#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 2.58 0.35 1.61 1.04 -1.26 -4.95 113.70 113.07 2daq s SER 2 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2daq s SER 2 Cb 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.06 2daq s SER 2 CO 0.00 -0.39 0.00 -1.20 0.98 0.00 0.00 173.24 172.63 2daq n SER 3 N 5.28 -2.40 0.00 7.02 7.64 -1.26 -5.08 113.62 124.82 2daq n SER 3 Ca -0.05 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2daq n SER 3 Cb 0.46 2.34 0.00 0.00 -1.01 0.00 0.00 64.21 66.00 2daq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daq n GLY 4 N -0.40 -1.80 2.78 0.23 0.00 -1.26 -5.14 105.19 99.60 2daq n GLY 4 Ca 0.00 0.76 -0.28 0.00 0.00 0.00 0.00 46.02 46.50 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 3.20 -0.26 1.61 0.15 -1.26 -5.10 113.70 112.04 2daq s SER 5 Ca 0.00 -0.96 -0.02 0.00 0.70 0.00 0.00 55.95 55.67 2daq s SER 5 Cb 0.00 -0.75 0.03 0.00 -1.71 0.00 0.00 66.02 63.59 2daq s SER 5 CO 0.00 -0.30 -0.04 -0.94 1.20 0.00 0.00 173.24 173.16 2daq s SER 6 N 1.73 4.49 0.00 5.45 1.04 -1.26 -4.95 113.70 120.21 2daq s SER 6 Ca -0.02 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2daq s SER 6 Cb -0.18 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2daq s SER 6 CO -0.09 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2daq n GLY 7 N 4.67 -0.53 3.50 7.32 0.00 -1.26 -5.12 105.19 113.76 2daq n GLY 7 Ca -0.16 0.28 -0.57 0.00 0.00 0.00 0.00 46.02 45.57 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 0.07 -2.18 1.61 5.02 -1.26 -4.82 118.16 116.60 2daq n LYS 8 Ca 0.00 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 2daq n LYS 8 Cb 0.00 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 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 0.33 4.45 -0.13 -0.35 1.43 -1.26 -5.01 118.68 118.14 2daq s LEU 9 Ca 0.88 2.61 -0.04 0.00 -1.03 0.00 0.00 54.13 56.54 2daq s LEU 9 Cb -1.21 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 41.33 2daq s LEU 9 CO 0.56 -0.47 0.03 -1.38 0.23 0.00 0.00 176.35 175.33 2daq s HIS 10 N -1.07 3.23 1.01 0.29 -3.43 -1.26 -5.08 115.29 108.99 2daq s HIS 10 Ca 0.49 0.15 -0.22 0.00 -0.80 0.00 0.00 55.06 54.68 2daq s HIS 10 Cb -0.38 -1.91 -0.12 0.00 -1.43 0.00 0.00 32.58 28.73 2daq s HIS 10 CO 0.50 0.36 -0.98 0.66 -2.00 0.00 0.00 174.74 173.29 2daq n TYR 11 N 2.66 -2.44 -3.62 0.38 4.01 -1.26 -3.62 117.16 113.28 2daq n TYR 11 Ca -0.18 0.36 -0.26 0.00 -0.16 0.00 0.00 57.90 57.66 2daq n TYR 11 Cb 0.53 -1.45 0.03 0.00 -0.31 0.00 0.00 39.34 38.14 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 1.52 -1.25 -3.76 -0.72 5.02 0.49 -4.94 118.16 114.52 2daq n LYS 12 Ca -0.01 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 56.82 2daq n LYS 12 Cb 0.67 -3.98 -0.11 0.00 -0.02 0.00 0.00 35.03 31.58 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 -5.36 0.33 -0.07 1.97 0.74 -1.01 -4.94 119.66 111.33 2daq s GLN 13 Ca 0.31 0.45 -0.26 0.00 0.05 0.00 0.00 55.36 55.91 2daq s GLN 13 Cb -0.12 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.09 2daq s GLN 13 CO 0.85 -0.06 0.82 0.42 -0.55 0.00 0.00 175.29 176.77 2daq s ILE 14 N 0.37 4.96 0.18 -2.34 -1.09 -1.26 0.49 121.20 122.51 2daq s ILE 14 Ca -0.02 1.68 -0.11 0.00 -2.23 0.00 0.00 60.65 59.97 2daq s ILE 14 Cb -0.03 -4.15 -0.00 0.00 -1.58 0.00 0.00 42.46 36.70 2daq s ILE 14 CO -0.02 0.18 0.36 0.68 -1.23 0.00 0.00 174.94 174.91 2daq s VAL 15 N 1.14 0.05 0.40 2.92 -7.23 0.22 -3.02 120.40 114.88 2daq s VAL 15 Ca 0.42 -1.27 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 2daq s VAL 15 Cb -0.19 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2daq s VAL 15 CO 0.20 -0.22 0.63 0.26 -0.31 0.00 0.00 175.10 175.67 2daq s TRP 16 N -3.96 3.45 0.00 2.82 0.52 0.76 0.03 118.94 122.56 2daq s TRP 16 Ca 0.16 0.43 0.07 0.00 0.02 0.00 0.00 56.10 56.78 2daq s TRP 16 Cb 0.02 -2.09 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 2daq s TRP 16 CO 0.01 -0.09 -0.21 0.54 0.02 0.00 0.00 176.95 177.22 2daq s VAL 17 N -2.48 1.65 -0.32 4.03 0.11 0.23 -2.77 120.40 120.85 2daq s VAL 17 Ca 0.44 -0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 58.39 2daq s VAL 17 Cb -0.10 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 2daq s VAL 17 CO 0.39 0.39 0.25 -0.75 -3.33 0.00 0.00 175.10 172.05 2daq s LYS 18 N -0.68 3.67 -0.11 1.54 2.20 -1.22 -2.23 119.74 122.92 2daq s LYS 18 Ca 0.08 -0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 55.09 2daq s LYS 18 Cb -0.08 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 2daq s LYS 18 CO -0.00 -0.37 -0.24 1.28 -0.36 0.00 0.00 175.35 175.66 2daq n LEU 19 N 5.14 1.65 0.00 5.43 4.77 -1.26 -5.05 117.00 127.68 2daq n LEU 19 Ca -0.12 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2daq n LEU 19 Cb 0.50 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2daq n LEU 19 CO 0.36 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 2daq n GLY 20 N 2.05 4.62 0.33 -0.72 0.00 -1.26 -5.05 105.19 105.16 2daq n GLY 20 Ca -0.13 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 2daq n GLY 20 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2daq h ASN 21 N 0.00 -0.81 -1.59 1.61 -0.73 -2.03 -3.44 115.58 108.59 2daq h ASN 21 Ca 0.00 0.08 -0.58 0.00 1.87 0.00 0.00 56.30 57.66 2daq h ASN 21 Cb 0.00 0.28 -0.10 0.00 0.27 0.00 0.00 38.32 38.77 2daq h ASN 21 CO 0.00 -0.42 -0.52 -0.31 -0.37 0.00 0.00 177.43 175.81 2daq s TYR 22 N -6.04 2.57 0.13 0.67 2.02 -1.26 -5.00 117.35 110.44 2daq s TYR 22 Ca -0.16 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 55.92 2daq s TYR 22 Cb 0.06 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 2daq s TYR 22 CO 0.64 0.25 0.00 0.54 -1.57 0.00 0.00 175.55 175.41 2daq n ARG 23 N -1.18 -4.94 -4.11 -0.62 1.74 -1.26 -4.90 116.66 101.40 2daq n ARG 23 Ca -0.02 3.57 -0.27 0.00 -0.77 0.00 0.00 57.85 60.36 2daq n ARG 23 Cb 0.65 -4.01 -0.04 0.00 -1.02 0.00 0.00 32.46 28.04 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 -0.49 2.01 -0.00 -1.55 0.52 -1.26 -4.31 118.94 113.86 2daq s TRP 24 Ca 0.00 -0.77 0.03 0.00 0.02 0.00 0.00 56.10 55.37 2daq s TRP 24 Cb 0.00 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 2daq s TRP 24 CO 0.00 -0.13 -0.08 -0.46 0.02 0.00 0.00 176.95 176.30 2daq s TRP 25 N -2.73 0.72 0.38 -1.98 -0.11 -0.94 -4.96 118.94 109.32 2daq s TRP 25 Ca 0.31 -0.15 -0.25 0.00 1.22 0.00 0.00 56.10 57.23 2daq s TRP 25 Cb 0.00 -0.46 -0.09 0.00 -1.50 0.00 0.00 33.47 31.42 2daq s TRP 25 CO 0.18 -0.01 1.06 -1.25 -4.62 0.00 0.00 176.95 172.31 2daq s PRO 26 N -0.25 4.24 0.14 5.86 0.04 -1.26 0.74 135.00 144.50 2daq s PRO 26 Ca 0.03 1.56 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 2daq s PRO 26 Cb -0.03 -2.65 0.05 0.00 0.04 0.00 0.00 34.50 31.91 2daq s PRO 26 CO -0.00 -0.09 0.48 0.00 0.04 0.00 0.00 177.00 177.43 2daq s ALA 27 N -1.57 -1.18 -0.08 8.56 0.00 0.10 -3.04 121.76 124.55 2daq s ALA 27 Ca 0.56 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.68 2daq s ALA 27 Cb -0.24 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.67 2daq s ALA 27 CO 0.30 -0.70 -0.11 -2.00 0.00 0.00 0.00 175.76 173.25 2daq s GLU 28 N -3.79 1.67 0.09 0.00 2.12 -0.45 0.71 118.70 119.06 2daq s GLU 28 Ca 0.02 -0.38 -0.31 0.00 0.36 0.00 0.00 54.97 54.67 2daq s GLU 28 Cb 0.01 -1.47 -0.08 0.00 0.26 0.00 0.00 34.13 