#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daq n SER 2 N 0.00 -7.96 -3.87 1.61 7.64 -1.26 -5.06 113.62 104.72 2daq n SER 2 Ca 0.00 0.81 -0.11 0.00 1.01 0.00 0.00 58.87 60.59 2daq n SER 2 Cb 0.00 -5.33 -0.09 0.00 -1.01 0.00 0.00 64.21 57.78 2daq n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2daq s SER 3 N -2.29 0.06 0.00 6.43 0.01 -1.26 -5.17 113.70 111.49 2daq s SER 3 Ca 0.17 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2daq s SER 3 Cb -0.05 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2daq s SER 3 CO 0.77 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2daq n GLY 4 N 0.96 1.78 1.97 3.44 0.00 -1.26 -4.82 105.19 107.25 2daq n GLY 4 Ca -0.20 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2daq n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2daq n SER 5 N 0.00 -3.55 -4.10 1.61 3.41 -1.26 -4.74 113.62 104.98 2daq n SER 5 Ca 0.00 0.81 -0.33 0.00 -0.26 0.00 0.00 58.87 59.09 2daq n SER 5 Cb 0.00 3.37 -0.15 0.00 -0.26 0.00 0.00 64.21 67.18 2daq n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2daq s SER 6 N -2.00 4.33 0.00 4.04 0.15 -1.26 -4.29 113.70 114.66 2daq s SER 6 Ca 0.00 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.41 2daq s SER 6 Cb 0.00 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2daq s SER 6 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2daq n GLY 7 N 4.50 -1.43 3.32 9.45 0.00 -1.26 -4.95 105.19 114.81 2daq n GLY 7 Ca -0.15 0.95 -0.24 0.00 0.00 0.00 0.00 46.02 46.58 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 -5.53 -2.30 1.61 5.02 -1.26 -4.16 118.16 111.54 2daq n LYS 8 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 2daq n LYS 8 Cb 0.00 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.32 2daq n LYS 8 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2daq n LEU 9 N -4.31 -6.33 -4.88 -0.35 4.77 -1.26 -4.97 117.00 99.67 2daq n LEU 9 Ca -0.05 2.91 -0.33 0.00 -0.03 0.00 0.00 56.01 58.51 2daq n LEU 9 Cb 0.58 -3.20 -0.05 0.00 -2.33 0.00 0.00 43.42 38.42 2daq n LEU 9 CO 0.56 -2.68 0.12 -1.00 -1.33 0.00 0.00 177.39 173.05 2daq s HIS 10 N -0.57 3.50 1.13 -1.77 3.76 -1.26 -5.07 115.29 115.01 2daq s HIS 10 Ca 0.00 0.76 -0.18 0.00 -0.15 0.00 0.00 55.06 55.50 2daq s HIS 10 Cb 0.00 -2.16 0.17 0.00 1.11 0.00 0.00 32.58 31.70 2daq s HIS 10 CO 0.00 0.40 0.25 0.66 -0.85 0.00 0.00 174.74 175.20 2daq n TYR 11 N 0.28 -1.96 -3.87 1.40 4.01 -1.26 -3.84 117.16 111.91 2daq n TYR 11 Ca -0.03 -0.04 -0.31 0.00 -0.16 0.00 0.00 57.90 57.37 2daq n TYR 11 Cb 0.52 -1.49 0.01 0.00 -0.31 0.00 0.00 39.34 38.07 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 -2.59 -1.19 -3.72 -0.72 5.02 0.70 -4.94 118.16 110.72 2daq n LYS 12 Ca 0.04 0.57 -0.12 0.00 -2.02 0.00 0.00 58.31 56.77 2daq n LYS 12 Cb 0.53 -2.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.09 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 -5.63 0.21 -0.05 1.97 0.74 -1.19 -4.94 119.66 110.77 2daq s GLN 13 Ca 0.13 0.55 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 2daq s GLN 13 Cb -0.07 -0.11 -0.02 0.00 1.10 0.00 0.00 33.01 33.90 2daq s GLN 13 CO 0.92 -0.17 1.02 0.42 -0.55 0.00 0.00 175.29 176.93 2daq s ILE 14 N 1.33 4.75 0.22 -2.34 -1.09 -1.26 -0.29 121.20 122.51 2daq s ILE 14 Ca -0.09 1.99 -0.08 0.00 -2.23 0.00 0.00 60.65 60.24 2daq s ILE 14 Cb -0.10 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.48 2daq s ILE 14 CO -0.09 0.07 0.34 0.68 -1.23 0.00 0.00 174.94 174.71 2daq s VAL 15 N 1.58 0.01 0.11 2.92 -7.23 0.24 -2.64 120.40 115.39 2daq s VAL 15 Ca 0.51 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2daq