#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbd h SER 2 N 0.00 -0.08 -2.68 1.61 0.02 -2.16 -3.50 113.55 106.76 2dbd h SER 2 Ca 0.00 -0.51 0.28 0.00 -0.84 0.00 0.00 61.79 60.72 2dbd h SER 2 Cb 0.00 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 2dbd h SER 2 CO 0.00 0.60 -0.38 -1.20 -1.14 0.00 0.00 176.83 174.71 2dbd n SER 3 N -4.80 -7.78 0.00 3.07 7.64 -1.26 -5.03 113.62 105.47 2dbd n SER 3 Ca -0.07 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.93 2dbd n SER 3 Cb 0.29 -3.15 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 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 -3.06 0.67 3.32 0.23 0.00 -1.26 -5.19 105.19 99.89 2dbd n GLY 4 Ca 0.01 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2dbd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbd s SER 5 N 0.00 0.42 -0.42 1.61 1.04 -1.26 -5.14 113.70 109.96 2dbd s SER 5 Ca 0.00 -1.37 0.06 0.00 0.48 0.00 0.00 55.95 55.12 2dbd s SER 5 Cb 0.00 0.48 0.17 0.00 0.10 0.00 0.00 66.02 66.77 2dbd s SER 5 CO 0.00 -0.98 0.56 -0.44 0.98 0.00 0.00 173.24 173.36 2dbd s SER 6 N -3.18 -0.64 0.24 7.02 0.01 -1.26 -5.13 113.70 110.77 2dbd s SER 6 Ca 0.35 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2dbd s SER 6 Cb 0.04 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.73 2dbd s SER 6 CO 0.15 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2dbd n GLY 7 N 4.08 -0.38 3.24 3.44 0.00 -1.26 -4.60 105.19 109.70 2dbd n GLY 7 Ca 0.13 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 3.39 0.61 1.61 4.02 -1.26 -4.95 115.29 118.71 2dbd s HIS 8 Ca 0.00 -1.73 0.28 0.00 1.02 0.00 0.00 55.06 54.63 2dbd s HIS 8 Cb 0.00 -3.24 1.34 0.00 -1.02 0.00 0.00 32.58 29.65 2dbd s HIS 8 CO 0.00 -0.93 1.75 -1.35 1.02 0.00 0.00 174.74 175.23 2dbd h PRO 9 N 8.42 0.00 0.00 8.40 0.11 -1.98 0.90 132.00 147.85 2dbd h PRO 9 Ca -0.22 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.73 2dbd h PRO 9 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2dbd h PRO 9 CO 0.81 0.00 -0.88 0.45 -0.21 0.00 0.00 178.00 178.17 2dbd h HIS 10 N 0.00 0.00 -0.11 0.65 3.86 -1.97 -3.30 115.15 114.28 2dbd h HIS 10 Ca 0.23 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.35 2dbd h HIS 10 Cb 1.48 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.96 2dbd h HIS 10 CO 0.00 1.34 -0.30 0.82 0.86 0.00 0.00 177.93 180.65 2dbd h ILE 11 N -1.00 1.39 -0.52 2.45 2.04 -1.64 -3.15 117.51 117.09 2dbd h ILE 11 Ca -0.24 -1.62 0.14 0.00 1.00 0.00 0.00 64.86 64.14 2dbd h ILE 11 Cb 1.21 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 2dbd h ILE 11 CO -0.15 0.47 0.37 -0.61 0.00 0.00 0.00 178.15 178.23 2dbd h GLN 12 N -0.05 0.06 -0.74 2.37 -0.00 0.57 -0.23 115.11 117.10 2dbd h GLN 12 Ca -0.01 -0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.58 2dbd h GLN 12 Cb 0.92 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.35 2dbd h GLN 12 CO 0.06 0.04 0.23 -0.07 0.00 0.00 0.00 178.83 179.09 2dbd h LEU 13 N 0.06 1.07 -0.25 -2.39 3.38 -1.62 -2.32 115.31 113.23 2dbd h LEU 13 Ca 0.25 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2dbd h LEU 13 Cb 0.90 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dbd h LEU 13 CO -0.02 0.99 -0.09 -0.07 0.09 0.00 0.00 178.44 179.34 2dbd h LEU 14 N 1.09 0.52 -1.90 1.67 3.38 -1.11 0.31 115.31 119.28 2dbd h LEU 14 Ca 0.24 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2dbd h LEU 14 Cb 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2dbd h LEU 14 CO -0.01 0.79 0.14 0.11 0.09 0.00 0.00 178.44 179.56 2dbd h LYS 15 N 0.25 0.13 0.14 1.13 1.57 -1.32 0.69 116.57 119.17 2dbd