#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 -0.78 0.60 1.61 0.15 -1.26 -5.13 113.70 108.90 2daq s SER 2 Ca 0.00 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2daq s SER 2 Cb 0.00 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 2daq s SER 2 CO 0.00 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 173.99 2daq n SER 3 N 4.47 -7.83 0.00 5.45 2.88 -1.26 -4.92 113.62 112.41 2daq n SER 3 Ca 0.10 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 59.03 2daq n SER 3 Cb 0.53 -4.86 0.00 0.00 -0.75 0.00 0.00 64.21 59.14 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 -4.31 0.70 2.15 0.46 0.00 -1.26 -5.03 105.19 97.90 2daq n GLY 4 Ca -0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.09 2daq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2daq n SER 5 N 5.63 -5.08 0.11 1.61 7.64 -1.26 -5.05 113.62 117.21 2daq n SER 5 Ca 0.00 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2daq n SER 5 Cb 0.00 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 2daq n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2daq n SER 6 N 1.38 0.26 0.00 6.43 7.64 -1.26 -5.10 113.62 122.96 2daq n SER 6 Ca -0.13 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2daq n SER 6 Cb 0.20 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 2.21 -1.15 3.01 0.23 0.00 -1.26 -5.17 105.19 103.07 2daq n GLY 7 Ca 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 46.02 46.59 2daq n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2daq s LYS 8 N 0.00 1.03 0.50 1.61 1.02 -1.26 -5.00 119.74 117.64 2daq s LYS 8 Ca 0.00 -0.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.58 2daq s LYS 8 Cb 0.00 -0.95 0.12 0.00 -0.52 0.00 0.00 37.83 36.47 2daq s LYS 8 CO 0.00 0.11 0.62 1.28 -0.92 0.00 0.00 175.35 176.44 2daq n LEU 9 N 3.32 0.00 0.00 3.17 4.77 -1.26 -5.06 117.00 121.95 2daq n LEU 9 Ca -0.19 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2daq n LEU 9 Cb 0.54 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2daq n LEU 9 CO 0.25 -1.10 0.00 1.41 -1.33 0.00 0.00 177.39 176.62 2daq n HIS 10 N -3.07 0.00 -4.00 -1.77 8.25 -1.26 -5.18 115.22 108.19 2daq n HIS 10 Ca 0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.45 2daq n HIS 10 Cb 0.28 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 2daq n HIS 10 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2daq s TYR 11 N 0.60 0.37 -1.50 4.41 2.02 -1.26 -4.81 117.35 117.17 2daq s TYR 11 Ca 0.00 -0.73 -0.04 0.00 -0.37 0.00 0.00 57.07 55.93 2daq s TYR 11 Cb 0.00 0.19 0.01 0.00 -0.40 0.00 0.00 41.96 41.76 2daq s TYR 11 CO 0.00 -1.00 0.11 1.17 -1.57 0.00 0.00 175.55 174.26 2daq n LYS 12 N -0.39 -1.00 -4.30 -0.62 3.00 0.62 -4.92 118.16 110.55 2daq n LYS 12 Ca -0.02 0.11 -0.21 0.00 -0.00 0.00 0.00 58.31 58.19 2daq n LYS 12 Cb 0.62 -3.51 -0.16 0.00 0.00 0.00 0.00 35.03 31.97 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 -7.34 1.04 0.08 1.64 0.74 -1.18 -4.94 119.66 109.68 2daq s GLN 13 Ca 0.06 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 54.96 2daq s GLN 13 Cb -0.03 -0.96 -0.05 0.00 1.10 0.00 0.00 33.01 33.07 2daq s GLN 13 CO 0.99 -0.02 0.97 0.42 -0.55 0.00 0.00 175.29 177.11 2daq s ILE 14 N 0.70 4.60 0.19 -2.34 -1.09 -1.26 -0.10 121.20 121.90 2daq s ILE 14 Ca -0.11 2.05 -0.16 0.00 -2.23 0.00 0.00 60.65 60.20 2daq s ILE 14 Cb -0.14 -4.31 0.02 0.00 -1.58 0.00 0.00 42.46 36.46 2daq s ILE 14 CO 0.01 0.26 0.48 0.68 -1.23 0.00 0.00 174.94 175.15 2daq s VAL 15 N 0.34 0.03 0.21 2.92 -7.23 0.12 -3.05 120.40 113.74 2daq s VAL 15 Ca 0.49 -0.87 -0.08 0.00 -1.81 0.00 0.00 61.98 59.71 2daq s VAL 15 Cb -0.23 -1.61 