#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 6.84 0.16 1.61 1.04 -1.26 -4.99 113.70 117.10 2daq s SER 2 Ca 0.00 1.00 -0.29 0.00 0.48 0.00 0.00 55.95 57.13 2daq s SER 2 Cb 0.00 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 2daq s SER 2 CO 0.00 0.31 1.55 0.28 0.98 0.00 0.00 173.24 176.35 2daq h SER 3 N 4.77 -1.88 0.00 7.02 0.02 -2.13 -3.47 113.55 117.87 2daq h SER 3 Ca -0.51 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2daq h SER 3 Cb 1.22 0.83 0.00 0.00 0.14 0.00 0.00 62.40 64.59 2daq h SER 3 CO 0.62 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 2daq n GLY 4 N -1.34 2.68 3.46 -3.77 0.00 -1.26 -5.14 105.19 99.83 2daq n GLY 4 Ca 0.01 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 -0.63 0.40 1.61 0.15 -1.26 -5.12 113.70 108.85 2daq s SER 5 Ca 0.00 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2daq s SER 5 Cb 0.00 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 2daq s SER 5 CO 0.00 -0.20 0.00 -0.24 1.20 0.00 0.00 173.24 174.00 2daq n SER 6 N 3.28 -6.19 0.00 5.45 2.88 -1.26 -5.07 113.62 112.71 2daq n SER 6 Ca -0.16 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2daq n SER 6 Cb 0.56 -3.25 0.00 0.00 -0.75 0.00 0.00 64.21 60.78 2daq n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daq n GLY 7 N -1.69 1.50 3.20 0.46 0.00 -1.26 -5.00 105.19 102.39 2daq n GLY 7 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -1.69 -1.68 1.61 5.02 -1.26 -4.66 118.16 115.50 2daq n LYS 8 Ca 0.00 1.50 0.00 0.00 -2.02 0.00 0.00 58.31 57.79 2daq n LYS 8 Cb 0.00 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 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 -1.41 -5.08 -4.91 -0.35 4.77 -1.26 -4.96 117.00 103.80 2daq n LEU 9 Ca -0.04 3.01 -0.31 0.00 -0.03 0.00 0.00 56.01 58.64 2daq n LEU 9 Cb 0.55 -2.84 -0.04 0.00 -2.33 0.00 0.00 43.42 38.75 2daq n LEU 9 CO 0.54 -0.32 -0.06 -1.38 -1.33 0.00 0.00 177.39 174.85 2daq s HIS 10 N -2.32 3.50 1.23 -1.77 -3.43 -1.26 -5.09 115.29 106.15 2daq s HIS 10 Ca 0.00 0.38 -0.18 0.00 -0.80 0.00 0.00 55.06 54.46 2daq s HIS 10 Cb 0.00 -1.87 0.26 0.00 -1.43 0.00 0.00 32.58 29.54 2daq s HIS 10 CO 0.00 0.50 0.58 0.66 -2.00 0.00 0.00 174.74 174.49 2daq n TYR 11 N 0.10 -2.46 -3.85 0.38 4.01 -1.26 -3.97 117.16 110.11 2daq n TYR 11 Ca -0.04 -0.29 -0.28 0.00 -0.16 0.00 0.00 57.90 57.13 2daq n TYR 11 Cb 0.52 -1.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.08 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 -3.85 -1.35 -3.69 -0.72 5.02 0.12 -4.93 118.16 108.75 2daq n LYS 12 Ca 0.07 0.64 -0.11 0.00 -2.02 0.00 0.00 58.31 56.89 2daq n LYS 12 Cb 0.53 -2.26 -0.12 0.00 -0.02 0.00 0.00 35.03 33.16 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 -5.35 0.27 -0.07 1.97 0.74 -1.18 -4.94 119.66 111.11 2daq s GLN 13 Ca 0.07 0.74 -0.30 0.00 0.05 0.00 0.00 55.36 55.92 2daq s GLN 13 Cb -0.04 -0.00 -0.03 0.00 1.10 0.00 0.00 33.01 34.03 2daq s GLN 13 CO 0.91 -0.20 1.25 0.42 -0.55 0.00 0.00 175.29 177.12 2daq s ILE 14 N 1.75 4.17 0.18 -2.34 -1.09 -1.26 -0.38 121.20 122.23 2daq s ILE 14 Ca -0.06 1.49 -0.08 0.00 -2.23 0.00 0.00 60.65 59.77 2daq s ILE 14 Cb -0.10 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 2daq s ILE 14 CO -0.11 -0.03 0.27 0.68 -1.23 0.00 0.00 174.94 174.52 2daq s VAL 15 N 2.51 0.05 0.46 2.92 -7.23 0.33 -2.96 120.40 116.48 2daq s VAL 15 Ca 0.57 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2daq s VAL 15 Cb -0.25 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 2daq s VAL 15 CO 0.21 -0.24 0.69 0.26 -0.31 0.00 0.00 175.10 175.71 2daq s TRP 16 N -4.01 3.25 -0.07 2.82 0.52 0.83 