#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbd n SER 2 N 0.00 0.00 -3.12 1.61 2.88 -1.26 -5.10 113.62 108.63 2dbd n SER 2 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2dbd n SER 2 Cb 0.00 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2dbd n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dbd s SER 3 N -1.73 -0.59 0.93 -3.46 1.04 -1.26 -5.18 113.70 103.46 2dbd s SER 3 Ca 0.00 0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.35 2dbd s SER 3 Cb 0.00 1.32 0.18 0.00 0.10 0.00 0.00 66.02 67.63 2dbd s SER 3 CO 0.00 -0.10 1.12 0.61 0.98 0.00 0.00 173.24 175.84 2dbd n GLY 4 N 5.04 -0.98 1.29 7.32 0.00 -1.26 -5.01 105.19 111.59 2dbd n GLY 4 Ca 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2dbd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbd n SER 5 N -3.57 -0.21 -4.82 1.61 2.88 -1.26 -5.14 113.62 103.11 2dbd n SER 5 Ca 0.15 0.06 -0.32 0.00 -1.33 0.00 0.00 58.87 57.42 2dbd n SER 5 Cb 0.52 0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 64.46 2dbd n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbd s SER 6 N -2.00 6.28 0.07 -3.46 0.01 -1.26 -5.08 113.70 108.26 2dbd s SER 6 Ca 0.00 1.69 0.00 0.00 1.31 0.00 0.00 55.95 58.96 2dbd s SER 6 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2dbd s SER 6 CO 0.00 -0.82 0.03 0.61 0.41 0.00 0.00 173.24 173.47 2dbd n GLY 7 N -1.24 3.51 3.17 3.44 0.00 -1.26 -5.10 105.19 107.70 2dbd n GLY 7 Ca 0.08 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 2dbd n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dbd s HIS 8 N -0.75 3.50 0.21 1.61 4.02 -1.26 -4.94 115.29 117.68 2dbd s HIS 8 Ca 0.02 -2.18 0.36 0.00 1.02 0.00 0.00 55.06 54.28 2dbd s HIS 8 Cb -0.00 -3.38 1.61 0.00 -1.02 0.00 0.00 32.58 29.79 2dbd s HIS 8 CO 0.01 -0.97 2.07 -1.00 1.02 0.00 0.00 174.74 175.87 2dbd h PRO 9 N 8.09 0.00 0.04 8.40 0.13 -1.99 0.24 132.00 146.92 2dbd h PRO 9 Ca -0.14 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.60 2dbd h PRO 9 Cb 1.05 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 2dbd h PRO 9 CO 0.78 0.00 -2.33 0.72 -0.23 0.00 0.00 178.00 176.94 2dbd n HIS 10 N -3.04 0.39 0.08 1.56 8.25 -1.26 -3.98 115.22 117.22 2dbd n HIS 10 Ca -0.00 0.08 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 2dbd n HIS 10 Cb 0.24 -1.05 -0.04 0.00 1.12 0.00 0.00 29.99 30.26 2dbd n HIS 10 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2dbd h ILE 11 N 0.02 1.48 -0.01 1.59 2.04 -1.87 -3.21 117.51 117.56 2dbd h ILE 11 Ca -0.53 -2.67 -0.07 0.00 1.00 0.00 0.00 64.86 62.58 2dbd h ILE 11 Cb 1.94 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 40.55 2dbd h ILE 11 CO -0.03 0.78 -0.35 -0.61 0.00 0.00 0.00 178.15 177.94 2dbd h GLN 12 N 0.13 0.01 -0.27 2.37 4.15 -0.73 -2.59 115.11 118.18 2dbd h GLN 12 Ca -0.07 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.39 2dbd h GLN 12 Cb 1.61 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.28 2dbd h GLN 12 CO 0.15 0.36 0.19 -0.07 -1.93 0.00 0.00 178.83 177.53 2dbd h LEU 13 N 0.01 0.18 0.10 -2.39 3.38 -1.68 0.28 115.31 115.19 2dbd h LEU 13 Ca -0.00 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2dbd h LEU 13 Cb 0.62 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2dbd h LEU 13 CO 0.05 0.12 -0.74 -0.07 0.09 0.00 0.00 178.44 177.88 2dbd h LEU 14 N 0.20 0.34 -1.14 1.67 3.38 -1.60 -1.98 115.31 116.18 2dbd h LEU 14 Ca 0.12 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 57.10 2dbd h LEU 14 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2dbd h LEU 14 CO -0.02 1.35 -0.01 0.11 0.09 0.00 0.00 178.44 179.96 2dbd h LYS 15 N -0.52 0.59 0.15 1.13 1.57 -1.29 0.39 