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 2daq s VAL 15 CO 0.29 -0.15 0.50 0.26 -0.31 0.00 0.00 175.10 175.69 2daq s TRP 16 N -3.89 3.44 -0.07 2.82 0.52 0.18 -0.42 118.94 121.52 2daq s TRP 16 Ca 0.10 0.77 0.00 0.00 0.02 0.00 0.00 56.10 57.00 2daq s TRP 16 Cb -0.00 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.11 2daq s TRP 16 CO -0.03 0.31 -0.06 0.54 0.02 0.00 0.00 176.95 177.74 2daq s VAL 17 N -1.78 3.77 -0.09 4.03 0.11 0.33 -2.75 120.40 124.03 2daq s VAL 17 Ca 0.45 -0.45 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 2daq s VAL 17 Cb -0.11 -2.55 -0.04 0.00 -1.53 0.00 0.00 36.38 32.15 2daq s VAL 17 CO 0.22 0.60 0.62 -0.75 -3.33 0.00 0.00 175.10 172.46 2daq s LYS 18 N -0.80 4.40 0.00 1.54 2.47 -1.26 -2.07 119.74 124.02 2daq s LYS 18 Ca 0.12 0.72 0.00 0.00 -1.56 0.00 0.00 55.97 55.25 2daq s LYS 18 Cb -0.11 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 32.82 2daq s LYS 18 CO 0.02 0.10 0.00 1.28 0.16 0.00 0.00 175.35 176.90 2daq n LEU 19 N 3.75 0.00 -2.69 5.43 4.77 -1.26 -4.99 117.00 122.00 2daq n LEU 19 Ca -0.03 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 2daq n LEU 19 Cb 0.51 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.70 2daq n LEU 19 CO 0.46 0.00 0.54 0.61 -1.33 0.00 0.00 177.39 177.66 2daq n GLY 20 N 2.94 -0.32 2.05 -0.72 0.00 -1.26 -4.96 105.19 102.91 2daq n GLY 20 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2daq n GLY 20 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2daq n ASN 21 N 0.30 -0.91 0.03 1.61 2.85 -1.26 -5.05 115.26 112.82 2daq n ASN 21 Ca -0.02 0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 2daq n ASN 21 Cb 0.73 1.01 0.00 0.00 1.24 0.00 0.00 39.78 42.76 2daq n ASN 21 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2daq n TYR 22 N -3.02 -0.15 -3.79 1.20 4.01 -1.26 -5.16 117.16 108.99 2daq n TYR 22 Ca 0.00 0.03 -0.02 0.00 -0.16 0.00 0.00 57.90 57.74 2daq n TYR 22 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 2daq n TYR 22 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2daq s ARG 23 N -1.39 1.09 0.90 -0.72 0.52 -1.26 -5.15 118.95 112.94 2daq s ARG 23 Ca 0.00 -0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 54.43 2daq s ARG 23 Cb 0.00 0.34 0.03 0.00 0.52 0.00 0.00 34.95 35.84 2daq s ARG 23 CO 0.00 -0.50 0.50 0.91 0.02 0.00 0.00 175.30 176.23 2daq n TRP 24 N -0.58 -1.10 -4.11 -0.53 7.02 -1.26 -4.68 117.44 112.21 2daq n TRP 24 Ca -0.05 0.27 -0.15 0.00 -1.02 0.00 0.00 57.50 56.55 2daq n TRP 24 Cb 0.60 -1.83 -0.14 0.00 -2.42 0.00 0.00 31.31 27.52 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 -2.31 0.40 0.33 -5.99 -0.11 -0.88 -4.96 118.94 105.42 2daq s TRP 25 Ca 0.60 -0.09 -0.27 0.00 1.22 0.00 0.00 56.10 57.55 2daq s TRP 25 Cb -0.24 -0.26 -0.09 0.00 -1.50 0.00 0.00 33.47 31.38 2daq s TRP 25 CO 0.65 -0.01 1.07 -1.25 -4.62 0.00 0.00 176.95 172.78 2daq s PRO 26 N -0.17 4.43 0.19 5.86 0.04 -1.26 0.12 135.00 144.21 2daq s PRO 26 Ca 0.01 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 2daq s PRO 26 Cb -0.02 -2.90 0.04 0.00 0.04 0.00 0.00 34.50 31.66 2daq s PRO 26 CO -0.00 0.06 0.54 0.00 0.04 0.00 0.00 177.00 177.64 2daq s ALA 27 N -1.39 -1.08 -0.07 8.56 0.00 0.44 -2.91 121.76 125.32 2daq s ALA 27 Ca 0.50 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2daq s ALA 27 Cb -0.27 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.71 2daq s ALA 27 CO 0.35 -0.80 -0.10 -2.00 0.00 0.00 0.00 175.76 173.20 2daq s GLU 28 N -3.85 1.52 0.20 0.00 -6.30 -0.60 0.16 118.70 109.84 2daq s GLU 28 Ca 0.07 -0.34 -0.31 0.00 -2.50 0.00 0.00 54.97 51.90 2daq s GLU 28 Cb -0.01 -1.33 -0.10 0.00 0.00 0.00 0.00 34.13 