0.16 118.94 122.44 2daq s TRP 16 Ca 0.21 0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.65 2daq s TRP 16 Cb 0.04 -2.32 0.01 0.00 -1.15 0.00 0.00 33.47 30.04 2daq s TRP 16 CO 0.03 -0.37 -0.14 0.54 0.02 0.00 0.00 176.95 177.03 2daq s VAL 17 N -2.58 1.28 -0.14 4.03 0.11 0.19 -3.09 120.40 120.20 2daq s VAL 17 Ca 0.48 -0.57 -0.28 0.00 -2.93 0.00 0.00 61.98 58.69 2daq s VAL 17 Cb -0.10 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.58 2daq s VAL 17 CO 0.39 0.39 0.93 -0.75 -3.33 0.00 0.00 175.10 172.73 2daq s LYS 18 N 0.58 4.36 0.07 1.54 2.47 -1.18 -2.21 119.74 125.37 2daq s LYS 18 Ca -0.15 1.23 0.00 0.00 -1.56 0.00 0.00 55.97 55.49 2daq s LYS 18 Cb -0.16 -3.56 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 2daq s LYS 18 CO 0.04 -0.33 0.00 1.28 0.16 0.00 0.00 175.35 176.50 2daq n LEU 19 N 5.17 0.78 -3.83 5.43 4.77 -1.26 -5.02 117.00 123.05 2daq n LEU 19 Ca 0.07 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2daq n LEU 19 Cb 0.49 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 2daq n LEU 19 CO 0.50 -0.68 0.01 -0.83 -1.33 0.00 0.00 177.39 175.06 2daq s GLY 20 N -3.71 0.10 0.43 -0.72 0.00 -1.23 -5.11 107.32 97.07 2daq s GLY 20 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 44.72 43.96 2daq s GLY 20 CO 0.00 -0.66 0.69 -2.01 0.00 0.00 0.00 173.10 171.12 2daq n ASN 21 N -0.16 -0.22 -4.01 1.64 5.15 -1.26 -2.02 115.26 114.38 2daq n ASN 21 Ca -0.13 0.94 -0.37 0.00 -0.60 0.00 0.00 54.58 54.42 2daq n ASN 21 Cb 0.63 -1.19 -0.00 0.00 -0.53 0.00 0.00 39.78 38.68 2daq n ASN 21 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2daq n TYR 22 N -0.80 -1.52 0.00 1.20 4.01 -1.26 -4.93 117.16 113.86 2daq n TYR 22 Ca 0.11 0.37 0.00 0.00 -0.16 0.00 0.00 57.90 58.22 2daq n TYR 22 Cb 0.40 -3.09 0.00 0.00 -0.31 0.00 0.00 39.34 36.33 2daq n TYR 22 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2daq n ARG 23 N -4.67 0.00 -4.00 -0.72 1.74 -0.85 -5.18 116.66 102.98 2daq n ARG 23 Ca -0.18 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.81 2daq n ARG 23 Cb 0.62 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.95 2daq n ARG 23 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2daq s TRP 24 N 0.00 0.32 -0.03 -1.55 0.52 -1.26 -3.55 118.94 113.38 2daq s TRP 24 Ca 0.00 -0.67 0.04 0.00 0.02 0.00 0.00 56.10 55.49 2daq s TRP 24 Cb 0.00 -0.23 -0.00 0.00 -1.15 0.00 0.00 33.47 32.08 2daq s TRP 24 CO 0.00 -0.30 -0.15 -0.46 0.02 0.00 0.00 176.95 176.06 2daq s TRP 25 N -2.52 1.46 0.41 -1.98 -0.11 -0.94 -4.95 118.94 110.31 2daq s TRP 25 Ca -0.06 -0.38 -0.24 0.00 1.22 0.00 0.00 56.10 56.64 2daq s TRP 25 Cb -0.02 -0.99 -0.09 0.00 -1.50 0.00 0.00 33.47 30.87 2daq s TRP 25 CO -0.05 -0.12 1.05 -1.25 -4.62 0.00 0.00 176.95 171.96 2daq s PRO 26 N 0.01 4.12 0.23 5.86 0.04 -1.26 0.55 135.00 144.55 2daq s PRO 26 Ca -0.02 1.51 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 2daq s PRO 26 Cb -0.10 -2.50 0.04 0.00 0.04 0.00 0.00 34.50 31.98 2daq s PRO 26 CO 0.01 -0.18 0.72 0.00 0.04 0.00 0.00 177.00 177.60 2daq s ALA 27 N -1.69 -1.37 -0.07 8.56 0.00 0.12 -3.15 121.76 124.18 2daq s ALA 27 Ca 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2daq s ALA 27 Cb -0.22 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.75 2daq s ALA 27 CO 0.27 -0.97 -0.05 -2.00 0.00 0.00 0.00 175.76 173.01 2daq s GLU 28 N -3.80 1.02 0.14 0.00 -6.30 -0.88 0.12 118.70 109.01 2daq s GLU 28 Ca 0.09 -0.11 -0.33 0.00 -2.50 0.00 0.00 54.97 52.12 2daq s GLU 28 Cb -0.04 -1.11 -0.12 0.00 0.00 0.00 0.00 34.13 32.86 2daq s GLU 28 CO 0.02 -0.17 1.71 -0.89 0.02 0.00 0.00 175.26 175.95 2daq n ILE 29 N 4.53 