116.57 118.59 2dbd h LYS 15 Ca -0.14 -0.14 -0.31 0.00 -1.87 0.00 0.00 60.65 58.20 2dbd h LYS 15 Cb 1.51 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 33.77 2dbd h LYS 15 CO 0.09 0.62 -1.30 1.03 -0.57 0.00 0.00 179.45 179.32 2dbd h SER 16 N 0.56 0.85 -0.83 0.86 0.87 -0.58 -3.31 113.55 111.97 2dbd h SER 16 Ca 0.12 -0.81 -0.54 0.00 -1.23 0.00 0.00 61.79 59.32 2dbd h SER 16 Cb 0.37 -0.27 -0.29 0.00 -0.44 0.00 0.00 62.40 61.76 2dbd h SER 16 CO 0.01 1.62 0.27 0.59 -0.53 0.00 0.00 176.83 178.79 2dbd n ASN 17 N -3.76 5.54 0.15 6.23 3.02 -0.74 -4.71 115.26 120.99 2dbd n ASN 17 Ca -0.14 -3.76 -0.14 0.00 -0.03 0.00 0.00 54.58 50.51 2dbd n ASN 17 Cb 1.02 -0.75 -0.08 0.00 -0.61 0.00 0.00 39.78 39.36 2dbd n ASN 17 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2dbd h ARG 18 N 1.72 -0.30 -0.04 3.52 2.43 -0.31 0.42 114.38 121.82 2dbd h ARG 18 Ca 0.49 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.54 2dbd h ARG 18 Cb 1.44 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.04 2dbd h ARG 18 CO 1.12 -0.16 -0.63 0.93 -1.51 0.00 0.00 179.97 179.72 2dbd h GLU 19 N -0.37 0.16 -0.02 0.20 5.08 -1.85 -2.90 114.58 114.88 2dbd h GLU 19 Ca -0.03 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 2dbd h GLU 19 Cb 0.28 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2dbd h GLU 19 CO 0.05 0.74 -0.63 1.25 -1.00 0.00 0.00 179.01 179.41 2dbd h LEU 20 N 0.12 0.11 -0.67 1.33 5.85 -1.84 -2.79 115.31 117.41 2dbd h LEU 20 Ca -0.01 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 2dbd h LEU 20 Cb 1.13 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2dbd h LEU 20 CO 0.09 0.71 -0.65 -0.07 -0.34 0.00 0.00 178.44 178.18 2dbd h LEU 21 N 0.07 0.06 -0.21 2.25 3.38 -0.04 -2.59 115.31 118.22 2dbd h LEU 21 Ca -0.01 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 2dbd h LEU 21 Cb 1.13 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.87 2dbd h LEU 21 CO 0.09 0.69 -0.78 0.58 0.09 0.00 0.00 178.44 179.11 2dbd h VAL 22 N 0.03 1.30 0.00 1.22 2.07 -1.40 0.91 116.25 120.38 2dbd h VAL 22 Ca -0.01 -2.03 -0.11 0.00 0.82 0.00 0.00 66.70 65.38 2dbd h VAL 22 Cb 1.16 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2dbd h VAL 22 CO 0.09 0.63 -0.51 0.74 0.02 0.00 0.00 177.57 178.54 2dbd h THR 23 N 0.47 1.30 0.00 2.57 2.02 -1.48 -3.33 112.91 114.46 2dbd h THR 23 Ca -0.05 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.32 2dbd h THR 23 Cb 1.40 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 69.79 2dbd h THR 23 CO 0.15 0.50 -0.39 0.45 0.37 0.00 0.00 175.52 176.60 2dbd h HIS 24 N 0.00 0.00 -2.80 3.16 -0.00 -1.43 -3.46 115.15 110.62 2dbd h HIS 24 Ca -0.01 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.83 2dbd h HIS 24 Cb 0.94 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.37 2dbd h HIS 24 CO 0.00 0.24 0.91 0.42 -0.00 0.00 0.00 177.93 179.50 2dbd s ILE 25 N -2.03 3.13 -0.08 2.45 1.01 0.31 -4.66 121.20 121.33 2dbd s ILE 25 Ca -0.12 0.66 0.02 0.00 0.00 0.00 0.00 60.65 61.22 2dbd s ILE 25 Cb 0.01 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 2dbd s ILE 25 CO 0.22 0.01 -0.04 -1.14 0.00 0.00 0.00 174.94 174.00 2dbd n ARG 26 N 5.03 1.08 -3.55 2.79 0.63 -1.26 -4.72 116.66 116.66 2dbd n ARG 26 Ca 0.14 0.03 -0.40 0.00 -0.92 0.00 0.00 57.85 56.71 2dbd n ARG 26 Cb 0.41 -1.17 -0.11 0.00 0.45 0.00 0.00 32.46 32.05 2dbd n ARG 26 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2dbd s ASN 27 N -4.48 6.03 -0.17 6.15 -0.87 -1.26 -4.85 114.94 115.48 2dbd s ASN 27 Ca -0.09 -0.35 0.16 0.00 -1.57 0.00 0.00 52.86 51.01 2dbd s ASN 27 Cb 0.03 -2.13 -0.23 0.00 -0.02 0.00 0.00 41.25 38.90 2dbd s