32.69 2daq s GLU 28 CO -0.05 -0.03 1.51 0.42 0.02 0.00 0.00 175.26 177.13 2daq s ILE 29 N 0.85 2.63 0.41 -3.70 1.01 0.85 -0.99 121.20 122.27 2daq s ILE 29 Ca -0.11 0.48 0.07 0.00 0.00 0.00 0.00 60.65 61.09 2daq s ILE 29 Cb -0.15 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 2daq s ILE 29 CO 0.01 0.05 0.07 0.00 0.00 0.00 0.00 174.94 175.08 2daq s ASN 31 N -3.78 5.87 0.45 0.00 0.01 -1.26 -3.97 114.94 112.26 2daq s ASN 31 Ca 0.36 0.13 0.25 0.00 -0.71 0.00 0.00 52.86 52.90 2daq s ASN 31 Cb 0.08 -1.44 0.74 0.00 0.41 0.00 0.00 41.25 41.04 2daq s ASN 31 CO 0.19 -0.61 1.75 1.55 -1.51 0.00 0.00 177.10 178.47 2daq h PRO 32 N 0.56 0.00 0.00 -0.60 0.13 -1.92 -2.33 132.00 127.84 2daq h PRO 32 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2daq h PRO 32 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2daq h PRO 32 CO 0.56 0.13 -0.72 0.00 -0.23 0.00 0.00 178.00 177.74 2daq h ARG 33 N 0.00 0.00 0.00 0.86 2.47 -1.99 -3.36 114.38 112.36 2daq h ARG 33 Ca -0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 2daq h ARG 33 Cb 0.85 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 2daq h ARG 33 CO 0.02 0.00 -0.34 1.03 0.56 0.00 0.00 179.97 181.24 2daq h SER 34 N 0.00 0.00 -4.16 7.04 0.87 -1.90 -3.47 113.55 111.94 2daq h SER 34 Ca 0.00 -0.69 -0.54 0.00 -1.23 0.00 0.00 61.79 59.33 2daq h SER 34 Cb 0.90 0.00 0.19 0.00 -0.44 0.00 0.00 62.40 63.05 2daq h SER 34 CO 0.00 1.04 0.28 1.33 -0.53 0.00 0.00 176.83 178.95 2daq n VAL 35 N -4.59 1.75 -2.40 2.23 0.24 -0.90 -4.96 118.33 109.70 2daq n VAL 35 Ca -0.14 -0.19 -0.34 0.00 -2.04 0.00 0.00 64.34 61.64 2daq n VAL 35 Cb 0.46 -1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 31.65 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 -4.12 3.68 0.50 7.34 0.04 -1.26 -4.81 135.00 136.36 2daq s PRO 36 Ca 0.72 1.30 0.34 0.00 0.04 0.00 0.00 61.00 63.39 2daq s PRO 36 Cb -0.28 -2.08 1.46 0.00 0.04 0.00 0.00 34.50 33.64 2daq s PRO 36 CO 0.52 -0.52 1.73 -0.07 0.04 0.00 0.00 177.00 178.70 2daq h LEU 37 N 1.23 0.14 -0.76 -3.56 -0.00 -1.93 0.68 115.31 111.11 2daq h LEU 37 Ca -0.49 0.04 0.17 0.00 -0.00 0.00 0.00 57.88 57.61 2daq h LEU 37 Cb 1.22 0.02 -0.12 0.00 -0.00 0.00 0.00 40.66 41.78 2daq h LEU 37 CO 0.59 -0.01 0.15 -1.13 -0.00 0.00 0.00 178.44 178.04 2daq h ASN 38 N 0.10 -0.06 0.04 -0.43 -1.24 -2.01 0.14 115.58 112.12 2daq h ASN 38 Ca 0.67 0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.84 2daq h ASN 38 Cb 2.38 0.24 0.00 0.00 0.73 0.00 0.00 38.32 41.67 2daq h ASN 38 CO -0.14 -0.08 -0.02 0.40 -1.29 0.00 0.00 177.43 176.30 2daq h ILE 39 N 0.23 1.36 -1.18 2.57 1.08 0.01 -3.15 117.51 118.43 2daq h ILE 39 Ca 0.44 -1.62 0.34 0.00 -0.39 0.00 0.00 64.86 63.62 2daq h ILE 39 Cb 0.77 2.39 -0.05 0.00 -3.07 0.00 0.00 36.82 36.86 2daq h ILE 39 CO -0.56 0.39 1.10 1.56 -0.69 0.00 0.00 178.15 179.95 2daq h GLN 40 N -0.81 0.00 -0.54 2.37 4.20 -0.71 1.15 115.11 120.77 2daq h GLN 40 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2daq h GLN 40 Cb 0.68 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 2daq h GLN 40 CO 0.01 0.00 0.27 0.78 -0.67 0.00 0.00 178.83 179.22 2daq h GLY 41 N 0.00 0.82 0.00 3.46 0.00 -0.71 -3.26 103.07 103.38 2daq h GLY 41 Ca 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2daq h GLY 41 CO -0.01 0.38 0.00 1.04 0.00 0.00 0.00 176.54 177.95 2daq n LEU 42 N -4.59 0.00 -0.39 3.11 4.77 0.40 -4.98 117.00 115.32 2daq n LEU 42 Ca 0.03 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 2daq n LEU 42 Cb 0.11 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2daq n LEU 42 CO 0.37 -0.16 -0.11 1.17 -1.33 0.00 0.00 177.39 177.33 2daq n