h LYS 15 Ca 0.06 -0.01 -0.33 0.00 -1.87 0.00 0.00 60.65 58.50 2dbd h LYS 15 Cb 0.58 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2dbd h LYS 15 CO 0.03 0.09 -1.73 0.77 -0.57 0.00 0.00 179.45 178.04 2dbd h SER 16 N 0.14 0.47 -0.92 0.86 0.02 -1.23 -3.36 113.55 109.53 2dbd h SER 16 Ca 0.09 -0.91 -0.58 0.00 -0.84 0.00 0.00 61.79 59.55 2dbd h SER 16 Cb 0.18 -0.15 -0.29 0.00 0.14 0.00 0.00 62.40 62.27 2dbd h SER 16 CO -0.01 1.76 0.59 0.59 -1.14 0.00 0.00 176.83 178.61 2dbd n ASN 17 N -3.68 5.80 0.13 3.07 3.02 0.11 -4.63 115.26 119.09 2dbd n ASN 17 Ca -0.27 -3.73 -0.11 0.00 -0.03 0.00 0.00 54.58 50.44 2dbd n ASN 17 Cb 1.01 -0.85 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 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 1.62 -0.39 -0.06 3.52 2.43 0.23 -1.67 114.38 120.06 2dbd h ARG 18 Ca 0.57 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.63 2dbd h ARG 18 Cb 1.59 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 2dbd h ARG 18 CO 1.27 -0.07 -0.54 0.93 -1.51 0.00 0.00 179.97 180.05 2dbd h GLU 19 N -0.96 0.18 -0.34 0.20 5.08 -1.84 -3.09 114.58 113.82 2dbd h GLU 19 Ca -0.04 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2dbd h GLU 19 Cb 0.50 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2dbd h GLU 19 CO 0.07 0.67 0.01 1.25 -1.00 0.00 0.00 179.01 180.01 2dbd h LEU 20 N 0.14 0.57 -1.87 1.33 5.85 -1.85 -2.75 115.31 116.73 2dbd h LEU 20 Ca 0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2dbd h LEU 20 Cb 1.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2dbd h LEU 20 CO 0.08 0.74 0.08 -0.07 -0.34 0.00 0.00 178.44 178.93 2dbd h LEU 21 N 0.40 0.15 -0.98 2.25 3.38 -1.26 -0.98 115.31 118.27 2dbd h LEU 21 Ca 0.10 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2dbd h LEU 21 Cb 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2dbd h LEU 21 CO 0.02 0.11 -0.35 0.58 0.09 0.00 0.00 178.44 178.88 2dbd h VAL 22 N 0.18 1.29 0.00 1.22 2.07 -1.41 0.35 116.25 119.94 2dbd h VAL 22 Ca 0.05 -1.40 -0.23 0.00 0.82 0.00 0.00 66.70 65.94 2dbd h VAL 22 Cb -0.02 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2dbd h VAL 22 CO -0.01 0.42 -1.13 0.74 0.02 0.00 0.00 177.57 177.61 2dbd h THR 23 N 0.26 1.56 0.00 2.57 2.02 -1.09 -3.37 112.91 114.85 2dbd h THR 23 Ca 0.03 -3.29 -0.04 0.00 0.77 0.00 0.00 66.41 63.88 2dbd h THR 23 Cb 0.75 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 2dbd h THR 23 CO 0.06 0.89 -0.27 0.45 0.37 0.00 0.00 175.52 177.02 2dbd h HIS 24 N 0.00 0.00 -3.58 3.16 -0.00 -1.06 -3.46 115.15 110.22 2dbd h HIS 24 Ca -0.06 0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 59.79 2dbd h HIS 24 Cb 1.82 0.00 0.04 0.00 -0.00 0.00 0.00 27.41 29.27 2dbd h HIS 24 CO 0.00 0.81 0.62 0.42 -0.00 0.00 0.00 177.93 179.78 2dbd s ILE 25 N -2.10 3.12 -0.07 2.45 1.01 0.12 -4.84 121.20 120.89 2dbd s ILE 25 Ca -0.16 1.00 0.02 0.00 0.00 0.00 0.00 60.65 61.50 2dbd s ILE 25 Cb -0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 2dbd s ILE 25 CO 0.49 0.19 -0.05 -1.14 0.00 0.00 0.00 174.94 174.43 2dbd n ARG 26 N 1.94 0.90 -3.70 2.79 0.63 -1.26 -4.76 116.66 113.19 2dbd n ARG 26 Ca 0.03 0.03 -0.38 0.00 -0.92 0.00 0.00 57.85 56.62 2dbd n ARG 26 Cb 0.43 -1.15 -0.12 0.00 0.45 0.00 0.00 32.46 32.07 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 -4.49 5.39 -0.14 6.15 -0.87 -1.26 -4.95 114.94 114.78 2dbd s ASN 27 Ca -0.08 -0.42 0.11 0.00 -1.57 0.00 0.00 52.86 50.89 2dbd s ASN 27 Cb 0.02 -1.97 -0.23 0.00 -0.02 0.00 0.00 41.25 39.05 2dbd s ASN 27 CO 0.19 -0.14 0.28 0.35 -2.57 0.00 0.00 177.10 175.22 2dbd n THR 28 N 4.95 