ASN 27 CO 0.22 -0.20 0.09 0.35 -2.57 0.00 0.00 177.10 174.99 2dbd n THR 28 N 5.09 1.15 -0.24 1.60 -2.24 -1.26 -4.37 114.28 114.01 2dbd n THR 28 Ca -0.13 -0.75 -0.02 0.00 -2.27 0.00 0.00 64.05 60.89 2dbd n THR 28 Cb 0.50 -0.47 0.10 0.00 -2.10 0.00 0.00 70.33 68.36 2dbd n THR 28 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2dbd h GLN 29 N 0.00 0.74 -0.77 -0.78 -0.00 -1.98 0.44 115.11 112.76 2dbd h GLN 29 Ca -0.46 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.15 2dbd h GLN 29 Cb 2.03 -0.17 -0.04 0.00 0.00 0.00 0.00 27.48 29.30 2dbd h GLN 29 CO 0.02 0.49 0.47 0.00 0.00 0.00 0.00 178.83 179.82 2dbd h LEU 31 N 1.05 0.78 -0.34 0.00 3.38 -1.58 -2.80 115.31 115.80 2dbd h LEU 31 Ca 0.28 -0.32 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 2dbd h LEU 31 Cb -0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2dbd h LEU 31 CO -0.05 1.04 -0.79 0.58 0.09 0.00 0.00 178.44 179.30 2dbd h VAL 32 N 0.63 1.39 -0.09 1.22 2.07 -0.49 -2.66 116.25 118.32 2dbd h VAL 32 Ca 0.07 -2.25 -0.00 0.00 0.82 0.00 0.00 66.70 65.34 2dbd h VAL 32 Cb 0.85 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2dbd h VAL 32 CO 0.07 0.67 0.06 -0.78 0.02 0.00 0.00 177.57 177.61 2dbd h ASP 33 N 0.25 0.11 -0.61 0.57 1.82 -0.12 0.45 116.42 118.90 2dbd h ASP 33 Ca -0.04 -0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.48 2dbd h ASP 33 Cb 1.39 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.34 2dbd h ASP 33 CO 0.13 0.12 0.07 0.78 -1.61 0.00 0.00 179.24 178.74 2dbd h ASN 34 N 0.10 0.99 0.09 2.28 2.35 -1.55 -1.37 115.58 118.46 2dbd h ASN 34 Ca 0.03 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 2dbd h ASN 34 Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2dbd h ASN 34 CO -0.01 1.01 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.53 2dbd h LEU 35 N 0.92 0.18 -0.03 1.61 3.38 -1.25 0.24 115.31 120.36 2dbd h LEU 35 Ca 0.18 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 2dbd h LEU 35 Cb 0.46 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.18 2dbd h LEU 35 CO 0.02 0.37 -0.85 -0.07 0.09 0.00 0.00 178.44 178.00 2dbd h LEU 36 N 0.17 0.80 -0.70 1.67 3.38 -0.55 0.28 115.31 120.36 2dbd h LEU 36 Ca 0.03 -0.72 -0.14 0.00 0.09 0.00 0.00 57.88 57.15 2dbd h LEU 36 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2dbd h LEU 36 CO 0.03 1.41 -0.53 0.50 0.09 0.00 0.00 178.44 179.94 2dbd h LYS 37 N 0.27 0.32 0.00 1.13 1.63 -1.02 -2.67 116.57 116.23 2dbd h LYS 37 Ca -0.10 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2dbd h LYS 37 Cb 1.51 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 2dbd h LYS 37 CO 0.17 0.77 0.00 0.09 -3.45 0.00 0.00 179.45 177.03 2dbd n ASN 38 N -3.94 0.00 -1.92 4.20 3.02 0.05 -4.89 115.26 111.78 2dbd n ASN 38 Ca -0.02 -0.27 -0.12 0.00 -0.03 0.00 0.00 54.58 54.14 2dbd n ASN 38 Cb 0.57 -0.23 0.03 0.00 -0.61 0.00 0.00 39.78 39.54 2dbd n ASN 38 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2dbd n ASP 39 N -1.23 -4.17 -0.13 6.41 -0.08 -1.01 -4.95 116.55 111.39 2dbd n ASP 39 Ca 0.15 -0.21 -0.28 0.00 -1.51 0.00 0.00 54.79 52.94 2dbd n ASP 39 Cb 0.19 -2.93 -0.10 0.00 2.34 0.00 0.00 41.12 40.63 2dbd n ASP 39 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2dbd n TYR 40 N -3.90 0.00 -3.40 -0.67 4.02 0.92 -4.94 117.16 109.19 2dbd n TYR 40 Ca -0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.48 2dbd n TYR 40 Cb 0.55 -0.97 -0.06 0.00 -0.02 0.00 0.00 39.34 38.84 2dbd n TYR 40 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2dbd s PHE 41 N -2.50 3.51 0.67 -0.72 0.40 -0.76 -5.01 117.98 113.57 2dbd s PHE 41 Ca -0.37 0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 