LYS 43 N -1.51 -1.10 -0.86 3.23 4.81 -1.23 -5.12 118.16 116.38 2daq n LYS 43 Ca 0.00 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2daq n LYS 43 Cb 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.15 2daq n LYS 43 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2daq n HIS 44 N -0.73 -0.55 -1.39 5.64 8.25 -1.26 -5.07 115.22 120.11 2daq n HIS 44 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2daq n HIS 44 Cb 0.00 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.21 2daq n HIS 44 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2daq n ASP 45 N -1.02 1.26 -0.02 0.41 2.03 -1.26 -4.92 116.55 113.04 2daq n ASP 45 Ca 0.00 0.69 -0.02 0.00 0.52 0.00 0.00 54.79 55.98 2daq n ASP 45 Cb 0.00 -1.50 -0.02 0.00 -0.72 0.00 0.00 41.12 38.88 2daq n ASP 45 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2daq h LEU 46 N -0.24 -0.32 -0.17 -2.67 4.07 -2.03 -2.75 115.31 111.20 2daq h LEU 46 Ca -0.48 0.04 0.01 0.00 0.08 0.00 0.00 57.88 57.53 2daq h LEU 46 Cb 1.32 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.17 2daq h LEU 46 CO 0.49 -0.07 -0.10 0.61 -1.08 0.00 0.00 178.44 178.28 2daq n GLY 47 N -1.07 -2.67 3.56 0.83 0.00 -1.26 -4.34 105.19 100.25 2daq n GLY 47 Ca -0.01 0.62 -0.65 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.30 1.06 -4.62 1.61 9.92 -1.04 -4.77 116.55 115.42 2daq n ASP 48 Ca 0.00 1.03 -0.24 0.00 -0.53 0.00 0.00 54.79 55.05 2daq n ASP 48 Cb 0.04 -0.88 -0.08 0.00 -0.64 0.00 0.00 41.12 39.57 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 3.85 2.58 0.06 1.24 -0.12 -1.19 -4.67 117.98 119.73 2daq s PHE 49 Ca 1.08 -0.34 -0.30 0.00 -0.05 0.00 0.00 56.93 57.32 2daq s PHE 49 Cb -1.48 -1.32 -0.05 0.00 -0.63 0.00 0.00 43.02 39.54 2daq s PHE 49 CO 0.76 0.56 1.17 -1.25 -0.05 0.00 0.00 175.22 176.41 2daq s PRO 50 N -3.68 4.46 0.03 1.99 0.04 -1.25 -3.50 135.00 133.08 2daq s PRO 50 Ca 0.33 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2daq s PRO 50 Cb -0.03 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 2daq s PRO 50 CO 0.19 -0.21 -0.13 0.14 0.04 0.00 0.00 177.00 177.03 2daq s VAL 51 N 0.97 0.99 -0.22 -0.36 -7.23 -1.03 0.72 120.40 114.24 2daq s VAL 51 Ca 0.57 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.81 2daq s VAL 51 Cb -0.28 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2daq s VAL 51 CO 0.29 0.02 0.03 0.12 -0.31 0.00 0.00 175.10 175.26 2daq s PHE 52 N -0.75 3.08 -0.23 2.82 5.36 -0.16 -2.26 117.98 125.84 2daq s PHE 52 Ca 0.01 -0.40 -0.22 0.00 -0.96 0.00 0.00 56.93 55.36 2daq s PHE 52 Cb -0.07 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 2daq s PHE 52 CO 0.01 -0.25 0.69 -0.06 -1.46 0.00 0.00 175.22 174.15 2daq s PHE 53 N 1.19 3.32 0.91 10.12 0.40 -0.61 -1.56 117.98 131.76 2daq s PHE 53 Ca 0.04 0.96 -0.11 0.00 -0.60 0.00 0.00 56.93 57.21 2daq s PHE 53 Cb -0.14 -2.89 0.14 0.00 0.51 0.00 0.00 43.02 40.63 2daq s PHE 53 CO 0.02 -0.30 1.10 -0.06 0.70 0.00 0.00 175.22 176.69 2daq s PHE 54 N 2.42 1.95 0.00 0.36 0.08 -1.14 0.12 117.98 121.77 2daq s PHE 54 Ca 0.30 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.88 2daq s PHE 54 Cb -0.16 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 2daq s PHE 54 CO 0.09 -2.64 0.00 0.41 -0.10 0.00 0.00 175.22 172.98 2daq n GLY 55 N -0.33 1.08 0.13 4.36 0.00 -1.26 -4.05 105.19 105.12 2daq n GLY 55 Ca 0.09 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 0.63 -4.40 1.61 4.64 -1.92 -3.49 113.55 110.63 2daq h SER 56 Ca 0.00 -0.93 -0.07 0.00 -0.47 0.00 0.00 61.79 60.31 2daq h SER 56 Cb 0.00 -0.20 0.06 0.00 -0.31 0.00 0.00 62.40 61.95 2daq h SER 56 CO 0.00 1.57 -0.25 1.41 -0.87 0.00 0.00 