#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbd s SER 2 N 0.00 6.32 -0.22 1.61 0.01 -1.26 -4.80 113.70 115.36 2dbd s SER 2 Ca 0.00 0.39 -0.09 0.00 1.31 0.00 0.00 55.95 57.56 2dbd s SER 2 Cb 0.00 -2.00 0.03 0.00 0.21 0.00 0.00 66.02 64.26 2dbd s SER 2 CO 0.00 0.33 0.18 -1.20 0.41 0.00 0.00 173.24 172.96 2dbd n SER 3 N 1.47 -2.51 -2.72 2.44 7.64 -1.26 -5.04 113.62 113.63 2dbd n SER 3 Ca -0.15 1.35 -0.08 0.00 1.01 0.00 0.00 58.87 60.99 2dbd n SER 3 Cb 0.54 -5.20 0.08 0.00 -1.01 0.00 0.00 64.21 58.61 2dbd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbd n GLY 4 N 1.38 0.13 3.58 0.23 0.00 -1.26 -5.13 105.19 104.12 2dbd n GLY 4 Ca -0.30 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 2dbd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbd s SER 5 N -1.21 -0.80 -0.29 1.61 0.01 -1.26 -5.14 113.70 106.62 2dbd s SER 5 Ca 0.24 1.38 0.04 0.00 1.31 0.00 0.00 55.95 58.92 2dbd s SER 5 Cb 0.27 1.32 0.19 0.00 0.21 0.00 0.00 66.02 68.01 2dbd s SER 5 CO -0.12 -0.23 0.57 -0.55 0.41 0.00 0.00 173.24 173.32 2dbd s SER 6 N 1.08 -1.35 0.00 2.44 0.15 -1.26 -5.16 113.70 109.60 2dbd s SER 6 Ca -0.06 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2dbd s SER 6 Cb -0.05 1.97 0.00 0.00 -1.71 0.00 0.00 66.02 66.22 2dbd s SER 6 CO -0.11 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.65 2dbd n GLY 7 N 5.42 -0.67 3.54 9.45 0.00 -1.26 -4.79 105.19 116.87 2dbd n GLY 7 Ca 0.03 -1.17 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 2dbd n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dbd n HIS 8 N 0.00 1.67 0.30 1.61 -0.00 -1.26 -4.81 115.22 112.73 2dbd n HIS 8 Ca 0.00 0.07 0.18 0.00 -0.00 0.00 0.00 57.72 57.97 2dbd n HIS 8 Cb 0.00 -2.63 0.95 0.00 -0.00 0.00 0.00 29.99 28.31 2dbd n HIS 8 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2dbd h PRO 9 N 15.06 0.00 0.00 -0.41 0.11 -1.98 0.79 132.00 145.57 2dbd h PRO 9 Ca -0.31 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.51 2dbd h PRO 9 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 2dbd h PRO 9 CO 1.04 0.03 -1.65 0.72 -0.21 0.00 0.00 178.00 177.94 2dbd n HIS 10 N -3.38 0.58 0.23 0.65 8.25 -1.26 -3.58 115.22 116.71 2dbd n HIS 10 Ca -0.02 0.25 0.07 0.00 -0.26 0.00 0.00 57.72 57.76 2dbd n HIS 10 Cb 0.15 -1.00 0.53 0.00 1.12 0.00 0.00 29.99 30.80 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 -1.00 1.03 0.01 1.59 2.04 -1.89 -2.47 117.51 116.81 2dbd h ILE 11 Ca -0.43 -0.69 -0.21 0.00 1.00 0.00 0.00 64.86 64.53 2dbd h ILE 11 Cb 1.33 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2dbd h ILE 11 CO -0.26 0.19 -0.93 -0.61 0.00 0.00 0.00 178.15 176.54 2dbd h GLN 12 N 0.00 0.26 -0.23 2.37 4.15 -1.03 -2.83 115.11 117.79 2dbd h GLN 12 Ca -0.00 -0.30 -0.00 0.00 0.77 0.00 0.00 58.65 59.12 2dbd h GLN 12 Cb 0.37 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2dbd h GLN 12 CO 0.03 1.02 0.14 -0.07 -1.93 0.00 0.00 178.83 178.02 2dbd h LEU 13 N 0.14 0.27 0.02 -2.39 3.38 -1.50 0.97 115.31 116.20 2dbd h LEU 13 Ca -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2dbd h LEU 13 Cb 1.