56.68 2dbd s PHE 41 Cb 0.14 -2.47 0.04 0.00 0.51 0.00 0.00 43.02 41.24 2dbd s PHE 41 CO 0.49 0.22 0.99 -1.12 0.70 0.00 0.00 175.22 176.50 2dbd s SER 42 N 0.47 5.13 0.41 1.36 0.01 -1.26 -4.61 113.70 115.21 2dbd s SER 42 Ca 0.23 0.62 0.12 0.00 1.31 0.00 0.00 55.95 58.23 2dbd s SER 42 Cb -0.14 -1.40 0.88 0.00 0.21 0.00 0.00 66.02 65.57 2dbd s SER 42 CO 0.08 -1.41 1.96 0.00 0.41 0.00 0.00 173.24 174.28 2dbd h ALA 43 N -0.48 1.60 -0.09 1.44 0.00 -2.00 -2.10 119.26 117.64 2dbd h ALA 43 Ca -0.45 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 2dbd h ALA 43 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2dbd h ALA 43 CO 0.61 0.29 -0.37 0.93 0.00 0.00 0.00 179.25 180.72 2dbd h GLU 44 N 0.14 0.17 0.13 0.00 4.39 -2.00 -2.55 114.58 114.86 2dbd h GLU 44 Ca 0.03 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2dbd h GLU 44 Cb 0.33 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2dbd h GLU 44 CO 0.02 0.52 -0.06 -0.44 -1.16 0.00 0.00 179.01 177.89 2dbd h ASP 45 N 0.15 -0.14 -0.33 1.42 5.19 -1.77 -3.19 116.42 117.75 2dbd h ASP 45 Ca 0.02 -0.41 0.10 0.00 -0.62 0.00 0.00 57.03 56.11 2dbd h ASP 45 Cb 0.72 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 2dbd h ASP 45 CO 0.05 0.41 0.25 0.00 -3.12 0.00 0.00 179.24 176.84 2dbd h ALA 46 N -0.10 2.25 -0.01 3.45 0.00 -1.48 0.80 119.26 124.17 2dbd h ALA 46 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2dbd h ALA 46 Cb 0.55 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dbd h ALA 46 CO 0.03 -0.43 -0.35 1.49 0.00 0.00 0.00 179.25 179.99 2dbd h GLU 47 N 0.00 0.02 0.16 0.00 4.81 -1.45 -1.22 114.58 116.90 2dbd h GLU 47 Ca 0.16 -0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 59.05 2dbd h GLU 47 Cb 0.66 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2dbd h GLU 47 CO -0.00 0.37 -1.66 0.82 -0.73 0.00 0.00 179.01 177.81 2dbd h ILE 48 N 0.02 1.02 0.06 2.32 2.04 -0.87 -3.05 117.51 119.05 2dbd h ILE 48 Ca -0.00 -2.63 -0.00 0.00 1.00 0.00 0.00 64.86 63.23 2dbd h ILE 48 Cb 0.64 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2dbd h ILE 48 CO 0.05 0.83 -0.03 0.58 0.00 0.00 0.00 178.15 179.58 2dbd h VAL 49 N 0.09 1.14 0.00 1.67 2.07 -1.21 -2.96 116.25 117.05 2dbd h VAL 49 Ca -0.30 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 2dbd h VAL 49 Cb 2.07 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 2dbd h VAL 49 CO 0.17 0.17 -0.19 0.00 0.02 0.00 0.00 177.57 177.74 2dbd h ALA 51 N 1.81 1.67 -2.77 0.00 0.00 -1.40 -3.43 119.26 115.14 2dbd h ALA 51 Ca -0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 2dbd h ALA 51 Cb 0.39 0.01 0.17 0.00 0.00 0.00 0.00 17.79 18.36 2dbd h ALA 51 CO 0.02 -0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.06 2dbd h PRO 53 N 0.16 0.36 0.00 0.00 0.13 -1.90 -3.48 132.00 127.27 2dbd h PRO 53 Ca -0.48 -0.42 -0.51 0.00 -0.87 0.00 0.00 66.00 63.72 2dbd h PRO 53 Cb 1.36 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 32.53 2dbd h PRO 53 CO 0.49 1.11 -0.33 0.25 -0.23 0.00 0.00 178.00 179.28 2dbd n THR 54 N -4.24 0.00 0.00 1.56 -2.24 -1.26 -5.07 114.28 103.03 2dbd n THR 54 Ca -0.11 -1.86 -0.10 0.00 -2.27 0.00 0.00 64.05 59.71 2dbd n THR 54 Cb 0.68 0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 69.05 2dbd n THR 54 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2dbd h GLN 55 N 0.00 -0.11 -0.69 -0.78 7.50 -1.93 -3.17 115.11 115.92 2dbd h GLN 55 Ca -0.32 0.01 0.20 0.00 0.50 0.00 0.00 58.65 59.04 2dbd h GLN 55 Cb 1.02 0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.54 2dbd h GLN 55 CO 0.52 0.41 0.59 -1.35 -1.50 0.00 0.00 178.83 177.49 2dbd h PRO 56 