0.15 -4.19 -3.70 5.41 0.49 -1.70 119.36 120.36 2daq n ILE 29 Ca -0.17 -0.03 -0.25 0.00 1.00 0.00 0.00 62.75 63.31 2daq n ILE 29 Cb 0.51 -1.83 -0.08 0.00 -0.71 0.00 0.00 39.64 37.53 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 -3.85 6.32 0.16 0.00 -0.87 -1.26 -3.98 114.94 111.46 2daq s ASN 31 Ca 0.39 0.09 -0.01 0.00 -1.57 0.00 0.00 52.86 51.75 2daq s ASN 31 Cb 0.02 -1.87 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 2daq s ASN 31 CO 0.22 -0.08 1.38 1.55 -2.57 0.00 0.00 177.10 177.60 2daq h PRO 32 N 1.17 0.34 0.00 -0.60 0.13 -1.91 -2.08 132.00 129.05 2daq h PRO 32 Ca -0.52 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2daq h PRO 32 Cb 1.23 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2daq h PRO 32 CO 0.61 1.00 0.00 0.00 -0.23 0.00 0.00 178.00 179.39 2daq h ARG 33 N 0.21 0.00 0.00 0.86 -0.00 -1.99 -3.17 114.38 110.28 2daq h ARG 33 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 2daq h ARG 33 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.42 2daq h ARG 33 CO 0.14 0.00 -0.66 0.45 0.00 0.00 0.00 179.97 179.90 2daq n SER 34 N -2.42 1.78 -4.39 7.04 2.88 -1.11 -4.97 113.62 112.43 2daq n SER 34 Ca 0.00 0.51 -0.34 0.00 -1.33 0.00 0.00 58.87 57.71 2daq n SER 34 Cb 0.17 -0.81 0.09 0.00 -0.75 0.00 0.00 64.21 62.91 2daq n SER 34 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2daq n VAL 35 N -4.47 0.62 -2.54 2.46 0.24 -0.80 -4.92 118.33 108.92 2daq n VAL 35 Ca -0.09 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.34 61.56 2daq n VAL 35 Cb 0.34 -0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 32.09 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 -3.12 3.89 0.35 7.34 0.04 -1.26 -4.80 135.00 137.44 2daq s PRO 36 Ca 0.58 1.40 0.16 0.00 0.04 0.00 0.00 61.00 63.19 2daq s PRO 36 Cb -0.26 -2.20 1.19 0.00 0.04 0.00 0.00 34.50 33.26 2daq s PRO 36 CO 0.66 -0.36 1.60 -0.07 0.04 0.00 0.00 177.00 178.86 2daq h LEU 37 N 1.79 0.24 -0.97 -3.56 -0.00 -1.91 0.92 115.31 111.81 2daq h LEU 37 Ca -0.49 0.25 0.23 0.00 -0.00 0.00 0.00 57.88 57.86 2daq h LEU 37 Cb 1.22 0.27 -0.18 0.00 -0.00 0.00 0.00 40.66 41.97 2daq h LEU 37 CO 0.60 -0.36 -0.11 -1.13 -0.00 0.00 0.00 178.44 177.44 2daq h ASN 38 N 0.08 -0.70 0.21 -0.43 -0.73 -2.00 0.94 115.58 112.95 2daq h ASN 38 Ca 0.78 0.28 -0.01 0.00 1.87 0.00 0.00 56.30 59.22 2daq h ASN 38 Cb 1.95 0.54 0.00 0.00 0.27 0.00 0.00 38.32 41.08 2daq h ASN 38 CO -0.75 -0.33 -0.10 0.40 -0.37 0.00 0.00 177.43 176.27 2daq h ILE 39 N 0.01 0.75 -0.91 2.57 1.08 0.52 -3.24 117.51 118.28 2daq h ILE 39 Ca 0.53 -0.99 0.22 0.00 -0.39 0.00 0.00 64.86 64.23 2daq h ILE 39 Cb 0.95 1.22 -0.17 0.00 -3.07 0.00 0.00 36.82 35.75 2daq h ILE 39 CO -0.96 0.18 -0.04 1.56 -0.69 0.00 0.00 178.15 178.21 2daq h GLN 40 N -0.86 0.04 -1.19 2.37 4.20 -0.27 1.43 115.11 120.82 2daq h GLN 40 Ca -0.03 -0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.02 2daq h GLN 40 Cb 0.51 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 2daq h GLN 40 CO 0.05 0.02 0.82 0.78 -0.67 0.00 0.00 178.83 179.83 2daq h GLY 41 N 0.04 0.58 -5.88 3.46 0.00 0.74 -3.40 103.07 98.61 2daq h GLY 41 Ca 0.51 -0.09 -0.68 0.00 0.00 0.00 0.00 47.33 47.08 2daq h GLY 41 CO -0.86 -0.10 0.87 1.04 0.00 0.00 0.00 176.54 177.49 2daq n LEU 42 N -4.39 2.62 -4.67 3.11 4.77 0.49 -4.90 117.00 114.03 2daq n LEU 42 Ca 0.28 1.06 -0.40 0.00 -0.03 0.00 0.00 56.01 56.92 2daq n LEU 42 Cb 1.18 -1.