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2dbd h LEU 13 CO 0.15 0.21 -0.20 -0.07 0.09 0.00 0.00 178.44 178.61 2dbd h LEU 14 N 0.32 0.07 0.60 1.67 3.38 -1.53 -2.55 115.31 117.27 2dbd h LEU 14 Ca 0.08 -0.97 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 2dbd h LEU 14 Cb -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2dbd h LEU 14 CO -0.02 1.09 -0.30 0.11 0.09 0.00 0.00 178.44 179.42 2dbd h LYS 15 N -0.90 -0.79 -0.31 1.13 1.57 -1.30 0.11 116.57 116.08 2dbd h LYS 15 Ca -0.04 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2dbd h LYS 15 Cb 1.12 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 2dbd h LYS 15 CO 0.01 -0.53 0.18 1.03 -0.57 0.00 0.00 179.45 179.57 2dbd h SER 16 N -0.82 0.29 -2.00 0.86 0.87 -0.98 -2.93 113.55 108.83 2dbd h SER 16 Ca -0.08 0.00 -0.75 0.00 -1.23 0.00 0.00 61.79 59.73 2dbd h SER 16 Cb 0.63 -0.06 -0.29 0.00 -0.44 0.00 0.00 62.40 62.25 2dbd h SER 16 CO 0.13 0.21 0.83 0.59 -0.53 0.00 0.00 176.83 178.06 2dbd n ASN 17 N -4.92 7.13 -0.04 6.23 3.02 -0.96 -4.70 115.26 121.02 2dbd n ASN 17 Ca -0.01 -3.80 -0.00 0.00 -0.03 0.00 0.00 54.58 50.74 2dbd n ASN 17 Cb 0.05 -1.01 -0.00 0.00 -0.61 0.00 0.00 39.78 38.21 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 3.15 0.00 -0.12 3.52 2.43 -0.59 -3.09 114.38 119.68 2dbd h ARG 18 Ca 0.52 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 2dbd h ARG 18 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2dbd h ARG 18 CO 1.32 0.00 0.08 0.93 -1.51 0.00 0.00 179.97 180.79 2dbd h GLU 19 N -0.85 0.16 -0.33 0.20 5.08 -1.85 -1.47 114.58 115.53 2dbd h GLU 19 Ca 0.00 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2dbd h GLU 19 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2dbd h GLU 19 CO 0.00 0.10 -0.21 1.25 -1.00 0.00 0.00 179.01 179.15 2dbd h LEU 20 N 0.16 0.63 -0.60 1.33 5.85 -1.89 -2.52 115.31 118.27 2dbd h LEU 20 Ca 0.04 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.40 2dbd h LEU 20 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2dbd h LEU 20 CO -0.01 0.84 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.30 2dbd h LEU 21 N 0.55 0.47 -1.10 2.25 3.38 -1.19 -2.28 115.31 117.39 2dbd h LEU 21 Ca 0.08 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2dbd h LEU 21 Cb 0.67 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2dbd h LEU 21 CO 0.05 0.93 -0.44 0.58 0.09 0.00 0.00 178.44 179.65 2dbd h VAL 22 N 0.32 1.23 0.00 1.22 2.07 -1.24 0.42 116.25 120.27 2dbd h VAL 22 Ca 0.00 -1.53 -0.22 0.00 0.82 0.00 0.00 66.70 65.77 2dbd h VAL 22 Cb 1.08 1.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 2dbd h VAL 22 CO 0.10 0.43 -1.11 0.74 0.02 0.00 0.00 177.57 177.75 2dbd h THR 23 N 0.00 1.59 0.00 2.57 2.02 -1.32 -3.38 112.91 114.39 2dbd h THR 23 Ca -0.00 -3.32 -0.07 0.00 0.77 0.00 0.00 66.41 63.79 2dbd h THR 23 Cb 0.81 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 70.00 2dbd h THR 23 CO 0.06 0.91 -0.63 0.45 0.37 0.00 0.00 175.52 176.68 2dbd h HIS 24 N 0.00 0.00 -4.17 3.16 -0.00 -1.23 -3.47 115.15 109.44 2dbd h HIS 24 Ca -0.05 0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 59.78 2dbd h HIS 24 Cb 1.81 0.00 0.16 0.00 -0.00 0.00 0.00 27.41 29.38 2dbd h HIS 24 CO 0.00 0.48 0.41 0.42 -0.00 0.00 0.00 177.93 179.24 2dbd s ILE 25 N -2.19 2.26 0.00 2.45 1.01 0.14 -4.66 121.20 120.22 2dbd s ILE 25 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2dbd s ILE 25 Cb 0.03 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.74 2dbd s ILE 25 CO 0.32 -0.06 0.00 0.54 0.00 0.00 0.00 174.94 175.74 2dbd n ARG 26 N -2.60 0.00 -3.16 2.79 3.00 -1.26 -4.78 116.66 110.65 2dbd n ARG 26 Ca 0.14 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.58 2dbd n ARG 26 Cb 0.50 -0.22 -0.06 0.00 0.00 0.00 0.00 32.46 32.68 2dbd n ARG 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2dbd s ASN 27 N -4.49 6.68 -0.09 0.55 0.01 -1.26 -4.92 114.94 111.42 2dbd s ASN 27 Ca 0.00 0.82 0.08 0.00 -0.71 0.00 0.00 52.86 53.06 2dbd s ASN 27 Cb 0.00 -2.33 -0.12 0.00 0.41 0.00 0.00 41.25 39.21 2dbd s ASN 27 CO 0.00 -0.21 0.04 0.35 -1.51 0.00 0.00 177.10 175.77 