s VAL 15 Cb -0.20 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2daq s VAL 15 CO 0.23 -0.04 0.29 0.26 -0.31 0.00 0.00 175.10 175.53 2daq s TRP 16 N -4.06 3.50 0.00 2.82 0.52 0.98 -0.32 118.94 122.38 2daq s TRP 16 Ca 0.27 0.36 0.02 0.00 0.02 0.00 0.00 56.10 56.77 2daq s TRP 16 Cb 0.02 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 2daq s TRP 16 CO 0.09 0.51 -0.03 0.54 0.02 0.00 0.00 176.95 178.08 2daq s VAL 17 N -1.61 3.94 -0.22 4.03 0.11 0.18 -2.44 120.40 124.39 2daq s VAL 17 Ca 0.37 -0.67 -0.21 0.00 -2.93 0.00 0.00 61.98 58.55 2daq s VAL 17 Cb -0.12 -2.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.96 2daq s VAL 17 CO 0.27 0.38 0.63 -0.75 -3.33 0.00 0.00 175.10 172.31 2daq s LYS 18 N -1.49 4.17 0.09 1.54 2.20 -1.25 -2.68 119.74 122.31 2daq s LYS 18 Ca 0.18 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 2daq s LYS 18 Cb -0.11 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2daq s LYS 18 CO 0.09 -0.32 0.00 1.28 -0.36 0.00 0.00 175.35 176.04 2daq n LEU 19 N 5.37 0.25 0.00 5.43 4.77 -1.26 -5.01 117.00 126.55 2daq n LEU 19 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2daq n LEU 19 Cb 0.49 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2daq n LEU 19 CO 0.44 -0.64 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 2daq n GLY 20 N 2.57 -1.79 5.00 -0.72 0.00 -1.24 -4.95 105.19 104.07 2daq n GLY 20 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 0.09 0.00 -0.04 1.61 4.13 -1.26 -3.24 115.26 116.56 2daq n ASN 21 Ca 0.00 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 2daq n ASN 21 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 2daq n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2daq n TYR 22 N 0.00 0.00 -3.92 3.10 9.36 -1.26 -5.14 117.16 119.30 2daq n TYR 22 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 2daq n TYR 22 Cb 0.00 -0.26 0.01 0.00 -0.63 0.00 0.00 39.34 38.46 2daq n TYR 22 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2daq n ARG 23 N -3.65 0.17 -1.88 2.98 0.63 -1.20 -5.17 116.66 108.55 2daq n ARG 23 Ca -0.07 -0.60 -0.30 0.00 -0.92 0.00 0.00 57.85 55.96 2daq n ARG 23 Cb 0.27 0.95 0.07 0.00 0.45 0.00 0.00 32.46 34.19 2daq n ARG 23 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2daq s TRP 24 N -2.53 3.16 0.01 -0.14 0.52 -1.26 -3.63 118.94 115.07 2daq s TRP 24 Ca 0.20 0.93 0.03 0.00 0.02 0.00 0.00 56.10 57.28 2daq s TRP 24 Cb -0.01 -3.24 -0.01 0.00 -1.15 0.00 0.00 33.47 29.06 2daq s TRP 24 CO 0.00 -1.44 -0.10 -0.46 0.02 0.00 0.00 176.95 174.97 2daq s TRP 25 N -3.44 0.86 0.33 -1.98 -0.11 -1.09 -4.96 118.94 108.54 2daq s TRP 25 Ca 0.60 -0.22 -0.27 0.00 1.22 0.00 0.00 56.10 57.42 2daq s TRP 25 Cb -0.11 -0.54 -0.09 0.00 -1.50 0.00 0.00 33.47 31.23 2daq s TRP 25 CO 0.51 -0.01 1.07 -1.25 -4.62 0.00 0.00 176.95 172.65 2daq s PRO 26 N -0.52 4.45 0.15 5.86 0.04 -1.26 0.49 135.00 144.22 2daq s PRO 26 Ca 0.02 1.67 -0.21 0.00 0.04 0.00 0.00 61.00 62.51 2daq s PRO 26 Cb -0.05 -2.93 0.06 0.00 0.04 0.00 0.00 34.50 31.62 2daq s PRO 26 CO 0.00 0.08 0.54 0.00 0.04 0.00 0.00 177.00 177.66 2daq s ALA 27 N -1.37 -1.39 -0.04 8.56 0.00 0.56 -3.16 121.76 124.92 2daq s ALA 27 Ca 0.50 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.80 2daq s ALA 27 Cb -0.28 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2daq s ALA 27 CO 0.35 -0.73 -0.12 -2.00 0.00 0.00 0.00 175.76 173.26 2daq s GLU 28 N -3.77 1.37 0.09 0.00 -6.30 -1.00 0.79 118.70 109.88 2daq s GLU 28 Ca 0.02 -0.41 -0.31 0.00 -2.50 0.00 0.00 54.97 51.76 2daq s GLU 28 Cb -0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 34.13 32.84 2daq s