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 2daq n LEU 42 CO 0.33 -0.42 0.30 -0.54 -1.33 0.00 0.00 177.39 175.73 2daq s LYS 43 N 2.87 4.21 0.35 3.23 1.02 -1.26 -5.03 119.74 125.13 2daq s LYS 43 Ca 0.92 0.52 -0.09 0.00 0.02 0.00 0.00 55.97 57.35 2daq s LYS 43 Cb -0.91 -3.56 0.02 0.00 -0.52 0.00 0.00 37.83 32.87 2daq s LYS 43 CO 0.56 -0.17 0.59 -1.01 -0.92 0.00 0.00 175.35 174.40 2daq s HIS 44 N 1.69 0.64 1.23 3.18 3.76 -1.26 -5.09 115.29 119.43 2daq s HIS 44 Ca 0.27 -1.04 -0.20 0.00 -0.15 0.00 0.00 55.06 53.93 2daq s HIS 44 Cb -0.16 0.29 0.30 0.00 1.11 0.00 0.00 32.58 34.12 2daq s HIS 44 CO 0.10 -1.28 1.10 -0.51 -0.85 0.00 0.00 174.74 173.30 2daq s ASP 45 N -3.15 0.69 -0.00 1.40 1.01 -1.26 -5.01 116.67 110.35 2daq s ASP 45 Ca 0.24 0.60 -0.00 0.00 0.71 0.00 0.00 52.55 54.10 2daq s ASP 45 Cb -0.02 -0.82 -0.00 0.00 1.01 0.00 0.00 42.92 43.09 2daq s ASP 45 CO 0.16 -4.26 0.49 -0.07 0.21 0.00 0.00 175.17 171.69 2daq h LEU 46 N -2.68 -0.02 -0.68 1.23 3.38 -2.03 -3.35 115.31 111.17 2daq h LEU 46 Ca -0.44 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.59 2daq h LEU 46 Cb 1.29 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 2daq h LEU 46 CO 0.32 -0.00 -0.40 0.61 0.09 0.00 0.00 178.44 179.06 2daq n GLY 47 N 0.54 -2.33 3.59 0.83 0.00 -1.26 -4.39 105.19 102.17 2daq n GLY 47 Ca -0.00 0.91 -0.64 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.61 0.95 -4.50 1.61 8.00 -1.26 -4.85 116.55 111.90 2daq n ASP 48 Ca 0.01 1.15 -0.24 0.00 0.71 0.00 0.00 54.79 56.42 2daq n ASP 48 Cb 0.18 -0.86 -0.09 0.00 -0.02 0.00 0.00 41.12 40.32 2daq n ASP 48 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2daq s PHE 49 N 2.36 2.37 0.08 1.24 -0.12 -1.16 -4.77 117.98 117.97 2daq s PHE 49 Ca 0.99 -0.31 -0.30 0.00 -0.05 0.00 0.00 56.93 57.26 2daq s PHE 49 Cb -1.41 -1.04 -0.06 0.00 -0.63 0.00 0.00 43.02 39.89 2daq s PHE 49 CO 0.75 0.70 1.16 -1.25 -0.05 0.00 0.00 175.22 176.52 2daq s PRO 50 N -3.54 4.47 0.00 1.99 0.04 -1.26 -2.92 135.00 133.79 2daq s PRO 50 Ca 0.30 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.10 2daq s PRO 50 Cb -0.05 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 2daq s PRO 50 CO 0.16 -0.18 -0.11 0.14 0.04 0.00 0.00 177.00 177.05 2daq s VAL 51 N 0.82 0.88 -0.25 -0.36 -7.23 -0.54 0.48 120.40 114.20 2daq s VAL 51 Ca 0.56 -0.59 -0.11 0.00 -1.81 0.00 0.00 61.98 60.04 2daq s VAL 51 Cb -0.28 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 2daq s VAL 51 CO 0.30 0.17 0.17 0.12 -0.31 0.00 0.00 175.10 175.55 2daq s PHE 52 N -0.41 3.29 -0.30 2.82 5.36 -0.69 -1.90 117.98 126.14 2daq s PHE 52 Ca 0.03 0.19 -0.21 0.00 -0.96 0.00 0.00 56.93 55.98 2daq s PHE 52 Cb -0.05 -2.30 -0.01 0.00 -0.34 0.00 0.00 43.02 40.32 2daq s PHE 52 CO -0.00 -0.00 0.67 -0.06 -1.46 0.00 0.00 175.22 174.37 2daq s PHE 53 N 1.28 3.22 0.98 10.12 0.40 -0.39 -2.07 117.98 131.52 2daq s PHE 53 Ca 0.07 0.66 -0.11 0.00 -0.60 0.00 0.00 56.93 56.95 2daq s PHE 53 Cb -0.14 -3.04 0.18 0.00 0.51 0.00 0.00 43.02 40.53 2daq s PHE 53 CO 0.07 -0.49 1.09 -0.06 0.70 0.00 0.00 175.22 176.53 2daq s PHE 54 N 2.69 1.83 0.00 0.36 0.08 -1.19 0.75 117.98 122.50 2daq s PHE 54 Ca 0.27 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.72 2daq s PHE 54 Cb -0.15 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 2daq s PHE 54 CO 0.12 -2.96 0.00 0.41 -0.10 0.00 0.00 175.22 172.69 2daq n GLY 55 N -0.16 1.29 0.10 4.36 0.00 -1.26 -4.14 105.19 105.38 2daq n GLY 55 Ca 0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 0.10 -3.08 1.61 4.64 -1.90 -3.47 113.55 111.45 2daq h SER 56 Ca 0.00 -0.78 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 2daq h SER 56 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2daq h SER 56 CO 0.00 1.33 -0.00 1.41 -0.87 0.00 0.00 176.83 178.69 2daq n HIS 57 N -4.38 -0.11 -3.76 4.77 -0.00 0.23 -5.07 115.22 106.90 2daq n HIS 57 Ca -0.22 0.04 -0.13 0.00 -0.00 0.00 0.00 57.72 57.42 2daq n HIS 57 Cb 0.66 -1.59 -0.10 0.00 -0.00 0.00 0.00 29.99 28.95 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 -1.81 -0.33 0.05 0.41 1.01 -1.20 -4.94 116.67 109.85 2daq s ASP 58 Ca 0.00 0.60 -0.07 0.00 0.71 0.00 0.00 52.55 53.79 2daq s ASP 58 Cb -0.00 0.64 -0.05 0.00 1.01 0.00 0.00 42.92 44.52 2daq s ASP 58 CO 0.03 -0.17 0.32 -0.31 0.21 0.00 0.00 175.17 175.24 2daq s TYR 59 N -0.05 3.56 0.00 4.23 2.02 -1.26 -1.26 117.35 124.59 2daq s TYR 59 Ca -0.02 0.61 -0.18 0.00 -0.37 0.00 0.00 57.07 57.11 2daq s TYR 59 Cb -0.03 -2.02 0.03 0.00 -0.40 0.00 0.00 41.96 39.54 2daq s TYR 59 CO 0.01 0.56 0.39 0.71 -1.57 0.00 0.00 175.55 175.65 2daq s TYR 60 N -1.39 -0.26 -0.48 2.71 2.02 -0.80 -4.94 117.35 114.21 2daq s TYR 60 Ca 0.31 0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 57.20 2daq s TYR 60 Cb -0.13 0.17 0.08 0.00 -0.40 0.00 0.00 41.96 41.68 2daq s TYR 60 CO 0.18 -0.48 0.40 -1.58 -1.57 0.00 0.00 175.55 172.50 2daq s TRP 61 N -1.77 3.24 -0.05 2.71 0.52 -1.26 -1.47 118.94 120.87 2daq s TRP 61 Ca -0.10 -0.94 0.05 0.00 0.02 0.00 0.00 56.10 55.13 2daq s TRP 61 Cb -0.03 -3.21 -0.01 0.00 -1.15 0.00 0.00 33.47 29.07 2daq s TRP 61 CO 0.02 -0.81 -0.21 0.14 0.02 0.00 0.00 176.95 176.11 2daq s VAL 62 N 1.65 1.76 0.33 4.03 -7.23 -1.15 -4.88 120.40 114.91 2daq s VAL 62 Ca 0.04 -0.91 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 2daq s VAL 62 Cb -0.25 -1.49 0.08 0.00 0.56 0.00 0.00 36.38 35.29 2daq s VAL 62 CO 0.06 0.50 0.19 0.00 -0.31 0.00 0.00 175.10 175.54 2daq n HIS 63 N 2.97 -2.22 -4.10 2.82 1.44 -1.26 -3.01 115.22 111.86 2daq n HIS 63 Ca -0.17 -0.16 -0.28 0.00 -2.01 0.00 0.00 57.72 55.09 2daq n HIS 63 Cb 0.52 -0.31 -0.07 0.00 0.12 0.00 0.00 29.99 30.26 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 -3.19 2.73 0.00 -1.40 -2.07 -1.26 -4.53 119.66 109.93 2daq s GLN 64 Ca 0.15 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 2daq s GLN 64 Cb -0.03 -2.60 0.00 0.00 -1.09 0.00 0.00 33.01 29.30 2daq s GLN 64 CO 0.12 0.52 0.00 0.41 -1.32 0.00 0.00 175.29 175.02 2daq n GLY 65 N 0.14 2.31 0.04 2.60 0.00 -1.26 -4.87 105.19 104.15 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 -0.54 0.22 -3.94 1.61 1.74 -1.26 -4.85 116.66 109.65 2daq n ARG 66 Ca 0.00 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 2daq n ARG 66 Cb 0.00 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 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 -3.13 5.35 0.12 1.55 -7.23 -1.26 -3.13 120.40 112.67 2daq s VAL 67 Ca 0.07 0.05 0.08 0.00 -1.81 0.00 0.00 61.98 60.36 2daq s VAL 67 Cb 0.14 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 2daq s VAL 67 CO 0.73 0.53 -0.10 -0.36 -0.31 0.00 0.00 175.10 175.60 2daq s PHE 68 N -1.10 2.72 -0.08 2.82 0.40 -1.18 -4.83 117.98 116.74 2daq s PHE 68 Ca 0.18 -0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 2daq s PHE 68 Cb -0.12 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 2daq s PHE 68 CO 0.08 0.45 1.23 -1.25 0.70 0.00 0.00 175.22 176.43 2daq s PRO 69 N -2.38 4.32 -0.09 0.24 0.04 -1.26 -0.12 135.00 135.75 2daq s PRO 69 Ca 0.22 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 2daq s PRO 69 Cb -0.10 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 2daq s PRO 69 CO 0.14 -0.52 0.62 -0.47 0.04 0.00 0.00 177.00 176.81 2daq s TYR 70 N 2.53 3.54 0.59 0.56 6.14 -1.15 -4.91 117.35 124.64 2daq s TYR 70 Ca 0.56 1.10 0.09 0.00 0.64 0.00 0.00 57.07 59.46 2daq s TYR 70 Cb -0.24 -2.72 0.09 0.00 0.42 0.00 0.00 41.96 39.51 2daq s TYR 70 CO 