2dbd n THR 28 N 4.49 0.62 0.10 1.60 -2.24 -1.26 -4.53 114.28 113.06 2dbd n THR 28 Ca -0.03 -0.39 0.14 0.00 -2.27 0.00 0.00 64.05 61.50 2dbd n THR 28 Cb 0.50 -0.71 0.65 0.00 -2.10 0.00 0.00 70.33 68.67 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 0.04 -0.11 -0.78 -0.00 -1.99 -0.79 115.11 111.47 2dbd h GLN 29 Ca -0.24 -0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.21 2dbd h GLN 29 Cb 1.53 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 29.00 2dbd h GLN 29 CO 0.01 0.03 -0.73 0.00 0.00 0.00 0.00 178.83 178.14 2dbd h LEU 31 N 0.38 0.93 -0.18 0.00 3.38 -1.41 -2.52 115.31 115.89 2dbd h LEU 31 Ca -0.04 -0.32 -0.22 0.00 0.09 0.00 0.00 57.88 57.39 2dbd h LEU 31 Cb 1.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2dbd h LEU 31 CO 0.14 1.08 -0.93 0.58 0.09 0.00 0.00 178.44 179.40 2dbd h VAL 32 N 0.81 1.41 0.58 1.22 2.07 -1.38 -2.55 116.25 118.42 2dbd h VAL 32 Ca 0.12 -2.47 -0.03 0.00 0.82 0.00 0.00 66.70 65.14 2dbd h VAL 32 Cb 0.71 2.43 0.01 0.00 -1.52 0.00 0.00 31.29 32.91 2dbd h VAL 32 CO 0.05 0.74 -0.28 0.44 0.02 0.00 0.00 177.57 178.54 2dbd h ASP 33 N 0.22 -0.66 -0.08 0.57 5.19 -1.13 0.36 116.42 120.88 2dbd h ASP 33 Ca -0.08 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.31 2dbd h ASP 33 Cb 1.57 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 41.24 2dbd h ASP 33 CO 0.16 -0.47 -0.07 0.78 -3.12 0.00 0.00 179.24 176.52 2dbd h ASN 34 N -0.79 0.32 0.34 6.45 2.35 -1.56 -2.33 115.58 120.36 2dbd h ASN 34 Ca -0.08 -0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.45 2dbd h ASN 34 Cb 0.60 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2dbd h ASN 34 CO 0.13 0.44 -0.64 -0.07 -1.65 0.00 0.00 177.43 175.64 2dbd h LEU 35 N 0.33 0.32 -0.92 1.61 3.38 -1.18 -2.66 115.31 116.19 2dbd h LEU 35 Ca 0.07 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 2dbd h LEU 35 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2dbd h LEU 35 CO 0.02 0.87 -0.44 -0.07 0.09 0.00 0.00 178.44 178.91 2dbd h LEU 36 N 0.20 0.23 -0.37 1.67 3.38 0.23 -0.68 115.31 119.97 2dbd h LEU 36 Ca -0.01 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 2dbd h LEU 36 Cb 1.16 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2dbd h LEU 36 CO 0.10 0.64 -0.82 0.50 0.09 0.00 0.00 178.44 178.96 2dbd h LYS 37 N 0.18 0.09 -0.00 1.13 3.64 -1.36 -3.02 116.57 117.23 2dbd h LYS 37 Ca 0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2dbd h LYS 37 Cb 0.85 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2dbd h LYS 37 CO 0.07 0.86 0.00 0.09 -2.27 0.00 0.00 179.45 178.20 2dbd n ASN 38 N -3.64 0.35 -1.80 4.20 3.02 -1.01 -4.89 115.26 111.49 2dbd n ASN 38 Ca -0.02 -1.12 -0.15 0.00 -0.03 0.00 0.00 54.58 53.27 2dbd n ASN 38 Cb 0.78 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 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 -0.72 -4.46 -0.09 6.41 2.03 -1.07 -4.91 116.55 113.74 2dbd n ASP 39 Ca 0.23 -0.08 -0.12 0.00 0.52 0.00 0.00 54.79 55.34 2dbd n ASP 39 Cb 0.17 -3.52 -0.15 0.00 -0.72 0.00 0.00 41.12 36.90 2dbd n ASP 39 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2dbd n TYR 40 N -4.05 0.19 -4.26 -0.67 4.01 -0.29 -4.97 117.16 107.12 2dbd n TYR 40 Ca -0.14 0.06 -0.28 0.00 -0.16 0.00 0.00 57.90 57.38 2dbd n TYR 40 Cb 0.61 -1.03 -0.10 0.00 -0.31 0.00 0.00 39.34 38.51 2dbd n TYR 40 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2dbd s PHE 41 N -2.51 2.67 0.40 -0.72 0.40 -1.09 -5.00 117.98 112.12 2dbd s PHE 41 Ca -0.16 -0.20 0.08 0.00 -0.60 0.00 0.00 56.93 56.05 2dbd s PHE 41 Cb 0.07 -1.36 -0.07 0.00 0.51 0.00 0.00 43.02 42.17 2dbd s PHE 