GLU 28 CO -0.13 0.13 1.48 0.42 0.02 0.00 0.00 175.26 177.18 2daq s ILE 29 N 0.28 3.23 0.41 -3.70 1.01 0.60 -1.52 121.20 121.50 2daq s ILE 29 Ca -0.06 0.80 0.07 0.00 0.00 0.00 0.00 60.65 61.46 2daq s ILE 29 Cb -0.11 -3.51 -0.07 0.00 0.01 0.00 0.00 42.46 38.77 2daq s ILE 29 CO 0.02 0.03 0.05 0.00 0.00 0.00 0.00 174.94 175.04 2daq s ASN 31 N -3.76 6.34 0.20 0.00 -0.87 -1.26 -3.89 114.94 111.70 2daq s ASN 31 Ca 0.37 0.44 0.06 0.00 -1.57 0.00 0.00 52.86 52.15 2daq s ASN 31 Cb 0.08 -2.02 0.10 0.00 -0.02 0.00 0.00 41.25 39.39 2daq s ASN 31 CO 0.19 -0.19 1.46 1.55 -2.57 0.00 0.00 177.10 177.54 2daq h PRO 32 N 1.26 0.12 0.00 -0.60 0.13 -1.92 -2.48 132.00 128.51 2daq h PRO 32 Ca -0.49 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2daq h PRO 32 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2daq h PRO 32 CO 0.64 0.84 0.00 0.54 -0.23 0.00 0.00 178.00 179.79 2daq n ARG 33 N -3.69 0.21 -0.07 0.86 3.00 -1.26 -3.56 116.66 112.15 2daq n ARG 33 Ca -0.02 0.35 -0.06 0.00 -0.01 0.00 0.00 57.85 58.11 2daq n ARG 33 Cb 0.74 -1.84 -0.02 0.00 0.00 0.00 0.00 32.46 31.34 2daq n ARG 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2daq h SER 34 N 0.00 0.00 -3.90 0.55 0.87 -1.92 -3.48 113.55 105.67 2daq h SER 34 Ca 0.00 -0.06 -0.53 0.00 -1.23 0.00 0.00 61.79 59.97 2daq h SER 34 Cb 0.49 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 62.64 2daq h SER 34 CO 0.00 0.78 -0.01 1.33 -0.53 0.00 0.00 176.83 178.40 2daq n VAL 35 N -4.62 0.94 -2.53 2.23 0.24 -0.95 -4.95 118.33 108.68 2daq n VAL 35 Ca -0.08 -0.17 -0.36 0.00 -2.04 0.00 0.00 64.34 61.69 2daq n VAL 35 Cb 0.26 -0.95 -0.04 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 -3.98 4.06 0.38 7.34 0.04 -1.26 -4.85 135.00 136.73 2daq s PRO 36 Ca 0.67 1.48 0.23 0.00 0.04 0.00 0.00 61.00 63.42 2daq s PRO 36 Cb -0.26 -2.42 1.34 0.00 0.04 0.00 0.00 34.50 33.19 2daq s PRO 36 CO 0.58 -0.23 1.60 -0.07 0.04 0.00 0.00 177.00 178.92 2daq h LEU 37 N 2.24 0.33 -0.93 -3.56 -0.00 -1.92 0.74 115.31 112.21 2daq h LEU 37 Ca -0.49 0.22 0.17 0.00 -0.00 0.00 0.00 57.88 57.78 2daq h LEU 37 Cb 1.22 0.21 -0.17 0.00 -0.00 0.00 0.00 40.66 41.92 2daq h LEU 37 CO 0.61 -0.33 -0.28 -1.13 -0.00 0.00 0.00 178.44 177.31 2daq h ASN 38 N 0.07 -1.05 -0.03 -0.43 -1.24 -2.00 0.63 115.58 111.52 2daq h ASN 38 Ca 0.83 0.29 -0.01 0.00 0.71 0.00 0.00 56.30 58.12 2daq h ASN 38 Cb 2.27 0.63 -0.00 0.00 0.73 0.00 0.00 38.32 41.95 2daq h ASN 38 CO -0.65 -0.30 -0.00 0.40 -1.29 0.00 0.00 177.43 175.58 2daq h ILE 39 N -0.01 1.25 -0.79 2.57 1.08 0.14 -3.04 117.51 118.72 2daq h ILE 39 Ca 0.41 -0.76 0.18 0.00 -0.39 0.00 0.00 64.86 64.29 2daq h ILE 39 Cb 0.65 1.71 -0.14 0.00 -3.07 0.00 0.00 36.82 35.97 2daq h ILE 39 CO -0.96 0.20 -0.03 1.56 -0.69 0.00 0.00 178.15 178.24 2daq h GLN 40 N -0.25 0.07 -1.26 2.37 4.20 0.11 0.75 115.11 121.10 2daq h GLN 40 Ca 0.01 -0.00 0.38 0.00 0.06 0.00 0.00 58.65 59.09 2daq h GLN 40 Cb 0.33 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.99 2daq h GLN 40 CO 0.00 0.05 0.84 0.78 -0.67 0.00 0.00 178.83 179.83 2daq h GLY 41 N 0.08 0.94 -2.55 3.46 0.00 0.11 -3.41 103.07 101.70 2daq h GLY 41 Ca 0.43 -0.11 -0.55 0.00 0.00 0.00 0.00 47.33 47.10 2daq h GLY 41 CO -0.72 -0.21 -1.08 1.04 0.00 0.00 0.00 176.54 175.56 2daq n LEU 42 N -4.52 -2.53 -4.97 3.11 4.77 0.26 -4.97 117.00 108.14 2daq n LEU 42 Ca 0.32 0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 56.41 2daq n LEU 42 Cb 1.27 -1.