0.21 0.10 0.71 0.14 0.64 0.00 0.00 175.55 177.34 2daq s VAL 71 N 0.82 1.86 0.00 3.14 -7.23 -1.26 -4.95 120.40 112.78 2daq s VAL 71 Ca 0.33 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 2daq s VAL 71 Cb -0.17 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2daq s VAL 71 CO 0.15 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.15 2daq n GLU 72 N -2.17 0.00 -3.26 4.82 0.00 -1.26 -4.95 120.64 113.82 2daq n GLU 72 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 57.16 56.81 2daq n GLU 72 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 32.04 2daq n GLU 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2daq s GLY 73 N -2.81 2.50 0.00 8.31 0.00 -1.26 -4.20 107.32 109.86 2daq s GLY 73 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 44.72 41.55 2daq s GLY 73 CO 0.00 1.38 0.00 1.34 0.00 0.00 0.00 173.10 175.82 2daq n ASP 74 N 4.50 0.00 -4.01 1.64 -0.08 -1.26 -5.14 116.55 112.20 2daq n ASP 74 Ca 0.13 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.32 2daq n ASP 74 Cb 0.47 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.82 2daq n ASP 74 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2daq s LYS 75 N 0.00 0.38 0.85 -0.67 2.20 -1.26 -5.14 119.74 116.11 2daq s LYS 75 Ca 0.00 -0.73 -0.13 0.00 -0.36 0.00 0.00 55.97 54.75 2daq s LYS 75 Cb 0.00 0.08 0.04 0.00 -1.51 0.00 0.00 37.83 36.45 2daq s LYS 75 CO 0.00 -0.05 0.74 0.43 -0.36 0.00 0.00 175.35 176.11 2daq n SER 76 N 1.34 -0.74 -0.07 1.43 7.64 -1.26 -4.81 113.62 117.15 2daq n SER 76 Ca -0.22 0.47 -0.07 0.00 1.01 0.00 0.00 58.87 60.06 2daq n SER 76 Cb 0.56 -1.32 -0.01 0.00 -1.01 0.00 0.00 64.21 62.43 2daq n SER 76 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2daq h PHE 77 N -1.14 -0.05 0.00 1.43 0.04 -1.93 -3.44 116.94 111.84 2daq h PHE 77 Ca -0.45 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2daq h PHE 77 Cb 1.30 0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.51 2daq h PHE 77 CO 0.41 -0.06 0.00 0.00 -0.60 0.00 0.00 178.31 178.06 2daq n ALA 78 N -2.44 1.12 0.05 2.45 0.00 -1.26 -5.07 120.51 115.35 2daq n ALA 78 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2daq n ALA 78 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.39 0.00 0.00 0.00 -0.58 -1.26 -5.17 120.64 110.24 2daq n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2daq n GLU 79 Cb 0.00 -0.03 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 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 1.87 2.63 3.93 0.62 0.00 -1.26 -4.98 105.19 108.00 2daq n GLY 80 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 2daq n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2daq s GLN 81 N 1.70 3.51 -0.64 1.61 1.11 -1.26 -4.61 119.66 121.08 2daq s GLN 81 Ca 0.00 -0.38 -0.09 0.00 0.01 0.00 0.00 55.36 54.91 2daq s GLN 81 Cb 0.00 -2.87 0.01 0.00 -1.01 0.00 0.00 33.01 29.15 2daq s GLN 81 CO 0.00 0.43 0.53 0.25 0.01 0.00 0.00 175.29 176.51 2daq n THR 82 N -0.59 -2.91 -0.08 -0.19 -2.24 -1.26 -4.91 114.28 102.11 2daq n THR 82 Ca -0.05 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.66 2daq n THR 82 Cb 0.54 -2.61 -0.03 0.00 -2.10 0.00 0.00 70.33 66.12 2daq n THR 82 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2daq n SER 83 N -1.67 1.83 -3.62 3.42 7.64 -1.26 -5.06 113.62 114.89 2daq n SER 83 Ca -0.23 0.58 -0.07 0.00 1.01 0.00 0.00 58.87 60.16 2daq n SER 83 Cb 0.60 -0.87 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 2daq n SER 83 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2daq s ILE 84 N -2.31 0.00 -0.77 0.44 1.10 -1.26 -5.10 121.20 113.30 2daq s ILE 84 Ca -0.18 0.00 -0.18 