176.83 178.68 2daq n HIS 57 N -3.92 -1.58 -3.87 4.77 -0.00 0.33 -5.05 115.22 105.90 2daq n HIS 57 Ca -0.17 0.58 -0.12 0.00 -0.00 0.00 0.00 57.72 58.01 2daq n HIS 57 Cb 0.96 -3.24 -0.14 0.00 -0.00 0.00 0.00 29.99 27.58 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 -2.91 0.01 0.01 0.41 1.01 -1.20 -4.93 116.67 109.07 2daq s ASP 58 Ca 0.14 -0.01 -0.08 0.00 0.71 0.00 0.00 52.55 53.30 2daq s ASP 58 Cb -0.02 0.03 -0.05 0.00 1.01 0.00 0.00 42.92 43.90 2daq s ASP 58 CO 0.43 -0.03 0.30 -0.31 0.21 0.00 0.00 175.17 175.78 2daq s TYR 59 N -0.11 3.60 -0.02 4.23 2.02 -1.26 -1.57 117.35 124.24 2daq s TYR 59 Ca -0.01 0.68 -0.15 0.00 -0.37 0.00 0.00 57.07 57.21 2daq s TYR 59 Cb -0.01 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2daq s TYR 59 CO -0.00 0.61 0.31 0.71 -1.57 0.00 0.00 175.55 175.61 2daq s TYR 60 N -1.26 -0.19 -0.50 2.71 2.02 -0.96 -4.97 117.35 114.21 2daq s TYR 60 Ca 0.27 0.28 -0.16 0.00 -0.37 0.00 0.00 57.07 57.09 2daq s TYR 60 Cb -0.14 0.10 0.09 0.00 -0.40 0.00 0.00 41.96 41.61 2daq s TYR 60 CO 0.15 -0.39 0.45 -1.58 -1.57 0.00 0.00 175.55 172.62 2daq s TRP 61 N -1.29 3.22 -0.04 2.71 0.52 -1.26 -2.47 118.94 120.33 2daq s TRP 61 Ca -0.13 -0.97 0.05 0.00 0.02 0.00 0.00 56.10 55.07 2daq s TRP 61 Cb -0.05 -3.38 -0.01 0.00 -1.15 0.00 0.00 33.47 28.88 2daq s TRP 61 CO 0.04 -0.89 -0.19 0.14 0.02 0.00 0.00 176.95 176.07 2daq s VAL 62 N 1.77 1.54 0.62 4.03 -7.23 -1.23 -4.94 120.40 114.97 2daq s VAL 62 Ca 0.05 -0.80 -0.09 0.00 -1.81 0.00 0.00 61.98 59.34 2daq s VAL 62 Cb -0.25 -1.31 0.14 0.00 0.56 0.00 0.00 36.38 35.51 2daq s VAL 62 CO 0.06 0.44 0.31 0.00 -0.31 0.00 0.00 175.10 175.60 2daq n HIS 63 N 2.97 -2.18 -4.22 2.82 1.44 -1.26 -3.19 115.22 111.60 2daq n HIS 63 Ca -0.17 -0.16 -0.24 0.00 -2.01 0.00 0.00 57.72 55.14 2daq n HIS 63 Cb 0.53 -0.70 -0.07 0.00 0.12 0.00 0.00 29.99 29.87 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 -3.06 2.47 0.00 -1.40 -2.07 -1.26 -4.57 119.66 109.78 2daq s GLN 64 Ca 0.24 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.57 2daq s GLN 64 Cb -0.04 -2.33 0.00 0.00 -1.09 0.00 0.00 33.01 29.55 2daq s GLN 64 CO 0.20 0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.99 2daq n GLY 65 N -0.61 1.24 0.02 2.60 0.00 -1.26 -4.87 105.19 102.30 2daq n GLY 65 Ca -0.08 0.00 0.11 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 -1.88 0.15 -3.94 1.61 1.74 -1.26 -4.90 116.66 108.18 2daq n ARG 66 Ca 0.00 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 2daq n ARG 66 Cb 0.00 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 29.85 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 -3.10 5.25 0.15 1.55 -7.23 -1.26 -4.02 120.40 111.74 2daq s VAL 67 Ca 0.06 -0.44 0.08 0.00 -1.81 0.00 0.00 61.98 59.88 2daq s VAL 67 Cb 0.16 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.50 2daq s VAL 67 CO 0.79 0.14 -0.11 -0.36 -0.31 0.00 0.00 175.10 175.26 2daq s PHE 68 N -1.48 2.65 -0.09 2.82 0.40 -1.11 -4.85 117.98 116.32 2daq s PHE 68 Ca 0.34 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.16 2daq s PHE 68 Cb -0.13 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 2daq s PHE 68 CO 0.27 0.46 1.24 -1.25 0.70 0.00 0.00 175.22 176.64 2daq s PRO 69 N -2.52 4.30 0.03 0.24 0.04 -1.26 -0.65 135.00 135.19 2daq s PRO 69 Ca 0.23 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 2daq s PRO 69 Cb -0.10 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.77 2daq s PRO 69 CO 0.14 -0.55 1.03 -0.47 0.04 0.00 0.00 177.00 177.19 2daq s TYR 70 N 2.69 3.62 0.21 0.56 6.14 -1.17 -4.91 117.35 124.48 2daq s TYR 70 Ca 0.56 1.61 0.06 0.00 0.64 0.00 0.00 57.07 59.94 2daq