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2daq n LEU 42 CO 0.28 -4.57 0.30 -0.54 -1.33 0.00 0.00 177.39 171.53 2daq s LYS 43 N -2.73 2.76 0.05 3.23 1.02 -1.26 -5.08 119.74 117.72 2daq s LYS 43 Ca 0.51 -0.75 -0.06 0.00 0.02 0.00 0.00 55.97 55.69 2daq s LYS 43 Cb -0.23 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2daq s LYS 43 CO 0.72 -0.49 0.30 -2.39 -0.92 0.00 0.00 175.35 172.57 2daq n HIS 44 N -2.17 -0.76 -4.42 3.18 1.44 -1.26 -4.71 115.22 106.53 2daq n HIS 44 Ca 0.05 -0.35 -0.24 0.00 -2.01 0.00 0.00 57.72 55.17 2daq n HIS 44 Cb 0.59 0.17 -0.04 0.00 0.12 0.00 0.00 29.99 30.83 2daq n HIS 44 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2daq n ASP 45 N -0.75 2.93 -0.66 4.39 2.03 -1.26 -4.96 116.55 118.27 2daq n ASP 45 Ca -0.00 -2.67 0.50 0.00 0.52 0.00 0.00 54.79 53.14 2daq n ASP 45 Cb 0.17 0.21 0.78 0.00 -0.72 0.00 0.00 41.12 41.56 2daq n ASP 45 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2daq n LEU 46 N 0.00 0.05 0.00 -2.67 0.00 -1.26 -4.23 117.00 108.89 2daq n LEU 46 Ca -0.13 1.07 0.00 0.00 0.00 0.00 0.00 56.01 56.95 2daq n LEU 46 Cb 0.49 -0.53 0.00 0.00 0.00 0.00 0.00 43.42 43.38 2daq n LEU 46 CO 0.27 -1.09 0.00 0.61 0.00 0.00 0.00 177.39 177.18 2daq n GLY 47 N -1.83 1.31 1.65 -3.96 0.00 -1.26 -5.11 105.19 96.00 2daq n GLY 47 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2daq n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2daq n ASP 48 N 0.00 -8.83 -4.14 1.61 9.92 -1.26 -4.93 116.55 108.92 2daq n ASP 48 Ca 0.00 1.27 -0.09 0.00 -0.53 0.00 0.00 54.79 55.44 2daq n ASP 48 Cb 0.00 -4.90 -0.10 0.00 -0.64 0.00 0.00 41.12 35.48 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 -3.22 0.76 0.04 1.24 -0.12 -0.90 -4.79 117.98 110.99 2daq s PHE 49 Ca 0.00 -1.04 -0.30 0.00 -0.05 0.00 0.00 56.93 55.54 2daq s PHE 49 Cb 0.00 -0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 41.87 2daq s PHE 49 CO 0.00 -0.31 1.17 -1.25 -0.05 0.00 0.00 175.22 174.79 2daq s PRO 50 N -3.91 4.43 0.00 1.99 0.04 -1.25 -2.78 135.00 133.52 2daq s PRO 50 Ca 0.13 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.90 2daq s PRO 50 Cb 0.07 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 2daq s PRO 50 CO -0.05 -0.26 -0.05 0.14 0.04 0.00 0.00 177.00 176.82 2daq s VAL 51 N 1.23 0.34 -0.25 -0.36 -7.23 -0.68 0.12 120.40 113.57 2daq s VAL 51 Ca 0.58 -0.30 -0.10 0.00 -1.81 0.00 0.00 61.98 60.34 2daq s VAL 51 Cb -0.28 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.30 2daq s VAL 51 CO 0.28 0.02 0.16 0.12 -0.31 0.00 0.00 175.10 175.37 2daq s PHE 52 N -0.29 3.26 -0.70 2.82 5.36 -0.58 -2.02 117.98 125.83 2daq s PHE 52 Ca -0.00 0.13 -0.21 0.00 -0.96 0.00 0.00 56.93 55.88 2daq s PHE 52 Cb -0.03 -2.30 0.09 0.00 -0.34 0.00 0.00 43.02 40.45 2daq s PHE 52 CO -0.00 -0.04 0.94 -0.06 -1.46 0.00 0.00 175.22 174.59 2daq s PHE 53 N 1.31 2.84 1.02 10.12 0.40 -0.60 -2.37 117.98 130.71 2daq s PHE 53 Ca 0.07 -0.82 -0.18 0.00 -0.60 0.00 0.00 56.93 55.39 2daq s PHE 53 Cb -0.14 -4.22 -0.02 0.00 0.51 0.00 0.00 43.02 39.14 2daq s PHE 53 CO 0.06 -1.53 -0.32 1.19 0.70 0.00 0.00 175.22 175.32 2daq n PHE 54 N 7.13 -2.15 0.00 0.36 3.72 -1.19 -0.35 117.46 124.99 2daq n PHE 54 Ca 0.00 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 2daq n PHE 54 Cb 0.45 -1.57 0.00 0.00 -0.94 0.00 0.00 39.48 37.42 2daq n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2daq n GLY 55 N 2.42 1.62 0.07 1.37 0.00 -1.26 -4.17 105.19 105.24 2daq n GLY 55 Ca 0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.40 1.61 0.87 -1.85 -3.46 113.55 108.32 2daq h SER 56 Ca 0.00 -0.99 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 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 1.01 0.00 1.41 -0.53 0.00 0.00 176.83 178.72 2daq n HIS 57 N -4.60 0.00 -3.76 2.24 -0.00 0.53 -5.08 115.22 104.54 2daq n HIS 57 Ca -0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.49 2daq n HIS 57 Cb 0.49 -1.20 -0.11 0.00 -0.00 0.00 0.00 29.99 29.17 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 -2.00 -0.35 0.09 0.41 1.47 -1.24 -4.96 116.67 110.09 2daq s ASP 58 Ca 0.00 0.67 -0.06 0.00 1.18 0.00 0.00 52.55 54.33 2daq s ASP 58 Cb 0.00 0.67 -0.05 0.00 -0.34 0.00 0.00 42.92 43.19 2daq s ASP 58 CO 0.00 -0.12 0.35 -0.31 0.68 0.00 0.00 175.17 175.77 2daq s TYR 59 N 0.25 3.53 0.17 2.11 2.02 -1.26 -1.56 117.35 122.62 2daq s TYR 59 Ca -0.01 0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 57.16 2daq s TYR 59 Cb -0.03 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 2daq s TYR 59 CO -0.00 0.51 0.42 0.71 -1.57 0.00 0.00 175.55 175.61 2daq s TYR 60 N -1.49 0.05 -0.17 2.71 2.02 -0.86 -4.95 117.35 114.66 2daq s TYR 60 Ca 0.35 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.61 2daq s TYR 60 Cb -0.13 0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.62 2daq s TYR 60 CO 0.21 -0.81 -0.02 -1.58 -1.57 0.00 0.00 175.55 171.78 2daq s TRP 61 N -3.89 3.04 -0.10 2.71 0.52 -1.26 -1.68 118.94 118.27 2daq s TRP 61 Ca 0.11 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 55.80 2daq s TRP 61 Cb 0.01 -2.01 0.03 0.00 -1.15 0.00 0.00 33.47 30.35 2daq s TRP 61 CO -0.03 -0.11 0.24 0.14 0.02 0.00 0.00 176.95 177.21 2daq s VAL 62 N 0.61 -0.01 0.00 4.03 -7.23 -1.12 -4.85 120.40 111.82 2daq s VAL 62 Ca -0.02 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2daq s VAL 62 Cb -0.14 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.44 2daq s VAL 62 CO 0.02 0.02 0.00 1.57 -0.31 0.00 0.00 175.10 176.41 2daq n HIS 63 N 3.42 -1.37 -3.94 2.82 -0.00 -1.26 -2.11 115.22 112.78 2daq n HIS 63 Ca -0.17 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.77 2daq n HIS 63 Cb 0.56 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.38 2daq n HIS 63 CO 0.00 0.00 0.00 1.14 0.46 0.00 0.00 176.34 177.94 2daq s GLN 64 N -1.61 2.32 0.00 1.57 -2.07 -1.26 -4.57 119.66 114.04 2daq s GLN 64 Ca 0.00 -1.77 0.00 0.00 -1.82 0.00 0.00 55.36 51.77 2daq s GLN 64 Cb 0.00 -2.11 0.00 0.00 -1.09 0.00 0.00 33.01 29.81 2daq s GLN 64 CO 0.00 -0.18 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 2daq n GLY 65 N -1.37 1.66 0.00 2.60 0.00 -1.26 -4.78 105.19 102.04 2daq n GLY 65 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.76 -4.05 1.61 1.74 -1.26 -4.95 116.66 108.50 2daq n ARG 66 Ca 0.00 -0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.73 2daq n ARG 66 Cb 0.00 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.96 4.55 0.14 1.55 -7.23 -1.26 -3.90 120.40 111.29 2daq s VAL 67 Ca 0.02 -0.84 0.08 0.00 -1.81 0.00 0.00 61.98 59.44 2daq s VAL 67 Cb 0.13 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 2daq s VAL 67 CO 0.78 0.06 -0.12 -0.36 -0.31 0.00 0.00 175.10 175.15 2daq s PHE 68 N -1.49 2.64 -0.07 2.82 0.40 -1.02 -4.85 117.98 116.42 2daq s PHE 68 Ca 0.30 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.12 2daq s PHE 68 Cb -0.12 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 2daq s PHE 68 CO 0.23 0.46 1.23 -1.25 0.70 0.00 0.00 175.22 176.58 2daq s PRO 69 N -2.49 4.33 -0.16 0.24 0.04 -1.26 -0.01 135.00 135.68 2daq s PRO 69 Ca 0.22 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 2daq s PRO 69 Cb -0.10 -3.59 -0.00 0.00 0.04 0.00 0.00 34.50 30.84 2daq s PRO 69 CO 0.14 -0.50 1.04 -0.47 0.04 0.00 0.00 177.00 177.24 2daq s TYR 70 N 2.45 3.41 0.22 0.56 6.14 -1.08 -4.89 117.35 124.15 2daq s TYR 70 Ca 0.56 1.51 -0.06 0.00 0.64 0.00 0.00 57.07 59.73 