41 CO 0.77 0.46 0.04 -1.12 0.70 0.00 0.00 175.22 176.07 2dbd s SER 42 N -2.47 4.03 0.48 1.36 0.01 -1.26 -4.59 113.70 111.25 2dbd s SER 42 Ca 0.22 -1.25 0.13 0.00 1.31 0.00 0.00 55.95 56.37 2dbd s SER 42 Cb -0.10 -0.43 1.14 0.00 0.21 0.00 0.00 66.02 66.84 2dbd s SER 42 CO 0.14 -0.43 2.11 0.00 0.41 0.00 0.00 173.24 175.47 2dbd h ALA 43 N 1.71 1.93 0.12 1.44 0.00 -2.01 -1.16 119.26 121.30 2dbd h ALA 43 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2dbd h ALA 43 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dbd h ALA 43 CO 0.76 0.05 -0.06 0.93 0.00 0.00 0.00 179.25 180.93 2dbd h GLU 44 N 0.19 -0.15 -0.24 0.00 4.39 -1.99 -0.73 114.58 116.05 2dbd h GLU 44 Ca 0.07 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2dbd h GLU 44 Cb 0.05 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2dbd h GLU 44 CO -0.01 0.08 0.08 -0.44 -1.16 0.00 0.00 179.01 177.56 2dbd h ASP 45 N -0.38 0.35 -0.09 1.42 3.32 -1.87 -2.59 116.42 116.58 2dbd h ASP 45 Ca -0.02 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.84 2dbd h ASP 45 Cb 0.31 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2dbd h ASP 45 CO 0.03 0.46 0.06 0.00 -1.72 0.00 0.00 179.24 178.07 2dbd h ALA 46 N 0.91 1.97 -0.22 3.45 0.00 -1.22 -1.26 119.26 122.89 2dbd h ALA 46 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2dbd h ALA 46 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2dbd h ALA 46 CO -0.00 0.02 -0.29 0.93 0.00 0.00 0.00 179.25 179.90 2dbd h GLU 47 N 0.09 0.43 -0.17 0.00 5.08 -0.74 -2.58 114.58 116.71 2dbd h GLU 47 Ca 0.04 -0.17 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 2dbd h GLU 47 Cb 0.03 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2dbd h GLU 47 CO -0.01 0.69 -0.62 0.82 -1.00 0.00 0.00 179.01 178.89 2dbd h ILE 48 N 0.38 1.31 0.53 3.13 2.04 -1.03 -2.45 117.51 121.40 2dbd h ILE 48 Ca 0.05 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 2dbd h ILE 48 Cb 0.71 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2dbd h ILE 48 CO 0.05 0.58 -0.28 0.58 0.00 0.00 0.00 178.15 179.09 2dbd h VAL 49 N 0.41 0.43 0.00 1.67 2.07 -1.34 -2.46 116.25 117.03 2dbd h VAL 49 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2dbd h VAL 49 Cb 1.25 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2dbd h VAL 49 CO 0.13 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.69 2dbd h ALA 51 N 1.96 1.61 -2.76 0.00 0.00 -0.94 -3.43 119.26 115.70 2dbd h ALA 51 Ca -0.00 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2dbd h ALA 51 Cb 0.07 0.01 0.15 0.00 0.00 0.00 0.00 17.79 18.02 2dbd h ALA 51 CO 0.00 -0.25 0.18 0.00 0.00 0.00 0.00 179.25 179.19 2dbd h PRO 53 N 0.81 0.43 0.00 0.00 0.13 -1.89 -3.47 132.00 128.01 2dbd h PRO 53 Ca -0.48 -0.47 -0.46 0.00 -0.87 0.00 0.00 66.00 63.73 2dbd h PRO 53 Cb 1.35 0.13 -0.09 0.00 0.13 0.00 0.00 31.00 32.52 2dbd h PRO 53 CO 0.53 1.12 -0.35 0.25 -0.23 0.00 0.00 178.00 179.32 2dbd n THR 54 N -3.75 0.00 -0.02 1.56 -2.24 -1.26 -5.08 114.28 103.49 2dbd n THR 54 Ca -0.07 -1.78 -0.12 0.00 -2.27 0.00 0.00 64.05 59.82 2dbd n THR 54 Cb 0.84 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 2dbd n THR 54 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2dbd h GLN 55 N 0.00 -0.06 -0.90 -0.78 5.75 -1.94 -3.21 115.11 113.97 2dbd h GLN 55 Ca -0.28 0.00 0.26 0.00 -0.15 0.00 0.00 58.65 58.49 2dbd h GLN 55 Cb 0.93 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.46 2dbd h GLN 55 CO 0.46 0.57 0.70 -1.35 -2.65 0.00 0.00 178.83 176.56 2dbd h PRO 56 N -0.84 0.00 0.00 -2.39 0.11 -1.91 0.47 132.00 127.44 2dbd h PRO 56 Ca -0.01 