s TYR 70 Cb -0.24 -3.19 -0.04 0.00 0.42 0.00 0.00 41.96 38.91 2daq s TYR 70 CO 0.20 -0.31 0.20 0.08 0.64 0.00 0.00 175.55 176.35 2daq s VAL 71 N 0.90 4.62 -0.43 3.14 1.01 -1.26 -4.97 120.40 123.40 2daq s VAL 71 Ca 0.53 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 2daq s VAL 71 Cb -0.23 -3.43 0.11 0.00 0.00 0.00 0.00 36.38 32.82 2daq s VAL 71 CO 0.29 -0.23 0.25 -0.70 0.00 0.00 0.00 175.10 174.71 2daq s GLU 72 N -3.51 2.25 0.00 2.72 -6.30 -1.26 -4.60 118.70 108.00 2daq s GLU 72 Ca 0.32 -1.74 0.00 0.00 -2.50 0.00 0.00 54.97 51.06 2daq s GLU 72 Cb -0.09 -3.71 0.00 0.00 0.00 0.00 0.00 34.13 30.33 2daq s GLU 72 CO 0.25 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.86 2daq n GLY 73 N 4.74 0.81 2.90 -1.50 0.00 -1.26 -5.09 105.19 105.79 2daq n GLY 73 Ca -0.06 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.47 2daq n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2daq s ASP 74 N -2.24 -0.45 0.00 1.61 1.01 -1.26 -5.16 116.67 110.17 2daq s ASP 74 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.11 2daq s ASP 74 Cb 0.00 0.75 0.00 0.00 1.01 0.00 0.00 42.92 44.68 2daq s ASP 74 CO 0.00 -0.06 0.00 0.29 0.21 0.00 0.00 175.17 175.61 2daq n LYS 75 N 4.11 0.00 -2.73 8.23 4.76 -1.26 -4.83 118.16 126.44 2daq n LYS 75 Ca 0.07 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.47 2daq n LYS 75 Cb 0.61 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.83 2daq n LYS 75 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2daq n SER 76 N 0.00 -2.75 -2.68 4.39 2.88 -1.26 -5.07 113.62 109.13 2daq n SER 76 Ca 0.00 -2.34 -0.04 0.00 -1.33 0.00 0.00 58.87 55.17 2daq n SER 76 Cb 0.00 1.43 0.04 0.00 -0.75 0.00 0.00 64.21 64.92 2daq n SER 76 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2daq n PHE 77 N 2.66 -1.15 0.03 0.66 7.35 -1.26 -5.02 117.46 120.73 2daq n PHE 77 Ca 0.15 -0.77 0.00 0.00 -0.76 0.00 0.00 57.45 56.06 2daq n PHE 77 Cb 0.60 1.15 0.00 0.00 0.35 0.00 0.00 39.48 41.58 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 2.50 0.00 -1.19 3.13 0.00 -1.26 -5.10 120.51 118.59 2daq n ALA 78 Ca 0.11 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 52.98 2daq n ALA 78 Cb 0.64 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.00 0.00 1.02 -1.26 -4.59 120.64 112.94 2daq n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2daq n GLU 79 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 2daq n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2daq n GLY 80 N 6.99 -1.79 3.17 0.62 0.00 -1.26 -5.16 105.19 107.77 2daq n GLY 80 Ca 0.51 0.66 -0.35 0.00 0.00 0.00 0.00 46.02 46.84 2daq n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2daq n GLN 81 N 0.00 -0.18 0.00 1.61 -0.00 -1.26 -4.89 117.38 112.66 2daq n GLN 81 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 2daq n GLN 81 Cb 0.00 -1.37 0.00 0.00 -0.00 0.00 0.00 30.24 28.87 2daq n GLN 81 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2daq n THR 82 N -3.06 0.00 -2.53 -0.39 5.66 -1.26 -5.14 114.28 107.56 2daq n THR 82 Ca 0.02 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.76 2daq n THR 82 Cb 0.56 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.37 2daq n THR 82 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2daq s SER 83 N -1.93 5.59 -0.04 1.09 0.01 -1.26 -5.05 113.70 112.12 2daq s SER 83 Ca 0.00 0.57 -0.02 0.00 1.31 0.00 0.00 55.95 57.81 2daq s SER 83 Cb 0.00 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 2daq s SER 83 CO 0.00 -1.01 0.16 0.40 0.41 0.00 0.00 173.24 173.19 2daq h ILE 84 N -0.06 0.00 0.04 1.44 2.04 -2.05 -3.40 117.51 115.52 2daq h ILE 84 Ca -0.45 