2daq s TYR 70 Cb -0.25 -3.24 -0.06 0.00 0.42 0.00 0.00 41.96 38.83 2daq s TYR 70 CO 0.21 -0.42 0.48 0.08 0.64 0.00 0.00 175.55 176.54 2daq s VAL 71 N 2.59 5.06 -0.99 3.14 1.01 -1.26 -4.96 120.40 125.00 2daq s VAL 71 Ca 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 2daq s VAL 71 Cb -0.17 -3.67 0.32 0.00 0.00 0.00 0.00 36.38 32.86 2daq s VAL 71 CO 0.13 -0.13 1.70 1.21 0.00 0.00 0.00 175.10 178.01 2daq n GLU 72 N -0.38 5.12 0.00 2.72 0.00 -1.26 -4.90 120.64 121.93 2daq n GLU 72 Ca -0.02 -4.68 0.00 0.00 0.00 0.00 0.00 57.16 52.46 2daq n GLU 72 Cb 0.53 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 29.52 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 0.06 0.41 5.00 8.31 0.00 -1.26 -5.04 105.19 112.67 2daq n GLY 73 Ca 0.43 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.68 1.61 2.03 -1.26 -3.30 116.55 112.95 2daq n ASP 74 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2daq n ASP 74 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 2daq n ASP 74 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2daq n LYS 75 N 0.00 0.28 -1.49 -0.67 4.81 -1.26 -5.10 118.16 114.73 2daq n LYS 75 Ca 0.00 -0.93 -0.42 0.00 -0.87 0.00 0.00 58.31 56.09 2daq n LYS 75 Cb 0.00 -0.49 -0.11 0.00 0.02 0.00 0.00 35.03 34.46 2daq n LYS 75 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2daq n SER 76 N 1.42 1.10 -3.94 3.14 2.88 -1.21 -4.83 113.62 112.18 2daq n SER 76 Ca 0.02 0.04 -0.30 0.00 -1.33 0.00 0.00 58.87 57.31 2daq n SER 76 Cb 0.70 -1.15 -0.11 0.00 -0.75 0.00 0.00 64.21 62.90 2daq n SER 76 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2daq s PHE 77 N 9.56 3.62 -0.30 0.66 5.36 -1.26 -4.75 117.98 130.86 2daq s PHE 77 Ca 1.21 -3.28 0.01 0.00 -0.96 0.00 0.00 56.93 53.91 2daq s PHE 77 Cb -0.92 -2.82 0.05 0.00 -0.34 0.00 0.00 43.02 39.00 2daq s PHE 77 CO 0.44 -0.59 1.07 0.00 -1.46 0.00 0.00 175.22 174.67 2daq n ALA 78 N 2.10 -2.92 -3.82 11.12 0.00 -1.26 -5.16 120.51 120.55 2daq n ALA 78 Ca 0.19 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 2daq n ALA 78 Cb 0.35 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2daq n ALA 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2daq s GLU 79 N 0.01 1.68 0.00 0.00 2.02 -1.26 -5.05 118.70 116.09 2daq s GLU 79 Ca 0.03 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.04 2daq s GLU 79 Cb 0.05 0.54 0.00 0.00 0.10 0.00 0.00 34.13 34.82 2daq s GLU 79 CO -0.03 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 174.89 2daq n GLY 80 N -0.50 0.97 2.84 -1.39 0.00 -1.26 -5.12 105.19 100.73 2daq n GLY 80 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 2daq n GLY 80 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2daq s GLN 81 N 0.00 0.05 -1.17 1.61 2.00 -1.26 -5.06 119.66 115.82 2daq s GLN 81 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 55.36 53.31 2daq s GLN 81 Cb 0.00 0.01 0.24 0.00 0.80 0.00 0.00 33.01 34.05 2daq s GLN 81 CO 0.00 -0.07 1.85 -2.37 -0.50 0.00 0.00 175.29 174.20 2daq n THR 82 N 4.04 5.23 0.00 -0.34 5.66 -1.26 -4.13 114.28 123.47 2daq n THR 82 Ca 0.06 -5.21 0.00 0.00 -3.05 0.00 0.00 64.05 55.85 2daq n THR 82 Cb 0.63 -2.04 0.00 0.00 -1.55 0.00 0.00 70.33 67.37 2daq n THR 82 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2daq n SER 83 N 1.78 0.00 -2.81 1.09 2.88 -1.26 -5.16 113.62 110.14 2daq n SER 83 Ca 0.41 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.86 2daq n SER 83 Cb 0.31 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.75 2daq n SER 83 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2daq n ILE 84 N 0.00 0.00 -2.99 2.46 -6.64 -1.26 -5.13 119.36 