N -0.89 0.00 0.00 1.46 0.11 -1.90 0.33 132.00 131.12 2dbd h PRO 56 Ca -0.01 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.91 2dbd h PRO 56 Cb 0.57 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 2dbd h PRO 56 CO 0.02 0.00 -0.86 -0.44 -0.21 0.00 0.00 178.00 176.51 2dbd h ASP 57 N 0.00 0.16 -0.11 -2.05 3.32 -1.97 -3.21 116.42 112.57 2dbd h ASP 57 Ca 0.33 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 2dbd h ASP 57 Cb 1.50 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2dbd h ASP 57 CO -0.00 0.95 -0.25 0.11 -1.72 0.00 0.00 179.24 178.32 2dbd h LYS 58 N 0.07 0.55 0.13 3.56 1.57 -0.32 -2.92 116.57 119.20 2dbd h LYS 58 Ca -0.03 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2dbd h LYS 58 Cb 1.50 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.78 2dbd h LYS 58 CO 0.13 0.76 -0.06 0.28 -0.57 0.00 0.00 179.45 179.98 2dbd h VAL 59 N 0.48 0.91 -0.16 0.50 2.07 -1.50 -1.67 116.25 116.88 2dbd h VAL 59 Ca 0.07 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2dbd h VAL 59 Cb 0.70 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2dbd h VAL 59 CO 0.05 0.03 0.12 -0.09 0.02 0.00 0.00 177.57 177.70 2dbd h ARG 60 N -0.22 0.00 -0.17 1.57 2.43 -1.58 -1.67 114.38 114.74 2dbd h ARG 60 Ca -0.02 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 2dbd h ARG 60 Cb 0.17 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2dbd h ARG 60 CO 0.03 0.00 -0.61 -0.22 -1.51 0.00 0.00 179.97 177.65 2dbd h LYS 61 N 0.00 0.72 -0.68 0.20 1.63 -1.24 -3.00 116.57 114.20 2dbd h LYS 61 Ca 0.08 -0.55 -0.05 0.00 -0.85 0.00 0.00 60.65 59.28 2dbd h LYS 61 Cb 0.31 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 2dbd h LYS 61 CO -0.00 1.16 0.23 0.82 -3.45 0.00 0.00 179.45 178.21 2dbd h ILE 62 N 0.43 1.25 -0.49 2.00 2.04 -0.42 -2.28 117.51 120.04 2dbd h ILE 62 Ca -0.03 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.00 2dbd h ILE 62 Cb 1.24 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2dbd h ILE 62 CO 0.13 0.33 0.29 -0.07 0.00 0.00 0.00 178.15 178.84 2dbd h LEU 63 N 0.99 0.48 -0.88 1.44 3.38 -1.42 -0.71 115.31 118.60 2dbd h LEU 63 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2dbd h LEU 63 Cb 0.28 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2dbd h LEU 63 CO -0.01 0.34 0.41 -0.78 0.09 0.00 0.00 178.44 178.49 2dbd h ASP 64 N 0.59 1.10 0.53 -0.43 3.58 -1.37 -0.03 116.42 120.40 2dbd h ASP 64 Ca 0.19 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2dbd h ASP 64 Cb 0.00 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 40.78 2dbd h ASP 64 CO -0.08 0.93 -0.25 -0.07 -2.88 0.00 0.00 179.24 176.88 2dbd h LEU 65 N 1.20 -0.60 -1.76 2.28 3.38 -0.87 -2.42 115.31 116.52 2dbd h LEU 65 Ca 0.29 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.23 2dbd h LEU 65 Cb 0.12 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2dbd h LEU 65 CO -0.04 -0.30 0.19 0.58 0.09 0.00 0.00 178.44 178.97 2dbd h VAL 66 N -0.91 1.03 -0.01 1.22 2.07 -1.09 -0.83 116.25 117.74 2dbd h VAL 66 Ca -0.07 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2dbd h VAL 66 Cb 0.62 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2dbd h VAL 66 CO 0.12 0.06 -0.29 1.56 0.02 0.00 0.00 177.57 179.04 2dbd h GLN 67 N 0.32 0.01 0.03 1.57 4.20 -0.84 -2.57 115.11 117.83 2dbd h GLN 67 Ca 0.11 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.60 2dbd h GLN 67 Cb 0.06 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2dbd h GLN 67 CO -0.02 0.30 -1.06 1.03 -0.67 0.00 0.00 178.83 178.41 2dbd h SER 68 N 0.01 0.11 0.00 1.46 0.87 -0.66 -3.37 113.55 111.97 2dbd h SER 68 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2dbd