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 2daq h ILE 84 Cb 1.26 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2daq h ILE 84 CO 0.59 0.00 -0.02 0.78 0.00 0.00 0.00 178.15 179.50 2daq h ASN 85 N -0.47 -0.05 -4.47 1.72 4.21 -2.08 -3.49 115.58 110.96 2daq h ASN 85 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2daq h ASN 85 Cb 0.06 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.23 2daq h ASN 85 CO 0.01 -0.03 -0.90 0.29 -1.29 0.00 0.00 177.43 175.51 2daq n LYS 86 N -2.24 -2.84 0.11 0.81 5.02 -1.26 -4.90 118.16 112.85 2daq n LYS 86 Ca -0.01 2.34 -0.22 0.00 -2.02 0.00 0.00 58.31 58.41 2daq n LYS 86 Cb 0.02 -4.03 -0.15 0.00 -0.02 0.00 0.00 35.03 30.85 2daq n LYS 86 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2daq h THR 87 N 2.48 1.16 -0.14 -0.18 2.02 -1.98 -3.26 112.91 113.02 2daq h THR 87 Ca -0.18 -2.68 0.03 0.00 0.77 0.00 0.00 66.41 64.36 2daq h THR 87 Cb 0.40 2.90 -0.07 0.00 -1.74 0.00 0.00 68.15 69.64 2daq h THR 87 CO 0.04 0.84 -0.52 0.15 0.37 0.00 0.00 175.52 176.40 2daq h PHE 88 N 0.12 -1.53 -0.99 3.16 3.57 -1.96 1.02 116.94 120.33 2daq h PHE 88 Ca -0.28 0.06 0.14 0.00 3.53 0.00 0.00 57.97 61.42 2daq h PHE 88 Cb 2.11 0.69 -0.09 0.00 2.79 0.00 0.00 35.95 41.45 2daq h PHE 88 CO 0.10 -0.53 0.61 0.87 -2.23 0.00 0.00 178.31 177.13 2daq h LYS 89 N -0.56 0.87 -0.57 1.11 1.79 -1.95 0.82 116.57 118.07 2daq h LYS 89 Ca 0.04 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 2daq h LYS 89 Cb 0.67 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2daq h LYS 89 CO -0.43 0.57 0.08 -0.22 -1.08 0.00 0.00 179.45 178.37 2daq h LYS 90 N 0.89 0.92 -0.21 3.15 3.64 -0.95 -0.65 116.57 123.37 2daq h LYS 90 Ca 0.52 -0.22 -0.16 0.00 -1.27 0.00 0.00 60.65 59.51 2daq h LYS 90 Cb 0.62 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2daq h LYS 90 CO -0.31 0.86 -0.54 0.00 -2.27 0.00 0.00 179.45 177.19 2daq h ALA 91 N 1.22 0.67 0.05 5.00 0.00 0.46 -1.96 119.26 124.71 2daq h ALA 91 Ca 0.18 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2daq h ALA 91 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2daq h ALA 91 CO 0.01 0.68 -0.03 -0.07 0.00 0.00 0.00 179.25 179.85 2daq h LEU 92 N 0.47 -0.06 0.56 0.00 3.38 0.99 0.98 115.31 121.63 2daq h LEU 92 Ca 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2daq h LEU 92 Cb 1.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2daq h LEU 92 CO 0.10 -0.00 -0.40 -0.33 0.09 0.00 0.00 178.44 177.90 2daq h GLU 93 N -0.11 -0.90 -0.31 1.13 5.08 -1.09 -1.84 114.58 116.54 2daq h GLU 93 Ca -0.01 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2daq h GLU 93 Cb 0.09 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 2daq h GLU 93 CO 0.01 -0.60 -0.36 0.93 -1.00 0.00 0.00 179.01 177.99 2daq h GLU 94 N -0.94 -0.32 -0.91 2.33 5.08 -1.28 0.18 114.58 118.71 2daq h GLU 94 Ca -0.07 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.58 2daq h GLU 94 Cb 0.78 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.96 2daq h GLU 94 CO 0.03 -0.22 0.29 0.00 -1.00 0.00 0.00 179.01 178.11 2daq h ALA 95 N 0.52 1.42 0.61 3.43 0.00 -0.62 0.91 119.26 125.53 2daq h ALA 95 Ca 0.13 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2daq h ALA 95 Cb 0.56 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2daq h ALA 95 CO -0.49 -0.51 -0.45 0.00 0.00 0.00 0.00 179.25 177.80 2daq h ALA 96 N 1.81 -1.19 -0.05 0.00 0.00 0.18 -1.39 119.26 118.63 2daq h ALA 96 Ca 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2daq h ALA 96 Cb 1.26 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2daq h ALA 96 CO -0.67 -1.18 -0.03 1.17 0.00 0.00 0.00 179.25 178.54 2daq n LYS 97 N -5.22 -0.02 -0.34 0.00 3.00 0.25 0.06 118.16 115.88 2daq n LYS 97 Ca -0.12 0.95 -0.09 0.00 -0.00 0.00 0.00 58.31 59.05 2daq n LYS 97 Cb 0.44 -1.42 -0.08 0.00 0.00 0.00 0.00 35.03 33.97 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 -3.04 -0.36 -0.35 1.64 3.00 -0.79 0.18 116.66 116.94 2daq n ARG 98 Ca 0.00 1.39 0.29 0.00 -0.01 0.00 0.00 57.85 59.52 2daq n ARG 98 Cb 0.01 -2.05 0.59 0.00 0.00 0.00 0.00 32.46 31.01 2daq n ARG 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2daq h PHE 99 N 0.00 0.48 0.00 -1.55 3.57 0.16 1.44 116.94 121.04 2daq h PHE 99 Ca 0.13 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.46 2daq h PHE 99 Cb 0.33 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2daq h PHE 99 CO -0.99 -0.00 -0.89 1.96 -2.23 0.00 0.00 178.31 176.15 2daq h GLN 100 N 0.24 0.00 0.06 1.11 1.08 0.59 -3.00 115.11 115.19 2daq h GLN 100 Ca 0.64 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.83 2daq h GLN 100 Cb 1.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 2daq h GLN 100 CO -0.25 0.89 -0.03 0.93 -0.95 0.00 0.00 178.83 179.42 2daq h GLU 101 N 0.00 -0.07 -0.29 1.46 5.08 0.87 -2.08 114.58 119.55 2daq h GLU 101 Ca -0.01 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2daq h GLU 101 Cb 1.68 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.86 2daq h GLU 101 CO 0.12 0.48 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.16 2daq h LEU 102 N -0.93 -1.22 -1.84 1.33 -0.00 0.64 0.50 115.31 113.80 2daq h LEU 102 Ca -0.01 0.19 0.02 0.00 -0.00 0.00 0.00 57.88 58.08 2daq h LEU 102 Cb 0.59 0.53 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 2daq h LEU 102 CO 0.01 -0.37 0.14 0.07 -0.00 0.00 0.00 178.44 178.30 2daq h LYS 103 N -0.36 0.21 -0.07 1.13 2.10 -1.65 -2.79 116.57 115.14 2daq h LYS 103 Ca 0.13 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.78 2daq h LYS 103 Cb 0.57 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 2daq h LYS 103 CO -0.48 0.14 -0.27 0.00 -2.00 0.00 0.00 179.45 176.83 2daq h ALA 104 N 1.88 -0.66 -1.50 0.07 0.00 0.75 -3.48 119.26 116.31 2daq h ALA 104 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2daq h ALA 104 Cb 0.08 0.80 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2daq h ALA 104 CO -0.02 -0.76 -0.36 0.45 0.00 0.00 0.00 179.25 178.56 2daq n SER 105 N -3.99 -4.31 0.00 0.00 2.88 -0.93 -5.09 113.62 102.17 2daq n SER 105 Ca -0.03 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2daq n SER 105 Cb 0.19 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 2daq n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daq n GLY 106 N -0.66 1.77 0.09 0.46 0.00 -1.26 -5.07 105.19 100.52 2daq n GLY 106 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2daq n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daq h PRO 107 N 0.00 0.15 -6.26 1.61 0.13 -2.02 -3.46 132.00 122.14 2daq h PRO 107 Ca 0.00 -0.14 -0.58 0.00 -0.87 0.00 0.00 66.00 64.41 2daq h PRO 107 Cb 0.00 0.04 -0.19 0.00 0.13 0.00 0.00 31.00 30.97 2daq h PRO 107 CO 0.00 0.86 -0.81 -1.54 -0.23 0.00 0.00 178.00 176.28 2daq s SER 108 N -6.21 2.92 0.33 1.44 1.04 -1.26 -5.13 113.70 106.82 2daq s SER 108 Ca -0.16 -0.82 -0.22 0.00 0.48 0.00 0.00 55.95 55.23 2daq s SER 108 Cb 0.01 -0.19 -0.10 0.00 0.10 0.00 0.00 66.02 65.85 2daq s SER 108 CO 0.73 0.05 0.88 -0.44 0.98 0.00 0.00 173.24 175.43 2daq s SER 109 N -2.45 7.13 0.00 7.02 0.01 -1.26 -5.23 113.70 118.91 2daq s SER 109 Ca 0.15 1.65 0.00 0.00 1.31 0.00 0.00 55.95 59.06 2daq s SER 109 Cb -0.08 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2daq s SER 109 CO 0.07 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.20