105.79 2daq n ILE 84 Ca 0.00 -0.71 0.02 0.00 -1.77 0.00 0.00 62.75 60.29 2daq n ILE 84 Cb 0.00 0.05 -0.00 0.00 -1.44 0.00 0.00 39.64 38.25 2daq n ILE 84 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 2daq s ASN 85 N -1.86 -0.89 0.08 7.28 0.01 -1.26 -5.17 114.94 113.14 2daq s ASN 85 Ca 0.02 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 2daq s ASN 85 Cb -0.00 1.19 -0.00 0.00 0.41 0.00 0.00 41.25 42.84 2daq s ASN 85 CO 0.01 -0.11 0.05 0.29 -1.51 0.00 0.00 177.10 175.83 2daq n LYS 86 N 4.19 0.41 -0.09 -0.60 5.02 -1.26 -5.08 118.16 120.75 2daq n LYS 86 Ca 0.08 -0.72 -0.23 0.00 -2.02 0.00 0.00 58.31 55.42 2daq n LYS 86 Cb 0.60 0.50 -0.12 0.00 -0.02 0.00 0.00 35.03 35.99 2daq n LYS 86 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2daq n THR 87 N -0.16 1.58 -0.33 -0.18 -1.04 -1.26 -4.14 114.28 108.76 2daq n THR 87 Ca 0.00 -0.42 -0.09 0.00 -2.04 0.00 0.00 64.05 61.51 2daq n THR 87 Cb 0.13 -1.77 -0.06 0.00 -1.82 0.00 0.00 70.33 66.81 2daq n THR 87 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2daq h PHE 88 N -0.48 -1.59 -0.41 -1.42 3.57 -1.95 0.26 116.94 114.91 2daq h PHE 88 Ca -0.52 0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.17 2daq h PHE 88 Cb 1.72 0.81 -0.09 0.00 2.79 0.00 0.00 35.95 41.18 2daq h PHE 88 CO 0.03 -0.41 -0.22 0.87 -2.23 0.00 0.00 178.31 176.36 2daq h LYS 89 N -0.10 -0.14 -1.12 1.11 1.79 -1.98 0.71 116.57 116.83 2daq h LYS 89 Ca 0.19 0.01 0.31 0.00 -2.18 0.00 0.00 60.65 58.98 2daq h LYS 89 Cb 0.50 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.10 2daq h LYS 89 CO -0.85 -0.09 0.75 0.87 -1.08 0.00 0.00 179.45 179.05 2daq h LYS 90 N -0.14 0.24 0.03 3.15 1.57 -0.71 0.58 116.57 121.29 2daq h LYS 90 Ca 0.20 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2daq h LYS 90 Cb 0.45 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2daq h LYS 90 CO -0.50 0.16 -0.01 0.00 -0.57 0.00 0.00 179.45 178.53 2daq h ALA 91 N 1.56 -0.04 -0.67 3.86 0.00 0.17 -1.63 119.26 122.51 2daq h ALA 91 Ca 0.62 -0.35 0.14 0.00 0.00 0.00 0.00 54.91 55.32 2daq h ALA 91 Cb 1.87 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.57 2daq h ALA 91 CO -0.24 -0.10 0.09 -0.07 0.00 0.00 0.00 179.25 178.93 2daq h LEU 92 N -0.88 -0.12 0.52 0.00 3.38 0.26 1.12 115.31 119.59 2daq h LEU 92 Ca -0.00 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2daq h LEU 92 Cb 0.72 0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.70 2daq h LEU 92 CO 0.01 -0.07 -0.25 -0.33 0.09 0.00 0.00 178.44 177.89 2daq h GLU 93 N 0.20 -0.68 -0.46 1.13 5.08 -0.06 -0.41 114.58 119.37 2daq h GLU 93 Ca 0.36 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.86 2daq h GLU 93 Cb 0.60 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 2daq h GLU 93 CO -0.51 -0.45 -0.32 0.93 -1.00 0.00 0.00 179.01 177.66 2daq h GLU 94 N -0.81 -0.21 -0.92 2.33 5.08 -0.82 0.46 114.58 119.69 2daq h GLU 94 Ca -0.07 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.47 2daq h GLU 94 Cb 0.54 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 2daq h GLU 94 CO 0.12 -0.14 0.51 0.00 -1.00 0.00 0.00 179.01 178.50 2daq h ALA 95 N 0.86 1.46 0.76 3.43 0.00 0.13 -1.34 119.26 124.55 2daq h ALA 95 Ca 0.19 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2daq h ALA 95 Cb 0.54 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2daq h ALA 95 CO -0.58 -0.09 -0.36 0.00 0.00 0.00 0.00 179.25 178.22 2daq h ALA 96 N 1.61 -1.02 -0.35 0.00 0.00 0.15 -2.73 119.26 116.92 2daq h ALA 96 Ca 0.52 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2daq h ALA 96 Cb 0.78 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 