h SER 68 Cb 0.52 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2dbd h SER 68 CO 0.04 1.09 0.00 0.29 -0.53 0.00 0.00 176.83 177.72 2dbd n LYS 69 N -3.40 0.00 -2.24 2.24 5.02 -0.91 -5.06 118.16 113.81 2dbd n LYS 69 Ca -0.02 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 2dbd n LYS 69 Cb 0.96 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 2dbd n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dbd n GLY 70 N -0.26 -0.36 0.26 0.72 0.00 -1.07 -4.90 105.19 99.58 2dbd n GLY 70 Ca 0.00 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.61 2dbd n GLY 70 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dbd h GLU 71 N 3.51 0.00 0.46 1.61 5.08 -1.94 -1.18 114.58 122.13 2dbd h GLU 71 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2dbd h GLU 71 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2dbd h GLU 71 CO 0.00 0.12 -0.48 1.49 -1.00 0.00 0.00 179.01 179.13 2dbd h GLU 72 N 0.00 -0.92 0.03 2.33 4.57 -1.95 0.55 114.58 119.20 2dbd h GLU 72 Ca -0.00 0.06 -0.22 0.00 -1.18 0.00 0.00 59.36 58.02 2dbd h GLU 72 Cb 0.31 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2dbd h GLU 72 CO 0.02 -0.61 -0.97 0.28 -1.18 0.00 0.00 179.01 176.54 2dbd h VAL 73 N -0.95 1.50 -0.08 0.32 2.07 -1.88 -3.19 116.25 114.04 2dbd h VAL 73 Ca -0.06 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 64.71 2dbd h VAL 73 Cb 0.83 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2dbd h VAL 73 CO -0.07 0.80 0.05 -1.28 0.02 0.00 0.00 177.57 177.10 2dbd h SER 74 N 0.11 0.09 0.11 0.57 0.87 -1.11 0.69 113.55 114.89 2dbd h SER 74 Ca -0.06 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2dbd h SER 74 Cb 1.63 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 2dbd h SER 74 CO 0.15 0.07 -0.06 -0.08 -0.53 0.00 0.00 176.83 176.38 2dbd h GLU 75 N 0.11 -0.15 -0.97 2.24 4.81 -0.88 -2.73 114.58 117.01 2dbd h GLU 75 Ca 0.03 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2dbd h GLU 75 Cb -0.01 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2dbd h GLU 75 CO -0.01 0.34 0.64 0.35 -0.73 0.00 0.00 179.01 179.60 2dbd h PHE 76 N -0.85 1.22 0.06 0.92 3.57 -1.50 0.21 116.94 120.58 2dbd h PHE 76 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2dbd h PHE 76 Cb 0.56 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2dbd h PHE 76 CO 0.11 0.77 -0.04 0.35 -2.23 0.00 0.00 178.31 177.27 2dbd h PHE 77 N 1.32 -0.11 -0.03 0.41 3.57 -0.94 -1.99 116.94 119.16 2dbd h PHE 77 Ca 0.36 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.74 2dbd h PHE 77 Cb -0.15 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2dbd h PHE 77 CO 0.00 -0.07 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.45 2dbd h LEU 78 N -0.11 0.09 -0.71 0.59 3.38 -1.18 -3.07 115.31 114.30 2dbd h LEU 78 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2dbd h LEU 78 Cb 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2dbd h LEU 78 CO 0.00 0.57 0.46 0.22 0.09 0.00 0.00 178.44 179.77 2dbd h TYR 79 N 0.07 0.91 -0.67 1.13 5.03 -0.20 -2.20 116.97 121.04 2dbd h TYR 79 Ca 0.00 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.34 2dbd h TYR 79 Cb 0.89 -0.30 -0.03 0.00 1.55 0.00 0.00 36.73 38.83 2dbd h TYR 79 CO 0.01 0.59 0.44 -0.07 -1.32 0.00 0.00 178.16 177.81 2dbd h LEU 80 N 0.96 0.75 -2.30 2.82 3.38 -1.27 -0.82 115.31 118.84 2dbd h LEU 80 Ca 0.26 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2dbd h LEU 80 Cb -0.09 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2dbd h LEU 80 CO -0.05 0.54 0.04 -0.07 0.09 0.00 0.00 178.44 178.98 2dbd h LEU 81 N 0.88 0.00 0.11 1.67 3.38 -1.43 0.67 115.31 