32.85 2daq s GLU 28 CO -0.12 -0.06 1.49 0.42 -0.54 0.00 0.00 175.26 176.45 2daq s ILE 29 N 0.96 3.18 0.48 -3.70 1.01 0.18 -0.71 121.20 122.60 2daq s ILE 29 Ca -0.09 0.76 0.06 0.00 0.00 0.00 0.00 60.65 61.38 2daq s ILE 29 Cb -0.15 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2daq s ILE 29 CO 0.00 0.03 0.27 0.00 0.00 0.00 0.00 174.94 175.24 2daq s ASN 31 N -4.08 6.30 0.50 0.00 0.01 -1.26 -4.17 114.94 112.23 2daq s ASN 31 Ca 0.34 0.39 0.29 0.00 -0.71 0.00 0.00 52.86 53.16 2daq s ASN 31 Cb 0.00 -2.00 0.87 0.00 0.41 0.00 0.00 41.25 40.53 2daq s ASN 31 CO 0.20 -0.25 1.80 1.55 -1.51 0.00 0.00 177.10 178.89 2daq h PRO 32 N 0.87 0.00 0.00 -0.60 0.13 -1.93 -2.67 132.00 127.80 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2daq h PRO 32 CO 0.62 0.00 -0.62 0.54 -0.23 0.00 0.00 178.00 178.30 2daq n ARG 33 N -3.09 0.20 -0.02 0.86 5.12 -1.26 -4.36 116.66 114.11 2daq n ARG 33 Ca 0.02 0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 55.98 2daq n ARG 33 Cb 0.41 -1.62 -0.00 0.00 -1.16 0.00 0.00 32.46 30.09 2daq n ARG 33 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2daq h SER 34 N 0.00 0.00 -2.26 0.55 0.87 -1.88 -3.48 113.55 107.36 2daq h SER 34 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2daq h SER 34 Cb 0.67 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.85 2daq h SER 34 CO 0.00 0.17 -1.45 1.33 -0.53 0.00 0.00 176.83 176.35 2daq n VAL 35 N -2.82 0.16 -2.40 2.23 0.24 -1.05 -4.89 118.33 109.80 2daq n VAL 35 Ca -0.01 -0.46 -0.34 0.00 -2.04 0.00 0.00 64.34 61.50 2daq n VAL 35 Cb 0.04 -0.13 -0.02 0.00 -1.47 0.00 0.00 33.84 32.26 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 -2.02 3.67 0.43 7.34 0.04 -1.26 -4.82 135.00 138.38 2daq s PRO 36 Ca 0.48 1.30 0.25 0.00 0.04 0.00 0.00 61.00 63.07 2daq s PRO 36 Cb -0.27 -2.08 1.29 0.00 0.04 0.00 0.00 34.50 33.48 2daq s PRO 36 CO 0.75 -0.53 1.70 -0.07 0.04 0.00 0.00 177.00 178.90 2daq h LEU 37 N 1.22 0.32 -0.93 -3.56 -0.00 -1.93 0.73 115.31 111.17 2daq h LEU 37 Ca -0.49 0.10 0.27 0.00 -0.00 0.00 0.00 57.88 57.77 2daq h LEU 37 Cb 1.22 0.06 -0.15 0.00 -0.00 0.00 0.00 40.66 41.79 2daq h LEU 37 CO 0.59 -0.05 0.32 0.78 -0.00 0.00 0.00 178.44 180.08 2daq h ASN 38 N 0.22 0.11 0.01 -0.43 4.21 -2.00 0.79 115.58 118.49 2daq h ASN 38 Ca 0.70 0.21 -0.00 0.00 1.21 0.00 0.00 56.30 58.42 2daq h ASN 38 Cb 2.07 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 39.52 2daq h ASN 38 CO -0.33 -0.18 -0.00 0.40 -1.29 0.00 0.00 177.43 176.02 2daq h ILE 39 N 0.21 1.55 -0.81 2.81 1.08 0.12 -3.21 117.51 119.26 2daq h ILE 39 Ca 0.62 -1.99 0.24 0.00 -0.39 0.00 0.00 64.86 63.34 2daq h ILE 39 Cb 1.32 2.84 -0.03 0.00 -3.07 0.00 0.00 36.82 37.88 2daq h ILE 39 CO -0.67 0.49 0.77 1.56 -0.69 0.00 0.00 178.15 179.61 2daq h GLN 40 N -0.91 0.00 0.00 2.37 4.20 -0.43 1.42 115.11 121.76 2daq h GLN 40 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2daq h GLN 40 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2daq h GLN 40 CO 0.00 0.00 -0.40 0.78 -0.67 0.00 0.00 178.83 178.54 2daq h GLY 41 N 0.00 0.00 -4.25 3.46 0.00 0.49 -3.44 103.07 99.33 2daq h GLY 41 Ca 0.39 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.13 2daq h GLY 41 CO -0.00 0.00 0.36 1.04 0.00 0.00 0.00 176.54 177.94 2daq n LEU 42 N -4.01 2.91 -4.52 3.11 4.77 0.49 -4.88 117.00 114.87 2daq n LEU 42 Ca -0.02 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.73 2daq n LEU 42 Cb 0.44 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.08 2daq n LEU 42 CO 0.39 -0.85 0.86 -0.54 -1.33 0.00 0.00 177.39 175.91 2daq s LYS 43 N -1.78 3.28 0.52 3.23 1.02 -1.26 -5.00 119.74 119.75 2daq s LYS 43 