 2.33 5.08 -0.69 0.82 114.58 120.52 2daq h GLU 94 Ca -0.00 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.61 2daq h GLU 94 Cb 0.28 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.48 2daq h GLU 94 CO -0.02 -0.19 0.61 0.00 -1.00 0.00 0.00 179.01 178.41 2daq h ALA 95 N 0.60 1.82 0.58 3.43 0.00 0.69 -0.08 119.26 126.30 2daq h ALA 95 Ca 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2daq h ALA 95 Cb 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2daq h ALA 95 CO -0.11 -0.26 -0.28 0.00 0.00 0.00 0.00 179.25 178.60 2daq h ALA 96 N 1.70 -0.79 -0.42 0.00 0.00 0.03 -2.61 119.26 117.18 2daq h ALA 96 Ca 0.62 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.38 2daq h ALA 96 Cb 1.18 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2daq h ALA 96 CO -0.43 -0.79 -0.28 -0.22 0.00 0.00 0.00 179.25 177.53 2daq h LYS 97 N -1.10 -0.05 -0.82 0.00 1.63 0.63 0.05 116.57 116.92 2daq h LYS 97 Ca -0.08 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.80 2daq h LYS 97 Cb 0.65 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.20 2daq h LYS 97 CO 0.13 -0.03 -0.48 0.54 -3.45 0.00 0.00 179.45 176.16 2daq n ARG 98 N -4.07 -0.36 -0.37 1.90 5.12 -0.20 0.15 116.66 118.83 2daq n ARG 98 Ca 0.00 1.41 0.28 0.00 -1.93 0.00 0.00 57.85 57.62 2daq n ARG 98 Cb 0.14 -2.08 0.55 0.00 -1.16 0.00 0.00 32.46 29.90 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 0.72 0.02 -1.55 3.57 -0.71 1.57 116.94 120.56 2daq h PHE 99 Ca 0.13 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.45 2daq h PHE 99 Cb 0.33 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2daq h PHE 99 CO -1.01 -0.13 -0.96 1.96 -2.23 0.00 0.00 178.31 175.94 2daq h GLN 100 N 0.26 0.14 0.16 1.11 1.08 0.31 -3.13 115.11 115.04 2daq h GLN 100 Ca 0.73 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.73 2daq h GLN 100 Cb 1.95 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.44 2daq h GLN 100 CO -0.46 0.99 -0.08 0.93 -0.95 0.00 0.00 178.83 179.27 2daq h GLU 101 N 0.06 -0.20 -0.63 1.46 5.08 0.80 -1.19 114.58 119.96 2daq h GLU 101 Ca -0.05 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2daq h GLU 101 Cb 1.64 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.84 2daq h GLU 101 CO 0.14 0.23 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.76 2daq h LEU 102 N -0.87 -1.91 -1.96 1.33 4.07 0.79 1.21 115.31 117.96 2daq h LEU 102 Ca -0.02 0.27 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 2daq h LEU 102 Cb 0.52 0.81 -0.00 0.00 1.08 0.00 0.00 40.66 43.07 2daq h LEU 102 CO 0.04 -0.32 -0.04 0.07 -1.08 0.00 0.00 178.44 177.11 2daq h LYS 103 N -0.22 0.00 -3.06 1.13 2.10 -1.65 -3.08 116.57 111.80 2daq h LYS 103 Ca 0.10 0.00 -0.80 0.00 -2.00 0.00 0.00 60.65 57.96 2daq h LYS 103 Cb 0.49 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 31.57 2daq h LYS 103 CO -0.71 0.04 1.04 0.00 -2.00 0.00 0.00 179.45 177.81 2daq n ALA 104 N -2.51 5.20 -3.09 0.07 0.00 0.41 -4.94 120.51 115.65 2daq n ALA 104 Ca -0.03 -4.70 -0.11 0.00 0.00 0.00 0.00 53.44 48.59 2daq n ALA 104 Cb 0.12 -2.49 -0.10 0.00 0.00 0.00 0.00 19.45 16.98 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 -1.16 -0.02 0.82 0.00 0.15 -1.06 -4.70 113.70 107.73 2daq s SER 105 Ca 0.33 -0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.74 2daq s SER 105 Cb 0.05 0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 2daq s SER 105 CO 0.08 -0.30 0.69 0.61 1.20 0.00 0.00 173.24 175.52 2daq n GLY 106 N 1.78 -1.24 3.68 9.45 0.00 -1.26 -4.89 105.19 112.70 2daq n GLY 106 Ca -0.21 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2daq n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2daq s PRO 107 N -3.42 4.32 -0.36 1.61 0.04 -1.26 -4.97 135.00 130.97 2daq s PRO 107 Ca 0.65 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.45 2daq s PRO 107 Cb -0.29 -3.61 0.19 0.00 0.04 0.00 0.00 34.50 30.83 2daq s PRO 107 CO 0.59 -0.52 0.64 0.45 0.04 0.00 0.00 177.00 178.20 2daq s SER 108 N 1.63 -1.52 0.53 6.66 0.15 -1.26 -5.13 113.70 114.76 2daq s SER 108 Ca 0.56 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2daq s SER 108 Cb -0.24 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.00 2daq s SER 108 CO 0.21 -0.22 0.00 -1.20 1.20 0.00 0.00 173.24 173.23 2daq n SER 109 N 4.81 -7.33 0.00 5.45 7.64 -1.26 -5.26 113.62 117.67 2daq n SER 109 Ca 0.08 1.58 0.00 0.00 1.01 0.00 0.00 58.87 61.54 2daq n SER 109 Cb 0.56 -4.37 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 2daq n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64