120.59 2dbd h LEU 81 Ca 0.25 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.02 2dbd h LEU 81 Cb -0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2dbd h LEU 81 CO -0.06 0.00 -0.99 -0.61 0.09 0.00 0.00 178.44 176.87 2dbd h GLN 82 N 0.00 0.22 -0.32 1.13 4.15 -1.13 -1.75 115.11 117.42 2dbd h GLN 82 Ca 0.02 -0.38 -0.17 0.00 0.77 0.00 0.00 58.65 58.88 2dbd h GLN 82 Cb 0.09 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 2dbd h GLN 82 CO -0.00 1.18 -0.49 1.96 -1.93 0.00 0.00 178.83 179.55 2dbd h GLN 83 N -0.46 0.88 0.00 1.69 4.20 -0.96 -3.07 115.11 117.39 2dbd h GLN 83 Ca -0.21 -0.52 -0.02 0.00 0.06 0.00 0.00 58.65 57.96 2dbd h GLN 83 Cb 1.60 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.42 2dbd h GLN 83 CO 0.07 1.16 -0.11 -0.07 -0.67 0.00 0.00 178.83 179.21 2dbd h LEU 84 N 0.69 0.00 -1.91 1.46 3.38 0.19 -3.27 115.31 115.85 2dbd h LEU 84 Ca 0.03 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.14 2dbd h LEU 84 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2dbd h LEU 84 CO 0.11 0.11 0.51 0.00 0.09 0.00 0.00 178.44 179.26 2dbd h ALA 85 N 1.89 2.22 -0.34 1.53 0.00 -1.21 0.12 119.26 123.48 2dbd h ALA 85 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2dbd h ALA 85 Cb 1.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2dbd h ALA 85 CO 0.01 -0.76 0.25 0.22 0.00 0.00 0.00 179.25 178.97 2dbd h ASP 86 N 0.00 0.00 -0.70 0.00 1.82 -1.71 -1.18 116.42 114.65 2dbd h ASP 86 Ca 0.23 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 56.38 2dbd h ASP 86 Cb 1.25 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.94 2dbd h ASP 86 CO -0.00 0.00 -0.27 0.00 -1.61 0.00 0.00 179.24 177.36 2dbd n ALA 87 N -2.59 5.15 -2.58 -0.78 0.00 0.42 -5.00 120.51 115.13 2dbd n ALA 87 Ca 0.05 -3.58 -0.19 0.00 0.00 0.00 0.00 53.44 49.73 2dbd n ALA 87 Cb 0.42 -0.74 -0.12 0.00 0.00 0.00 0.00 19.45 19.02 2dbd n ALA 87 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2dbd s TYR 88 N -3.57 1.38 -0.09 0.00 1.51 -0.45 -5.05 117.35 111.09 2dbd s TYR 88 Ca 0.53 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 2dbd s TYR 88 Cb 0.43 -0.75 -0.11 0.00 -0.11 0.00 0.00 41.96 41.42 2dbd s TYR 88 CO 0.02 0.12 0.03 1.33 -1.11 0.00 0.00 175.55 175.94 2dbd n VAL 89 N 0.87 0.62 0.09 0.71 0.24 -1.26 -4.66 118.33 114.93 2dbd n VAL 89 Ca -0.18 -0.38 -0.22 0.00 -2.04 0.00 0.00 64.34 61.51 2dbd n VAL 89 Cb 0.55 -0.76 -0.15 0.00 -1.47 0.00 0.00 33.84 32.02 2dbd n VAL 89 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2dbd h ASP 90 N 0.00 0.62 -3.53 -1.34 3.32 -1.97 -3.45 116.42 110.08 2dbd h ASP 90 Ca -0.25 -0.86 -0.62 0.00 0.02 0.00 0.00 57.03 55.33 2dbd h ASP 90 Cb 1.56 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.76 2dbd h ASP 90 CO 0.01 1.71 -0.50 -0.76 -1.72 0.00 0.00 179.24 177.99 2dbd s LEU 91 N -7.30 4.13 0.00 1.55 1.43 -1.26 -4.76 118.68 112.48 2dbd s LEU 91 Ca -0.13 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2dbd s LEU 91 Cb 0.05 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2dbd s LEU 91 CO 0.87 0.08 0.00 0.54 0.23 0.00 0.00 176.35 178.07 2dbd n ARG 92 N 4.17 0.00 0.19 1.70 1.74 -1.26 -4.65 116.66 118.54 2dbd n ARG 92 Ca -0.15 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.99 2dbd n ARG 92 Cb 0.52 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.25 2dbd n ARG 92 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2dbd h PRO 93 N 0.00 0.00 0.03 5.56 0.13 -1.95 -3.28 132.00 132.48 2dbd h PRO 93 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2dbd h PRO 93 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dbd h PRO 93 CO 0.00 0.36 -0.11 2.35 -0.23 