2daq h ALA 96 CO -0.38 -1.00 -0.21 1.17 0.00 0.00 0.00 179.25 178.83 2daq n LYS 97 N -5.48 -0.15 -0.29 0.00 3.00 0.10 -0.78 118.16 114.56 2daq n LYS 97 Ca -0.14 1.13 -0.08 0.00 -0.00 0.00 0.00 58.31 59.23 2daq n LYS 97 Cb 0.41 -1.68 -0.07 0.00 0.00 0.00 0.00 35.03 33.70 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 -3.78 -0.30 -0.32 1.64 5.12 -0.61 0.12 116.66 118.53 2daq n ARG 98 Ca 0.01 1.24 0.16 0.00 -1.93 0.00 0.00 57.85 57.33 2daq n ARG 98 Cb 0.09 -1.83 0.34 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 0.30 -0.07 -1.55 3.57 -0.63 1.79 116.94 120.35 2daq h PHE 99 Ca 0.11 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 2daq h PHE 99 Cb 0.28 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2daq h PHE 99 CO -0.90 -0.32 -0.54 1.96 -2.23 0.00 0.00 178.31 176.27 2daq h GLN 100 N 0.11 0.21 0.14 1.11 1.08 0.24 -3.01 115.11 114.99 2daq h GLN 100 Ca 0.61 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.68 2daq h GLN 100 Cb 1.33 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.78 2daq h GLN 100 CO -0.76 0.70 -0.07 0.93 -0.95 0.00 0.00 178.83 178.69 2daq h GLU 101 N 0.16 -0.18 -0.33 1.46 5.08 0.72 -2.31 114.58 119.19 2daq h GLU 101 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2daq h GLU 101 Cb 1.01 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2daq h GLU 101 CO 0.08 0.27 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.05 2daq h LEU 102 N -0.85 -0.86 -1.18 1.33 4.07 0.14 0.82 115.31 118.78 2daq h LEU 102 Ca -0.02 0.12 0.19 0.00 0.08 0.00 0.00 57.88 58.26 2daq h LEU 102 Cb 0.54 0.37 -0.09 0.00 1.08 0.00 0.00 40.66 42.55 2daq h LEU 102 CO 0.03 -0.12 0.61 0.07 -1.08 0.00 0.00 178.44 177.96 2daq h LYS 103 N -0.05 0.63 -0.03 1.13 2.10 -1.65 -2.27 116.57 116.42 2daq h LYS 103 Ca 0.05 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2daq h LYS 103 Cb 0.20 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 2daq h LYS 103 CO -0.34 0.42 -0.05 0.00 -2.00 0.00 0.00 179.45 177.48 2daq h ALA 104 N 1.63 -0.36 -2.89 0.07 0.00 0.12 -3.36 119.26 114.47 2daq h ALA 104 Ca 0.54 -0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.76 2daq h ALA 104 Cb 1.00 0.73 -0.25 0.00 0.00 0.00 0.00 17.79 19.27 2daq h ALA 104 CO -0.31 -0.38 -0.55 0.45 0.00 0.00 0.00 179.25 178.46 2daq s SER 105 N -2.90 5.57 0.00 0.00 0.15 -0.50 -4.99 113.70 111.03 2daq s SER 105 Ca -0.01 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2daq s SER 105 Cb 0.01 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 2daq s SER 105 CO 0.06 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2daq n GLY 106 N 4.96 0.75 3.77 9.45 0.00 -1.25 -4.74 105.19 118.14 2daq n GLY 106 Ca -0.13 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.71 4.36 -0.13 1.61 0.04 -1.26 -4.98 135.00 132.93 2daq s PRO 107 Ca 0.00 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 62.57 2daq s PRO 107 Cb 0.00 -2.80 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 2daq s PRO 107 CO 0.00 0.01 0.10 1.03 0.04 0.00 0.00 177.00 178.17 2daq h SER 108 N 3.03 0.00 -2.87 6.66 0.87 -1.97 -3.47 113.55 115.79 2daq h SER 108 Ca -0.48 -0.21 -0.31 0.00 -1.23 0.00 0.00 61.79 59.56 2daq h SER 108 Cb 1.21 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.82 2daq h SER 108 CO 0.64 0.75 -0.63 -0.94 -0.53 0.00 0.00 176.83 176.12 2daq s SER 109 N -5.84 1.04 0.00 6.23 1.04 -1.26 -5.11 113.70 109.80 2daq s SER 109 Ca -0.10 0.10 0.24 0.00 0.48 0.00 0.00 55.95 56.67 2daq s SER 109 Cb 0.01 0.32 0.19 0.00 0.10 0.00 0.00 66.02 66.63 2daq s SER 109 CO 0.23 -0.28 1.25 0.61 0.98 0.00 0.00 173.24 176.03