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.92 2dbd h PRO 56 Cb 0.66 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 2dbd h PRO 56 CO 0.01 0.00 -0.84 -0.44 -0.21 0.00 0.00 178.00 176.52 2dbd h ASP 57 N 0.00 0.08 -0.31 -2.05 5.19 -1.96 -3.16 116.42 114.20 2dbd h ASP 57 Ca 0.43 -0.07 -0.16 0.00 -0.62 0.00 0.00 57.03 56.61 2dbd h ASP 57 Cb 1.83 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.31 2dbd h ASP 57 CO -0.00 0.88 -0.42 0.11 -3.12 0.00 0.00 179.24 176.68 2dbd h LYS 58 N 0.03 0.88 -0.66 3.56 1.57 -0.07 -2.48 116.57 119.40 2dbd h LYS 58 Ca -0.02 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 2dbd h LYS 58 Cb 1.47 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.78 2dbd h LYS 58 CO 0.12 1.12 0.36 0.28 -0.57 0.00 0.00 179.45 180.76 2dbd h VAL 59 N 0.71 1.21 -0.60 0.50 2.07 -1.48 -1.90 116.25 116.76 2dbd h VAL 59 Ca 0.05 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 2dbd h VAL 59 Cb 1.01 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2dbd h VAL 59 CO 0.10 0.23 -0.02 -0.09 0.02 0.00 0.00 177.57 177.81 2dbd h ARG 60 N 0.90 1.06 -0.64 1.57 2.43 -1.51 -2.45 114.38 115.75 2dbd h ARG 60 Ca 0.23 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2dbd h ARG 60 Cb 0.04 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2dbd h ARG 60 CO -0.04 1.05 0.38 -0.22 -1.51 0.00 0.00 179.97 179.63 2dbd h LYS 61 N 0.97 0.88 -0.54 0.20 1.63 -1.11 -1.65 116.57 116.95 2dbd h LYS 61 Ca 0.17 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 2dbd h LYS 61 Cb 0.58 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 2dbd h LYS 61 CO 0.03 0.63 0.21 0.82 -3.45 0.00 0.00 179.45 177.70 2dbd h ILE 62 N 0.87 1.22 -0.47 2.00 2.04 -1.21 -2.24 117.51 119.72 2dbd h ILE 62 Ca 0.23 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2dbd h ILE 62 Cb -0.01 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2dbd h ILE 62 CO -0.04 0.26 0.31 -0.07 0.00 0.00 0.00 178.15 178.60 2dbd h LEU 63 N 0.73 0.54 -1.29 1.44 3.38 -1.13 -1.32 115.31 117.67 2dbd h LEU 63 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2dbd h LEU 63 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2dbd h LEU 63 CO -0.01 0.40 0.44 -0.78 0.09 0.00 0.00 178.44 178.58 2dbd h ASP 64 N 0.63 0.80 0.12 -0.43 1.82 -1.12 -0.47 116.42 117.77 2dbd h ASP 64 Ca 0.17 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2dbd h ASP 64 Cb -0.06 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.75 2dbd h ASP 64 CO -0.04 0.60 -0.06 -0.07 -1.61 0.00 0.00 179.24 178.06 2dbd h LEU 65 N 0.94 -0.13 -0.89 2.28 3.38 -0.83 -2.37 115.31 117.69 2dbd h LEU 65 Ca 0.25 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2dbd h LEU 65 Cb -0.08 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2dbd h LEU 65 CO -0.05 0.24 0.58 0.58 0.09 0.00 0.00 178.44 179.88 2dbd h VAL 66 N -0.52 1.19 -0.14 1.22 2.07 -1.04 -1.29 116.25 117.75 2dbd h VAL 66 Ca -0.02 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2dbd h VAL 66 Cb 0.42 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2dbd h VAL 66 CO 0.03 0.21 -0.04 1.56 0.02 0.00 0.00 177.57 179.35 2dbd h GLN 67 N 1.17 0.21 0.01 1.57 4.20 -1.07 -2.10 115.11 119.10 2dbd h GLN 67 Ca 0.34 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.81 2dbd h GLN 67 Cb -0.07 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2dbd h GLN 67 CO -0.09 0.27 -0.92 1.03 -0.67 0.00 0.00 178.83 178.44 2dbd h SER 68 N 0.21 0.29 0.09 1.46 0.87 -0.74 -3.36 113.55 112.36 2dbd h SER 68 Ca 0.05 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2dbd h SER 68 Cb 0.21 