0.00 0.00 178.00 180.36 2dbd h TRP 94 N 0.00 -0.29 -0.27 1.56 7.01 -1.93 0.28 115.95 122.31 2dbd h TRP 94 Ca -0.00 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.07 2dbd h TRP 94 Cb 0.98 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.16 2dbd h TRP 94 CO 0.00 -0.17 0.19 -0.07 -2.79 0.00 0.00 178.44 175.60 2dbd h LEU 95 N -0.21 0.06 -0.17 0.65 3.38 -1.97 0.85 115.31 117.91 2dbd h LEU 95 Ca 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 2dbd h LEU 95 Cb 0.24 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2dbd h LEU 95 CO -0.09 0.04 -0.92 -0.07 0.09 0.00 0.00 178.44 177.49 2dbd h LEU 96 N 0.07 0.02 0.13 1.67 3.38 -1.43 -1.58 115.31 117.57 2dbd h LEU 96 Ca 0.12 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.78 2dbd h LEU 96 Cb 0.41 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.18 2dbd h LEU 96 CO -0.01 0.93 -1.26 -0.33 0.09 0.00 0.00 178.44 177.86 2dbd h GLU 97 N 0.00 0.62 -0.03 1.13 3.07 0.72 -3.32 114.58 116.78 2dbd h GLU 97 Ca -0.01 -0.84 -0.24 0.00 -0.50 0.00 0.00 59.36 57.77 2dbd h GLU 97 Cb 1.62 0.28 0.01 0.00 -0.84 0.00 0.00 28.75 29.82 2dbd h GLU 97 CO 0.12 1.39 -0.94 -0.84 -1.40 0.00 0.00 179.01 177.34 2dbd h ILE 98 N 0.26 1.34 -2.98 3.13 3.07 -0.99 -3.49 117.51 117.85 2dbd h ILE 98 Ca -0.19 -2.29 0.00 0.00 1.55 0.00 0.00 64.86 63.93 2dbd h ILE 98 Cb 1.93 2.32 0.00 0.00 -0.27 0.00 0.00 36.82 40.80 2dbd h ILE 98 CO 0.24 0.70 0.00 0.61 -1.05 0.00 0.00 178.15 178.65 2dbd n GLY 99 N 0.92 0.13 0.07 0.16 0.00 -0.60 -5.01 105.19 100.86 2dbd n GLY 99 Ca -0.08 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2dbd n GLY 99 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2dbd h PHE 100 N 0.00 -0.02 -3.77 1.61 3.04 -1.90 -3.46 116.94 112.43 2dbd h PHE 100 Ca 0.00 -0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.74 2dbd h PHE 100 Cb 0.99 0.01 -0.26 0.00 2.56 0.00 0.00 35.95 39.25 2dbd h PHE 100 CO 0.00 0.56 -0.70 0.45 -2.02 0.00 0.00 178.31 176.60 2dbd s SER 101 N -5.77 0.06 0.39 0.41 0.15 -1.26 -5.08 113.70 102.59 2dbd s SER 101 Ca -0.16 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2dbd s SER 101 Cb 0.01 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2dbd s SER 101 CO 0.66 -0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.76 2dbd n SER 102 N 2.63 -8.12 0.00 5.45 2.88 -1.26 -4.99 113.62 110.22 2dbd n SER 102 Ca -0.16 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2dbd n SER 102 Cb 0.58 -4.17 0.00 0.00 -0.75 0.00 0.00 64.21 59.88 2dbd n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbd n GLY 103 N -0.20 2.51 3.64 0.46 0.00 -1.26 -4.95 105.19 105.40 2dbd n GLY 103 Ca 0.00 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 2dbd n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbd s PRO 104 N 0.00 3.93 -0.30 1.61 0.04 -1.26 -4.96 135.00 134.06 2dbd s PRO 104 Ca 0.00 1.74 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 2dbd s PRO 104 Cb 0.00 -3.99 0.17 0.00 0.04 0.00 0.00 34.50 30.72 2dbd s PRO 104 CO 0.00 -1.13 0.74 -1.12 0.04 0.00 0.00 177.00 175.53 2dbd s SER 105 N 3.72 -1.07 0.79 6.66 0.01 -1.26 -5.17 113.70 117.37 2dbd s SER 105 Ca 0.69 0.95 -0.10 0.00 1.31 0.00 0.00 55.95 58.80 2dbd s SER 105 Cb -0.26 2.01 0.10 0.00 0.21 0.00 0.00 66.02 68.09 2dbd s SER 105 CO 0.27 -0.20 1.12 -0.44 0.41 0.00 0.00 173.24 174.40 2dbd s SER 106 N 2.83 4.33 0.00 2.44 0.01 -1.26 -5.31 113.70 116.74 2dbd s SER 106 Ca 0.08 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2dbd s SER 106 Cb -0.12 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.23 2dbd s SER 106 CO -0.18 -1.95 0.08 0.61 0.41 0.00 0.00 173.24 172.21