Ca 0.57 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.26 2daq s LYS 43 Cb -0.61 -4.11 0.00 0.00 -0.52 0.00 0.00 37.83 32.59 2daq s LYS 43 CO 0.61 -1.69 0.16 -3.38 -0.92 0.00 0.00 175.35 170.14 2daq s HIS 44 N 4.37 1.83 0.21 3.18 -3.43 -1.26 -5.06 115.29 115.13 2daq s HIS 44 Ca 0.31 -0.89 0.05 0.00 -0.80 0.00 0.00 55.06 53.73 2daq s HIS 44 Cb -0.12 -1.75 -0.05 0.00 -1.43 0.00 0.00 32.58 29.23 2daq s HIS 44 CO 0.17 -0.03 -0.07 0.34 -2.00 0.00 0.00 174.74 173.14 2daq s ASP 45 N -4.03 2.16 0.71 7.38 -1.08 -1.26 -5.11 116.67 115.45 2daq s ASP 45 Ca 0.19 -1.11 -0.17 0.00 -0.52 0.00 0.00 52.55 50.93 2daq s ASP 45 Cb 0.00 -0.06 -0.11 0.00 -1.46 0.00 0.00 42.92 41.29 2daq s ASP 45 CO 0.11 -0.35 -0.11 0.18 0.52 0.00 0.00 175.17 175.52 2daq n LEU 46 N -0.38 -2.95 0.00 -1.34 7.99 -1.26 -2.68 117.00 116.38 2daq n LEU 46 Ca -0.07 0.50 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 2daq n LEU 46 Cb 0.62 -0.94 0.00 0.00 -0.11 0.00 0.00 43.42 42.99 2daq n LEU 46 CO 0.36 -4.63 0.00 0.61 -1.51 0.00 0.00 177.39 172.22 2daq n GLY 47 N 2.51 2.21 3.51 -0.72 0.00 -1.26 -4.94 105.19 106.50 2daq n GLY 47 Ca 0.06 -0.11 -0.54 0.00 0.00 0.00 0.00 46.02 45.42 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 4.22 0.19 -4.37 1.61 9.92 -1.09 -4.83 116.55 122.20 2daq n ASP 48 Ca 0.00 1.15 -0.19 0.00 -0.53 0.00 0.00 54.79 55.21 2daq n ASP 48 Cb 0.00 -1.01 -0.10 0.00 -0.64 0.00 0.00 41.12 39.37 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 -0.15 1.80 0.02 1.24 -0.12 -1.19 -4.77 117.98 114.80 2daq s PHE 49 Ca 0.82 -0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 56.84 2daq s PHE 49 Cb -1.10 -0.85 -0.05 0.00 -0.63 0.00 0.00 43.02 40.39 2daq s PHE 49 CO 0.55 0.39 1.19 -1.25 -0.05 0.00 0.00 175.22 176.05 2daq s PRO 50 N -3.64 4.41 0.05 1.99 0.04 -1.26 -3.49 135.00 133.10 2daq s PRO 50 Ca 0.24 1.71 0.06 0.00 0.04 0.00 0.00 61.00 63.05 2daq s PRO 50 Cb -0.01 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 2daq s PRO 50 CO 0.08 -0.31 -0.16 0.14 0.04 0.00 0.00 177.00 176.79 2daq s VAL 51 N 1.47 1.29 -0.21 -0.36 -7.23 -1.04 0.15 120.40 114.47 2daq s VAL 51 Ca 0.57 -1.11 -0.05 0.00 -1.81 0.00 0.00 61.98 59.58 2daq s VAL 51 Cb -0.27 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 2daq s VAL 51 CO 0.27 0.03 0.01 0.12 -0.31 0.00 0.00 175.10 175.21 2daq s PHE 52 N -0.89 3.04 -0.13 2.82 5.36 0.11 -2.48 117.98 125.80 2daq s PHE 52 Ca 0.03 -0.51 -0.21 0.00 -0.96 0.00 0.00 56.93 55.28 2daq s PHE 52 Cb -0.08 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 2daq s PHE 52 CO 0.02 -0.30 0.62 -0.06 -1.46 0.00 0.00 175.22 174.04 2daq s PHE 53 N 1.17 3.48 0.65 10.12 0.40 -1.00 -1.34 117.98 131.45 2daq s PHE 53 Ca 0.03 1.04 -0.15 0.00 -0.60 0.00 0.00 56.93 57.25 2daq s PHE 53 Cb -0.14 -2.75 -0.01 0.00 0.51 0.00 0.00 43.02 40.63 2daq s PHE 53 CO 0.01 -0.00 1.09 -0.06 0.70 0.00 0.00 175.22 176.96 2daq s PHE 54 N 1.23 2.73 0.00 0.36 0.08 -1.17 -0.20 117.98 121.01 2daq s PHE 54 Ca 0.31 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.90 2daq s PHE 54 Cb -0.16 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 2daq s PHE 54 CO 0.13 -1.53 0.00 0.41 -0.10 0.00 0.00 175.22 174.13 2daq n GLY 55 N -0.71 1.84 0.07 4.36 0.00 -1.26 -4.39 105.19 105.11 2daq n GLY 55 Ca 0.10 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -2.97 1.61 0.87 -1.93 -3.48 113.55 107.65 2daq h SER 56 Ca 0.00 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2daq h SER 56 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2daq h SER 56 CO 0.00 0.99 0.00 1.41 -0.53 0.00 0.00 176.83 178.70 2daq n HIS 57 N -4.61 0.00 -3.85 2.24 -0.00 0.73 -5.07 115.22 104.66 2daq n HIS 57 Ca -0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.48 2daq n HIS 57 Cb 0.44 -1.73 -0.14 0.00 -0.00 0.00 0.00 29.99 28.56 2daq n HIS 57 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 2daq s ASP 58 N -2.24 -0.05 -0.09 0.41 1.47 -1.24 -4.94 116.67 109.98 2daq s ASP 58 Ca 0.00 0.11 -0.12 0.00 1.18 0.00 0.00 52.55 53.72 2daq s ASP 58 Cb 0.00 0.11 -0.05 0.00 -0.34 0.00 0.00 42.92 42.64 2daq s ASP 58 CO 0.00 -0.03 0.28 -0.31 0.68 0.00 0.00 175.17 175.79 2daq s TYR 59 N 0.09 3.60 0.03 2.11 2.02 -1.26 -2.37 117.35 121.57 2daq s TYR 59 Ca -0.01 0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 57.38 2daq s TYR 59 Cb -0.01 -2.18 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2daq s TYR 59 CO -0.00 0.55 0.01 0.71 -1.57 0.00 0.00 175.55 175.24 2daq s TYR 60 N -0.58 0.29 -0.65 2.71 2.02 -1.04 -4.96 117.35 115.14 2daq s TYR 60 Ca 0.18 -0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 56.12 2daq s TYR 60 Cb -0.14 -0.21 0.16 0.00 -0.40 0.00 0.00 41.96 41.37 2daq s TYR 60 CO 0.07 -0.27 0.61 -1.58 -1.57 0.00 0.00 175.55 172.81 2daq s TRP 61 N -2.17 3.45 -0.06 2.71 0.52 -1.26 -2.51 118.94 119.62 2daq s TRP 61 Ca -0.09 -1.56 0.05 0.00 0.02 0.00 0.00 56.10 54.52 2daq s TRP 61 Cb -0.04 -3.81 -0.02 0.00 -1.15 0.00 0.00 33.47 28.45 2daq s TRP 61 CO -0.03 -1.01 -0.22 0.14 0.02 0.00 0.00 176.95 175.85 2daq s VAL 62 N 1.04 2.36 0.14 4.03 -7.23 -1.23 -4.91 120.40 114.61 2daq s VAL 62 Ca 0.09 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 2daq s VAL 62 Cb -0.22 -1.88 0.04 0.00 0.56 0.00 0.00 36.38 34.88 2daq s VAL 62 CO -0.02 0.57 0.08 0.00 -0.31 0.00 0.00 175.10 175.43 2daq n HIS 63 N 2.77 -1.93 -4.10 2.82 1.44 -1.26 -3.19 115.22 111.77 2daq n HIS 63 Ca -0.17 -0.07 -0.23 0.00 -2.01 0.00 0.00 57.72 55.25 2daq n HIS 63 Cb 0.52 -0.14 -0.06 0.00 0.12 0.00 0.00 29.99 30.43 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 -2.83 2.48 0.00 -1.40 -2.07 -1.26 -4.59 119.66 109.98 2daq s GLN 64 Ca 0.06 -1.42 0.00 0.00 -1.82 0.00 0.00 55.36 52.18 2daq s GLN 64 Cb -0.01 -2.27 0.00 0.00 -1.09 0.00 0.00 33.01 29.64 2daq s GLN 64 CO 0.05 0.20 0.00 0.41 -1.32 0.00 0.00 175.29 174.63 2daq n GLY 65 N -1.13 1.70 0.01 2.60 0.00 -1.26 -4.85 105.19 102.26 2daq n GLY 65 Ca -0.04 0.00 0.11 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 -2.00 0.06 -4.03 1.61 5.12 -1.26 -4.91 116.66 111.26 2daq n ARG 66 Ca 0.00 -0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.61 2daq n ARG 66 Cb 0.00 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 29.73 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 -3.05 4.68 0.18 1.55 -7.23 -1.26 -3.45 120.40 111.83 2daq s VAL 67 Ca 0.08 -0.74 0.11 0.00 -1.81 0.00 0.00 61.98 59.62 2daq s VAL 67 Cb 0.16 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 2daq s VAL 67 CO 0.81 0.10 -0.21 -0.36 -0.31 0.00 0.00 175.10 175.13 2daq s PHE 68 N -1.45 2.39 -0.06 2.82 0.40 -1.12 -4.84 117.98 116.12 2daq s PHE 68 Ca 0.30 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 56.01 2daq s PHE 68 Cb -0.12 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 2daq s PHE 68 CO 0.23 0.47 1.23 -1.25 0.70 0.00 0.00 175.22 176.60 2daq s PRO 69 N -2.58 4.33 -0.16 0.24 0.04 -1.26 -0.17 135.00 135.43 2daq s PRO 69 Ca 0.21 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.70 2daq s PRO 69 Cb -0.09 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2daq s PRO 69 CO 0.10 -0.49 0.80 -0.47 0.04 0.00 0.00 177.00 176.98 2daq s TYR 70 N 2.40 3.43 0.47 0.56 6.14 -1.17 -4.90 117.35 124.28 2daq s TYR 70 Ca 0.56 1.22 -0.00 0.00 0.64 0.00 0.00 57.07 