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2dbd h SER 68 CO 0.01 1.07 -0.04 0.11 -0.53 0.00 0.00 176.83 177.44 2dbd h LYS 69 N 0.11 -0.11 0.00 2.24 1.57 -0.63 -3.51 116.57 116.25 2dbd h LYS 69 Ca -0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2dbd h LYS 69 Cb 1.57 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.90 2dbd h LYS 69 CO 0.14 -0.07 0.00 0.41 -0.57 0.00 0.00 179.45 179.36 2dbd n GLY 70 N -0.11 -0.02 0.21 3.86 0.00 -0.91 -4.90 105.19 103.31 2dbd n GLY 70 Ca -0.01 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.47 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 4.17 0.00 -0.63 1.61 5.08 -1.93 -0.57 114.58 122.32 2dbd h GLU 71 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2dbd h GLU 71 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2dbd h GLU 71 CO 0.00 0.29 0.42 1.49 -1.00 0.00 0.00 179.01 180.21 2dbd h GLU 72 N 0.00 0.41 0.00 2.33 4.81 -1.95 -0.76 114.58 119.42 2dbd h GLU 72 Ca -0.00 -0.02 -0.32 0.00 -0.13 0.00 0.00 59.36 58.88 2dbd h GLU 72 Cb 0.67 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 2dbd h GLU 72 CO 0.04 0.27 -2.22 0.28 -0.73 0.00 0.00 179.01 176.65 2dbd n VAL 73 N -4.47 1.22 -0.23 0.32 0.31 -1.09 -4.32 118.33 110.08 2dbd n VAL 73 Ca 0.10 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2dbd n VAL 73 Cb 0.39 -0.70 0.23 0.00 -0.91 0.00 0.00 33.84 32.85 2dbd n VAL 73 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2dbd h SER 74 N 0.00 0.88 0.01 4.52 0.87 -0.84 0.51 113.55 119.50 2dbd h SER 74 Ca -0.48 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2dbd h SER 74 Cb 2.01 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2dbd h SER 74 CO 0.00 0.64 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.86 2dbd h GLU 75 N 1.04 -0.02 -0.54 2.24 4.81 -1.36 -0.52 114.58 120.24 2dbd h GLU 75 Ca 0.28 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 2dbd h GLU 75 Cb -0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2dbd h GLU 75 CO -0.06 0.17 0.13 0.35 -0.73 0.00 0.00 179.01 178.87 2dbd h PHE 76 N -0.20 0.91 -0.67 0.92 3.57 -1.68 0.60 116.94 120.39 2dbd h PHE 76 Ca -0.00 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2dbd h PHE 76 Cb 0.19 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 2dbd h PHE 76 CO -0.01 0.79 0.41 0.35 -2.23 0.00 0.00 178.31 177.61 2dbd h PHE 77 N 0.76 0.88 -0.00 0.41 3.57 -0.83 -2.23 116.94 119.51 2dbd h PHE 77 Ca 0.17 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 2dbd h PHE 77 Cb 0.34 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2dbd h PHE 77 CO 0.02 0.60 -0.68 -0.07 -2.23 0.00 0.00 178.31 175.95 2dbd h LEU 78 N 0.91 0.01 -0.76 0.59 3.38 -0.91 -3.17 115.31 115.37 2dbd h LEU 78 Ca 0.24 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2dbd h LEU 78 Cb -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2dbd h LEU 78 CO -0.05 0.69 0.30 0.22 0.09 0.00 0.00 178.44 179.69 2dbd h TYR 79 N 0.01 1.17 -0.20 1.13 5.03 -0.35 -2.44 116.97 121.32 2dbd h TYR 79 Ca -0.01 -0.09 -0.05 0.00 2.58 0.00 0.00 58.73 61.17 2dbd h TYR 79 Cb 1.20 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 2dbd h TYR 79 CO 0.00 0.89 -0.08 -0.07 -1.32 0.00 0.00 178.16 177.58 2dbd h LEU 80 N 1.11 0.29 -1.95 2.82 3.38 -1.39 -2.15 115.31 117.42 2dbd h LEU 80 Ca 0.25 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2dbd h LEU 80 Cb 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2dbd h LEU 80 CO -0.02 0.41 0.02 -0.07 0.09 0.00 0.00 178.44 178.87 2dbd h LEU 81 N 0.30 0.04 0.02 1.67 3.38 -1.46 0.58 115.31 119.85 2dbd h LEU 81 Ca 0.06 