0.00 -0.51 0.00 0.00 60.65 59.78 2daq s ILE 84 Cb 0.03 -1.00 0.13 0.00 0.15 0.00 0.00 42.46 41.77 2daq s ILE 84 CO 0.29 0.00 0.91 0.21 -2.11 0.00 0.00 174.94 174.23 2daq s ASN 85 N -0.71 6.46 0.32 4.50 3.84 -1.26 -4.66 114.94 123.43 2daq s ASN 85 Ca 0.03 -1.85 -0.01 0.00 0.21 0.00 0.00 52.86 51.24 2daq s ASN 85 Cb -0.02 -2.34 -0.01 0.00 -0.55 0.00 0.00 41.25 38.34 2daq s ASN 85 CO -0.05 -1.03 0.40 -0.54 -2.79 0.00 0.00 177.10 173.09 2daq s LYS 86 N 2.38 1.77 0.25 0.43 -0.14 -1.26 -5.04 119.74 118.13 2daq s LYS 86 Ca 0.22 -1.75 -0.03 0.00 -1.36 0.00 0.00 55.97 53.05 2daq s LYS 86 Cb -0.13 0.40 0.51 0.00 -1.68 0.00 0.00 37.83 36.93 2daq s LYS 86 CO -0.02 -0.71 1.69 1.15 -0.76 0.00 0.00 175.35 176.71 2daq h THR 87 N 2.18 0.53 -0.85 2.17 2.02 -1.97 -1.50 112.91 115.49 2daq h THR 87 Ca -0.28 -0.11 0.10 0.00 0.77 0.00 0.00 66.41 66.89 2daq h THR 87 Cb 1.24 0.18 -0.13 0.00 -1.74 0.00 0.00 68.15 67.70 2daq h THR 87 CO 0.39 0.06 -0.49 0.15 0.37 0.00 0.00 175.52 176.00 2daq h PHE 88 N 0.32 -1.50 -0.38 3.16 3.57 -1.96 0.24 116.94 120.40 2daq h PHE 88 Ca 0.44 0.11 0.08 0.00 3.53 0.00 0.00 57.97 62.13 2daq h PHE 88 Cb 0.75 0.77 -0.09 0.00 2.79 0.00 0.00 35.95 40.18 2daq h PHE 88 CO -0.22 -0.40 -0.28 -0.22 -2.23 0.00 0.00 178.31 174.95 2daq h LYS 89 N -0.09 -0.21 -0.97 1.11 3.11 -1.54 0.50 116.57 118.48 2daq h LYS 89 Ca 0.21 0.01 0.30 0.00 -2.81 0.00 0.00 60.65 58.37 2daq h LYS 89 Cb 0.52 0.05 -0.15 0.00 -1.00 0.00 0.00 32.23 31.65 2daq h LYS 89 CO -0.86 -0.14 0.47 0.87 -2.81 0.00 0.00 179.45 176.97 2daq h LYS 90 N -0.22 0.27 0.30 1.90 1.57 -0.47 0.59 116.57 120.52 2daq h LYS 90 Ca 0.18 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2daq h LYS 90 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2daq h LYS 90 CO -0.50 0.18 -0.15 0.00 -0.57 0.00 0.00 179.45 178.41 2daq h ALA 91 N 1.84 -0.41 -0.74 3.86 0.00 0.91 -1.75 119.26 122.97 2daq h ALA 91 Ca 0.69 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.54 2daq h ALA 91 Cb 1.53 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.35 2daq h ALA 91 CO -0.63 -0.44 -0.40 -0.07 0.00 0.00 0.00 179.25 177.71 2daq h LEU 92 N -1.00 -1.42 0.30 0.00 3.38 0.20 1.32 115.31 118.09 2daq h LEU 92 Ca -0.04 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2daq h LEU 92 Cb 0.48 0.69 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2daq h LEU 92 CO 0.07 -0.30 -0.32 -0.33 0.09 0.00 0.00 178.44 177.65 2daq h GLU 93 N -0.12 -0.60 -0.47 1.13 5.08 -0.00 -1.08 114.58 118.53 2daq h GLU 93 Ca 0.25 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.74 2daq h GLU 93 Cb 0.56 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 2daq h GLU 93 CO -0.80 -0.40 -0.32 0.93 -1.00 0.00 0.00 179.01 177.42 2daq h GLU 94 N -0.62 -0.21 -0.90 2.33 5.08 -0.32 0.30 114.58 120.25 2daq h GLU 94 Ca -0.04 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.59 2daq h GLU 94 Cb 0.54 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.69 2daq h GLU 94 CO -0.05 -0.14 0.23 0.00 -1.00 0.00 0.00 179.01 178.05 2daq h ALA 95 N 0.86 1.31 1.00 3.43 0.00 0.19 0.12 119.26 126.17 2daq h ALA 95 Ca 0.19 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2daq h ALA 95 Cb 0.54 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.69 2daq h ALA 95 CO -0.59 -0.51 -0.48 0.00 0.00 0.00 0.00 179.25 177.68 2daq h ALA 96 N 1.82 -1.36 -0.31 0.00 0.00 0.88 -1.75 119.26 118.55 2daq h ALA 96 Ca 0.57 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2daq h ALA 96 Cb 1.19 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 2daq h ALA 96 CO -0.69 -1.26 -0.21 -0.22 0.00 0.00 0.00 179.25 