59.49 2daq s TYR 70 Cb -0.25 -2.97 -0.00 0.00 0.42 0.00 0.00 41.96 39.16 2daq s TYR 70 CO 0.21 -0.21 0.70 0.08 0.64 0.00 0.00 175.55 176.97 2daq s VAL 71 N 2.02 3.90 -0.74 3.14 1.01 -1.26 -4.96 120.40 123.52 2daq s VAL 71 Ca 0.37 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2daq s VAL 71 Cb -0.17 -3.45 0.18 0.00 0.00 0.00 0.00 36.38 32.94 2daq s VAL 71 CO 0.13 -0.34 0.55 -0.70 0.00 0.00 0.00 175.10 174.74 2daq s GLU 72 N -4.61 2.66 0.00 2.72 -6.30 -1.26 -4.85 118.70 107.05 2daq s GLU 72 Ca 0.49 -3.24 0.00 0.00 -2.50 0.00 0.00 54.97 49.73 2daq s GLU 72 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 34.13 30.45 2daq s GLU 72 CO 0.39 -1.26 0.00 0.41 0.02 0.00 0.00 175.26 174.82 2daq n GLY 73 N 2.23 -0.53 0.00 -1.50 0.00 -1.26 -5.13 105.19 99.00 2daq n GLY 73 Ca 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 -3.70 1.61 -0.08 -1.26 -5.02 116.55 108.10 2daq n ASP 74 Ca 0.00 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.04 2daq n ASP 74 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2daq n ASP 74 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2daq n LYS 75 N 0.00 -1.58 -1.91 -0.67 5.02 -1.26 -4.76 118.16 113.00 2daq n LYS 75 Ca 0.00 0.90 -0.42 0.00 -2.02 0.00 0.00 58.31 56.77 2daq n LYS 75 Cb 0.00 -2.54 -0.03 0.00 -0.02 0.00 0.00 35.03 32.44 2daq n LYS 75 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2daq s SER 76 N -2.81 6.60 -0.93 4.39 1.04 -1.26 -4.91 113.70 115.82 2daq s SER 76 Ca 0.05 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.92 2daq s SER 76 Cb -0.01 -2.55 0.32 0.00 0.10 0.00 0.00 66.02 63.89 2daq s SER 76 CO 0.88 -0.93 1.62 0.33 0.98 0.00 0.00 173.24 176.12 2daq n PHE 77 N 6.42 3.06 -2.66 5.02 -0.00 -1.26 -4.70 117.46 123.34 2daq n PHE 77 Ca 0.17 -2.90 -0.02 0.00 -0.00 0.00 0.00 57.45 54.70 2daq n PHE 77 Cb 0.41 -1.04 0.03 0.00 -0.00 0.00 0.00 39.48 38.89 2daq n PHE 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2daq s ALA 78 N -4.11 -4.89 0.05 3.13 0.00 -1.26 -5.12 121.76 109.56 2daq s ALA 78 Ca 0.41 0.88 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 2daq s ALA 78 Cb 0.21 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2daq s ALA 78 CO -0.13 -2.57 0.33 -1.21 0.00 0.00 0.00 175.76 172.18 2daq s GLU 79 N 1.17 0.85 0.00 0.00 2.02 -1.26 -5.15 118.70 116.33 2daq s GLU 79 Ca 0.21 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.71 2daq s GLU 79 Cb 0.13 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.73 2daq s GLU 79 CO -0.12 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.29 2daq n GLY 80 N 0.51 1.71 2.25 -1.39 0.00 -1.26 -5.12 105.19 101.89 2daq n GLY 80 Ca -0.18 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.74 2daq n GLY 80 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2daq n GLN 81 N 0.39 -5.18 -0.07 1.61 -0.06 -1.26 -5.01 117.38 107.81 2daq n GLN 81 Ca 0.00 3.74 -0.12 0.00 -2.00 0.00 0.00 57.00 58.62 2daq n GLN 81 Cb 0.00 -4.52 -0.06 0.00 -4.06 0.00 0.00 30.24 21.60 2daq n GLN 81 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2daq n THR 82 N 1.80 0.81 -1.53 1.69 -2.24 -1.26 -5.02 114.28 108.53 2daq n THR 82 Ca 0.00 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 2daq n THR 82 Cb 0.00 -1.31 0.03 0.00 -2.10 0.00 0.00 70.33 66.95 2daq n THR 82 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2daq n SER 83 N -3.24 -0.01 -1.31 3.42 2.88 -1.26 -4.59 113.62 109.51 2daq n SER 83 Ca -0.27 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2daq n SER 83 Cb 0.74 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 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 -1.23 -4.48 