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 2dbd h LEU 81 Cb 0.34 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.09 2dbd h LEU 81 CO 0.02 0.04 -0.92 -0.61 0.09 0.00 0.00 178.44 177.06 2dbd h GLN 82 N 0.05 0.59 0.01 1.13 -0.00 -1.38 0.20 115.11 115.70 2dbd h GLN 82 Ca 0.01 -0.66 -0.19 0.00 -0.00 0.00 0.00 58.65 57.82 2dbd h GLN 82 Cb 0.01 0.19 -0.02 0.00 0.00 0.00 0.00 27.48 27.66 2dbd h GLN 82 CO -0.00 1.26 -0.87 1.96 0.00 0.00 0.00 178.83 181.18 2dbd h GLN 83 N 0.20 0.07 0.00 1.69 4.20 -1.29 -3.20 115.11 116.77 2dbd h GLN 83 Ca -0.12 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2dbd h GLN 83 Cb 1.60 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.41 2dbd h GLN 83 CO 0.18 0.89 -0.62 -0.07 -0.67 0.00 0.00 178.83 178.54 2dbd h LEU 84 N 0.03 0.00 -2.00 1.46 3.38 0.08 -3.34 115.31 114.93 2dbd h LEU 84 Ca -0.02 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.06 2dbd h LEU 84 Cb 1.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 2dbd h LEU 84 CO 0.12 0.03 0.49 0.00 0.09 0.00 0.00 178.44 179.18 2dbd h ALA 85 N 2.20 2.56 -0.11 1.53 0.00 -0.94 0.34 119.26 124.84 2dbd h ALA 85 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2dbd h ALA 85 Cb 0.90 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2dbd h ALA 85 CO 0.00 -0.82 -0.71 -0.44 0.00 0.00 0.00 179.25 177.28 2dbd h ASP 86 N 0.00 0.81 0.34 0.00 3.32 -1.75 -3.20 116.42 115.94 2dbd h ASP 86 Ca 0.30 -0.65 -0.09 0.00 0.02 0.00 0.00 57.03 56.61 2dbd h ASP 86 Cb 1.28 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 2dbd h ASP 86 CO -0.00 1.34 -0.40 0.00 -1.72 0.00 0.00 179.24 178.46 2dbd h ALA 87 N 0.49 1.27 -2.19 3.45 0.00 -1.20 -3.44 119.26 117.65 2dbd h ALA 87 Ca -0.06 -0.38 -0.47 0.00 0.00 0.00 0.00 54.91 54.01 2dbd h ALA 87 Cb 1.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2dbd h ALA 87 CO 0.15 0.53 0.32 0.71 0.00 0.00 0.00 179.25 180.95 2dbd s TYR 88 N -4.14 3.42 -0.32 0.00 2.02 -0.51 -4.99 117.35 112.83 2dbd s TYR 88 Ca -0.03 1.43 0.08 0.00 -0.37 0.00 0.00 57.07 58.18 2dbd s TYR 88 Cb 0.14 -2.74 0.54 0.00 -0.40 0.00 0.00 41.96 39.50 2dbd s TYR 88 CO 0.74 -0.25 1.56 0.28 -1.57 0.00 0.00 175.55 176.32 2dbd n VAL 89 N -1.25 2.69 0.00 0.71 0.31 -1.26 -4.61 118.33 114.92 2dbd n VAL 89 Ca 0.06 -2.57 0.00 0.00 -0.01 0.00 0.00 64.34 61.82 2dbd n VAL 89 Cb 0.54 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 2dbd n VAL 89 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2dbd n ASP 90 N -1.11 0.00 -4.64 4.52 8.00 -1.26 -5.07 116.55 116.99 2dbd n ASP 90 Ca 0.39 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 2dbd n ASP 90 Cb 1.17 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 42.36 2dbd n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dbd s LEU 91 N -4.62 4.00 0.02 0.64 1.43 -1.26 -4.38 118.68 114.51 2dbd s LEU 91 Ca 0.00 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2dbd s LEU 91 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2dbd s LEU 91 CO 0.00 -1.13 0.00 -1.14 0.23 0.00 0.00 176.35 174.31 2dbd n ARG 92 N 7.41 0.00 0.24 1.70 0.63 -1.26 -4.65 116.66 120.73 2dbd n ARG 92 Ca 0.18 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.18 2dbd n ARG 92 Cb 0.45 0.00 0.57 0.00 0.45 0.00 0.00 32.46 33.93 2dbd n ARG 92 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2dbd h PRO 93 N 0.00 0.00 0.18 -0.14 0.11 -1.98 -1.00 132.00 129.17 2dbd h PRO 93 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2dbd h PRO 93 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2dbd h PRO 93 CO 0.00 0.12 -0.09 2.35 -0.21 0.00 0.00 178.00 180.18 2dbd