176.87 2daq h LYS 97 N -1.35 -0.03 -0.88 0.00 3.64 0.41 0.60 116.57 118.95 2daq h LYS 97 Ca -0.14 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2daq h LYS 97 Cb 1.03 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.75 2daq h LYS 97 CO 0.23 -0.02 -0.52 0.54 -2.27 0.00 0.00 179.45 177.41 2daq n ARG 98 N -3.78 -0.39 -0.38 1.90 5.12 -0.14 0.18 116.66 119.17 2daq n ARG 98 Ca 0.00 1.44 0.30 0.00 -1.93 0.00 0.00 57.85 57.66 2daq n ARG 98 Cb 0.10 -2.12 0.59 0.00 -1.16 0.00 0.00 32.46 29.87 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 0.52 0.06 -1.55 3.57 -0.18 1.34 116.94 120.70 2daq h PHE 99 Ca 0.14 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.42 2daq h PHE 99 Cb 0.36 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2daq h PHE 99 CO -1.01 -0.05 -1.12 1.96 -2.23 0.00 0.00 178.31 175.86 2daq h GLN 100 N 0.23 0.12 0.17 1.11 1.08 0.40 -3.19 115.11 115.02 2daq h GLN 100 Ca 0.68 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.67 2daq h GLN 100 Cb 2.04 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.54 2daq h GLN 100 CO -0.31 1.09 -0.08 0.93 -0.95 0.00 0.00 178.83 179.51 2daq h GLU 101 N 0.03 -0.22 -0.76 1.46 5.08 0.81 0.58 114.58 121.56 2daq h GLU 101 Ca -0.07 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 2daq h GLU 101 Cb 1.86 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 31.03 2daq h GLU 101 CO 0.16 0.19 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.98 2daq h LEU 102 N -0.87 -1.10 -0.19 1.33 4.07 0.59 0.25 115.31 119.39 2daq h LEU 102 Ca -0.02 0.25 -0.13 0.00 0.08 0.00 0.00 57.88 58.06 2daq h LEU 102 Cb 0.52 0.60 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2daq h LEU 102 CO 0.04 -0.29 -0.40 0.07 -1.08 0.00 0.00 178.44 176.78 2daq h LYS 103 N -0.07 0.60 -3.05 1.13 2.10 -1.62 -3.32 116.57 112.34 2daq h LYS 103 Ca 0.31 -0.39 -0.80 0.00 -2.00 0.00 0.00 60.65 57.76 2daq h LYS 103 Cb 0.58 0.05 -0.27 0.00 -0.90 0.00 0.00 32.23 31.69 2daq h LYS 103 CO -0.81 1.01 0.86 0.00 -2.00 0.00 0.00 179.45 178.52 2daq n ALA 104 N -2.52 5.10 -0.01 0.07 0.00 0.20 -4.78 120.51 118.57 2daq n ALA 104 Ca -0.06 -4.75 -0.00 0.00 0.00 0.00 0.00 53.44 48.63 2daq n ALA 104 Cb 0.53 -2.42 -0.00 0.00 0.00 0.00 0.00 19.45 17.56 2daq n ALA 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2daq h SER 105 N 5.59 0.00 -3.02 0.00 0.87 -0.92 -3.39 113.55 112.68 2daq h SER 105 Ca 0.22 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.21 2daq h SER 105 Cb 0.64 0.00 0.18 0.00 -0.44 0.00 0.00 62.40 62.78 2daq h SER 105 CO 1.33 0.09 -0.49 0.61 -0.53 0.00 0.00 176.83 177.84 2daq n GLY 106 N 1.96 -1.72 3.80 5.77 0.00 -1.26 -4.93 105.19 108.81 2daq n GLY 106 Ca -0.00 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.40 3.61 -0.10 1.61 0.04 -1.26 -4.55 135.00 131.94 2daq s PRO 107 Ca 0.65 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 2daq s PRO 107 Cb -0.38 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.11 2daq s PRO 107 CO 0.58 -0.58 0.11 0.45 0.04 0.00 0.00 177.00 177.60 2daq n SER 108 N -1.46 -4.37 -3.64 6.66 2.88 -1.26 -5.04 113.62 107.39 2daq n SER 108 Ca 0.09 1.13 -0.05 0.00 -1.33 0.00 0.00 58.87 58.71 2daq n SER 108 Cb 0.53 -3.45 -0.06 0.00 -0.75 0.00 0.00 64.21 60.47 2daq n SER 108 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2daq s SER 109 N -0.48 -0.95 0.00 -3.46 1.04 -1.26 -5.16 113.70 103.43 2daq s SER 109 Ca -0.13 1.47 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2daq s SER 109 Cb 0.01 1.58 0.00 0.00 0.10 0.00 0.00 66.02 67.71 2daq s SER 109 CO 0.41 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.01