0.24 2.46 -0.00 -1.26 -4.84 119.36 110.24 2daq n ILE 84 Ca 0.11 1.93 -0.13 0.00 -0.00 0.00 0.00 62.75 64.66 2daq n ILE 84 Cb 0.44 -2.70 -0.07 0.00 -0.00 0.00 0.00 39.64 37.31 2daq n ILE 84 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.55 175.42 2daq h ASN 85 N 1.63 -0.53 -3.86 4.38 -1.24 -2.00 -3.50 115.58 110.45 2daq h ASN 85 Ca 0.00 -0.08 0.12 0.00 0.71 0.00 0.00 56.30 57.04 2daq h ASN 85 Cb 0.00 0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.12 2daq h ASN 85 CO 0.00 -0.15 -0.57 0.29 -1.29 0.00 0.00 177.43 175.71 2daq n LYS 86 N -5.23 -1.70 -0.05 6.67 5.02 -1.26 -4.39 118.16 117.21 2daq n LYS 86 Ca -0.10 1.37 -0.21 0.00 -2.02 0.00 0.00 58.31 57.35 2daq n LYS 86 Cb 0.30 -1.87 -0.13 0.00 -0.02 0.00 0.00 35.03 33.31 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 -0.45 0.98 -0.44 -0.18 2.02 -1.97 -3.21 112.91 109.65 2daq h THR 87 Ca -0.07 -2.28 0.08 0.00 0.77 0.00 0.00 66.41 64.91 2daq h THR 87 Cb 0.60 2.51 -0.10 0.00 -1.74 0.00 0.00 68.15 69.42 2daq h THR 87 CO 0.03 0.54 -0.34 0.15 0.37 0.00 0.00 175.52 176.26 2daq h PHE 88 N -0.64 -0.96 -0.76 3.16 3.57 -1.94 1.40 116.94 120.77 2daq h PHE 88 Ca -0.32 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2daq h PHE 88 Cb 1.52 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 40.71 2daq h PHE 88 CO 0.12 -0.39 0.49 -0.22 -2.23 0.00 0.00 178.31 176.08 2daq h LYS 89 N -0.24 1.01 -0.40 1.11 3.64 -1.80 0.52 116.57 120.41 2daq h LYS 89 Ca 0.18 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2daq h LYS 89 Cb 0.55 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2daq h LYS 89 CO -0.57 0.69 -0.12 -0.22 -2.27 0.00 0.00 179.45 176.95 2daq h LYS 90 N 1.04 0.72 -0.12 1.90 3.64 -0.53 -0.97 116.57 122.25 2daq h LYS 90 Ca 0.28 -0.24 -0.19 0.00 -1.27 0.00 0.00 60.65 59.23 2daq h LYS 90 Cb -0.09 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2daq h LYS 90 CO -0.06 0.82 -0.71 0.00 -2.27 0.00 0.00 179.45 177.23 2daq h ALA 91 N 1.21 0.53 0.23 5.00 0.00 0.31 -2.01 119.26 124.54 2daq h ALA 91 Ca 0.11 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2daq h ALA 91 Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2daq h ALA 91 CO 0.04 0.73 -0.11 -0.07 0.00 0.00 0.00 179.25 179.84 2daq h LEU 92 N 0.38 -0.26 0.15 0.00 3.38 0.38 0.21 115.31 119.55 2daq h LEU 92 Ca -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2daq h LEU 92 Cb 1.30 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2daq h LEU 92 CO 0.13 -0.16 -0.19 -0.33 0.09 0.00 0.00 178.44 177.99 2daq h GLU 93 N -0.34 -0.37 -0.05 1.13 5.08 -1.20 -1.93 114.58 116.90 2daq h GLU 93 Ca -0.03 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2daq h GLU 93 Cb 0.26 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2daq h GLU 93 CO 0.05 -0.25 -0.32 0.93 -1.00 0.00 0.00 179.01 178.42 2daq h GLU 94 N -0.39 -0.43 -0.90 2.33 5.08 -1.24 -0.30 114.58 118.74 2daq h GLU 94 Ca 0.01 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.65 2daq h GLU 94 Cb 0.38 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 29.58 2daq h GLU 94 CO -0.07 -0.29 0.24 0.00 -1.00 0.00 0.00 179.01 177.90 2daq h ALA 95 N 0.31 1.33 0.60 3.43 0.00 -0.36 0.10 119.26 124.68 2daq h ALA 95 Ca 0.07 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2daq h ALA 95 Cb 0.56 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2daq h ALA 95 CO -0.30 -0.50 -0.47 0.00 0.00 0.00 0.00 179.25 177.98 2daq h ALA 96 N 1.81 -1.19 -0.02 0.00 0.00 -0.28 -1.69 119.26 117.89 2daq h ALA 96 Ca 0.58 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2daq h ALA 96 Cb 1.20 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2daq