h TRP 94 N 0.00 -0.22 -0.62 0.65 7.01 -1.93 -2.04 115.95 118.81 2dbd h TRP 94 Ca -0.00 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.13 2dbd h TRP 94 Cb 0.22 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 2dbd h TRP 94 CO 0.00 -0.14 0.42 -0.07 -2.79 0.00 0.00 178.44 175.86 2dbd h LEU 95 N -0.62 0.23 -0.59 0.65 3.38 -1.94 0.14 115.31 116.56 2dbd h LEU 95 Ca -0.02 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2dbd h LEU 95 Cb 0.18 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2dbd h LEU 95 CO 0.04 0.13 -0.70 -0.07 0.09 0.00 0.00 178.44 177.93 2dbd h LEU 96 N 0.25 0.00 0.05 1.67 3.38 -1.27 -2.42 115.31 116.97 2dbd h LEU 96 Ca 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2dbd h LEU 96 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2dbd h LEU 96 CO -0.06 0.70 -0.02 -0.33 0.09 0.00 0.00 178.44 178.81 2dbd h GLU 97 N 0.00 -0.06 -0.06 1.13 5.08 -0.04 -3.29 114.58 117.34 2dbd h GLU 97 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2dbd h GLU 97 Cb 1.24 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2dbd h GLU 97 CO 0.09 0.54 0.05 -0.84 -1.00 0.00 0.00 179.01 177.85 2dbd h ILE 98 N -0.93 0.96 -3.64 3.13 3.07 -1.18 -3.47 117.51 115.45 2dbd h ILE 98 Ca -0.01 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.28 2dbd h ILE 98 Cb 0.63 0.97 0.07 0.00 -0.27 0.00 0.00 36.82 38.22 2dbd h ILE 98 CO 0.01 0.00 -0.32 0.61 -1.05 0.00 0.00 178.15 177.40 2dbd n GLY 99 N -1.55 0.10 3.69 0.16 0.00 -0.92 -4.96 105.19 101.72 2dbd n GLY 99 Ca -0.02 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2dbd n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dbd s PHE 100 N -3.15 2.49 -0.25 1.61 5.36 -1.20 -4.18 117.98 118.67 2dbd s PHE 100 Ca 0.06 0.41 -0.06 0.00 -0.96 0.00 0.00 56.93 56.38 2dbd s PHE 100 Cb -0.01 -3.91 0.02 0.00 -0.34 0.00 0.00 43.02 38.79 2dbd s PHE 100 CO 0.30 -3.60 0.13 0.45 -1.46 0.00 0.00 175.22 171.04 2dbd n SER 101 N 5.59 -4.03 -3.63 6.13 2.88 -1.26 -5.07 113.62 114.22 2dbd n SER 101 Ca 0.15 1.38 -0.04 0.00 -1.33 0.00 0.00 58.87 59.04 2dbd n SER 101 Cb 0.41 -5.27 -0.05 0.00 -0.75 0.00 0.00 64.21 58.55 2dbd n SER 101 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dbd s SER 102 N -1.13 -0.12 0.45 -3.46 1.04 -1.26 -5.19 113.70 104.03 2dbd s SER 102 Ca -0.15 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.45 2dbd s SER 102 Cb 0.01 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2dbd s SER 102 CO 0.79 -0.09 0.12 0.61 0.98 0.00 0.00 173.24 175.65 2dbd n GLY 103 N 0.90 3.36 0.00 7.32 0.00 -1.26 -5.15 105.19 110.36 2dbd n GLY 103 Ca -0.05 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.65 2dbd n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbd n PRO 104 N -1.26 -0.75 -2.62 1.61 -0.04 -1.26 -4.84 135.00 125.83 2dbd n PRO 104 Ca -0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 2dbd n PRO 104 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 2dbd n PRO 104 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dbd n SER 105 N -2.63 -2.96 -4.36 3.54 7.64 -1.26 -5.04 113.62 108.55 2dbd n SER 105 Ca 0.00 1.37 -0.31 0.00 1.01 0.00 0.00 58.87 60.94 2dbd n SER 105 Cb 0.00 -5.27 -0.15 0.00 -1.01 0.00 0.00 64.21 57.79 2dbd n SER 105 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dbd s SER 106 N -1.00 3.31 0.00 6.43 1.04 -1.26 -5.26 113.70 116.95 2dbd s SER 106 Ca -0.19 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2dbd s SER 106 Cb 0.01 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2dbd s SER 106 CO 0.79 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.92