h ALA 96 CO -0.69 -1.18 -0.01 1.17 0.00 0.00 0.00 179.25 178.54 2daq n LYS 97 N -5.33 -0.01 -0.30 0.00 3.00 0.28 -0.44 118.16 115.37 2daq n LYS 97 Ca -0.12 0.95 -0.08 0.00 -0.00 0.00 0.00 58.31 59.05 2daq n LYS 97 Cb 0.45 -1.42 -0.07 0.00 0.00 0.00 0.00 35.03 33.99 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 -2.99 -0.31 -0.32 1.64 3.00 -0.78 0.15 116.66 117.04 2daq n ARG 98 Ca 0.00 1.27 0.21 0.00 -0.01 0.00 0.00 57.85 59.32 2daq n ARG 98 Cb 0.01 -1.87 0.42 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 0.74 -0.01 -1.55 3.04 -0.06 1.63 116.94 120.73 2daq h PHE 99 Ca 0.11 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.96 2daq h PHE 99 Cb 0.29 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2daq h PHE 99 CO -0.92 -0.20 -0.69 1.96 -2.02 0.00 0.00 178.31 176.44 2daq h GLN 100 N 0.28 0.07 0.10 1.11 1.08 0.41 -3.08 115.11 115.09 2daq h GLN 100 Ca 0.68 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.82 2daq h GLN 100 Cb 1.52 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.96 2daq h GLN 100 CO -0.63 0.73 -0.05 0.93 -0.95 0.00 0.00 178.83 178.86 2daq h GLU 101 N 0.05 -0.13 -0.28 1.46 5.08 0.78 -2.82 114.58 118.71 2daq h GLU 101 Ca -0.01 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2daq h GLU 101 Cb 1.23 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2daq h GLU 101 CO 0.10 0.36 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.18 2daq h LEU 102 N -0.88 -0.75 -1.86 1.33 4.07 0.12 1.42 115.31 118.75 2daq h LEU 102 Ca -0.01 0.11 0.29 0.00 0.08 0.00 0.00 57.88 58.34 2daq h LEU 102 Cb 0.56 0.32 -0.05 0.00 1.08 0.00 0.00 40.66 42.57 2daq h LEU 102 CO 0.02 -0.11 0.72 0.07 -1.08 0.00 0.00 178.44 178.06 2daq h LYS 103 N -0.06 0.09 0.19 1.13 2.10 -1.68 -1.55 116.57 116.81 2daq h LYS 103 Ca 0.05 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.68 2daq h LYS 103 Cb 0.18 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2daq h LYS 103 CO -0.29 0.06 -0.09 0.00 -2.00 0.00 0.00 179.45 177.12 2daq h ALA 104 N 1.52 -0.98 0.00 0.07 0.00 0.20 -3.47 119.26 116.59 2daq h ALA 104 Ca 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2daq h ALA 104 Cb 1.84 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2daq h ALA 104 CO -0.07 -0.96 0.00 0.43 0.00 0.00 0.00 179.25 178.65 2daq n SER 105 N -2.75 0.00 0.00 0.00 7.64 0.60 -5.09 113.62 114.02 2daq n SER 105 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2daq n SER 105 Cb 0.10 0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2daq n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daq n GLY 106 N -1.17 2.70 2.84 0.23 0.00 -1.18 -4.82 105.19 103.78 2daq n GLY 106 Ca 0.00 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 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 0.70 2.26 -3.95 1.61 -0.04 -1.26 -4.78 135.00 129.54 2daq n PRO 107 Ca 0.00 -2.12 -0.31 0.00 -0.04 0.00 0.00 63.50 61.03 2daq n PRO 107 Cb 0.00 -3.00 -0.14 0.00 -0.04 0.00 0.00 33.50 30.32 2daq n PRO 107 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2daq s SER 108 N 3.91 4.46 -0.17 3.54 0.01 -1.26 -5.05 113.70 119.14 2daq s SER 108 Ca 0.52 -2.85 -0.08 0.00 1.31 0.00 0.00 55.95 54.86 2daq s SER 108 Cb 0.14 -1.65 0.06 0.00 0.21 0.00 0.00 66.02 64.78 2daq s SER 108 CO 0.01 -0.27 0.39 -0.55 0.41 0.00 0.00 173.24 173.23 2daq s SER 109 N -0.00 -0.43 0.00 2.44 0.15 -1.26 -5.21 113.70 109.39 2daq s SER 109 Ca 0.16 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2daq s SER 109 Cb -0.24 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2daq s SER 109 CO -0.02 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.84