1.54 0.25 1.60 -2.24 -1.26 -4.19 114.28 114.93 2dbd n THR 28 Ca -0.15 -0.77 0.07 0.00 -2.27 0.00 0.00 64.05 60.94 2dbd n THR 28 Cb 0.50 -0.97 0.61 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.01 0.00 -0.97 -0.78 5.75 -1.99 -2.09 115.11 115.03 2dbd h GLN 29 Ca -0.44 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.10 2dbd h GLN 29 Cb 2.09 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 30.58 2dbd h GLN 29 CO 0.04 0.06 0.64 0.00 -2.65 0.00 0.00 178.83 176.91 2dbd h LEU 31 N 1.22 0.62 -1.28 0.00 3.38 -1.61 -2.95 115.31 114.70 2dbd h LEU 31 Ca 0.39 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2dbd h LEU 31 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2dbd h LEU 31 CO -0.13 1.24 0.07 0.58 0.09 0.00 0.00 178.44 180.29 2dbd h VAL 32 N 0.06 1.18 0.02 1.22 2.07 -1.15 0.03 116.25 119.69 2dbd h VAL 32 Ca -0.06 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2dbd h VAL 32 Cb 1.29 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2dbd h VAL 32 CO 0.12 0.24 -0.01 -0.78 0.02 0.00 0.00 177.57 177.16 2dbd h ASP 33 N 0.55 -0.02 -0.36 0.57 3.58 -0.65 -0.34 116.42 119.75 2dbd h ASP 33 Ca 0.13 -0.28 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 2dbd h ASP 33 Cb 0.25 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2dbd h ASP 33 CO 0.00 0.26 0.04 0.78 -2.88 0.00 0.00 179.24 177.45 2dbd h ASN 34 N -0.31 0.58 -0.64 2.28 2.35 -1.34 -2.02 115.58 116.48 2dbd h ASN 34 Ca -0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2dbd h ASN 34 Cb 0.30 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2dbd h ASN 34 CO 0.00 0.71 0.41 -0.07 -1.65 0.00 0.00 177.43 176.83 2dbd h LEU 35 N 0.43 0.74 -0.42 1.61 3.38 -0.99 -1.07 115.31 119.00 2dbd h LEU 35 Ca 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2dbd h LEU 35 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2dbd h LEU 35 CO 0.01 0.55 0.22 -0.07 0.09 0.00 0.00 178.44 179.24 2dbd h LEU 36 N 0.87 0.53 -1.29 1.67 3.38 -0.94 0.11 115.31 119.63 2dbd h LEU 36 Ca 0.23 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2dbd h LEU 36 Cb -0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2dbd h LEU 36 CO -0.05 0.48 0.09 0.50 0.09 0.00 0.00 178.44 179.55 2dbd h LYS 37 N 0.54 0.58 -0.00 1.13 3.11 -1.05 -1.11 116.57 119.76 2dbd h LYS 37 Ca 0.14 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2dbd h LYS 37 Cb 0.08 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 2dbd h LYS 37 CO -0.02 0.53 0.00 0.09 -2.81 0.00 0.00 179.45 177.24 2dbd n ASN 38 N -4.33 0.41 -2.90 4.20 3.02 -0.43 -4.91 115.26 110.31 2dbd n ASN 38 Ca 0.02 -1.14 -0.15 0.00 -0.03 0.00 0.00 54.58 53.28 2dbd n ASN 38 Cb 0.19 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.67 -3.24 -0.09 6.41 -0.08 -0.42 -4.95 116.55 113.51 2dbd n ASP 39 Ca 0.22 -0.46 -0.15 0.00 -1.51 0.00 0.00 54.79 52.90 2dbd n ASP 39 Cb 0.18 -4.08 -0.08 0.00 2.34 0.00 0.00 41.12 39.48 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 -3.80 0.00 -3.48 -0.67 4.01 0.30 -4.98 117.16 108.54 2dbd n TYR 40 Ca -0.14 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.22 2dbd n TYR 40 Cb 0.60 -0.67 -0.06 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.35 3.60 0.84 -0.72 0.40 -1.23 -5.01 117.98 113.52 2dbd s PHE 41 Ca -0.24 0.85 -0.14 0.00 -0.60 0.00 0.00 56.93 56.80 2dbd s PHE 41 Cb 0.07 -2.36 0.21 0.00 0.51 0.00 0.00 43.02 41.46 2dbd s PHE 41 CO 0.38 0.43 0.72 0.43 0.70 0.00 0.00 175.22 177.87 2dbd n SER 42 N 2.73 -1.91 0.01 1.36 7.64 -1.26 -4.73 113.62 117.46 2dbd n SER 42 Ca -0.12 -0.91 -0.09 0.00 1.01 0.00 0.00 58.87 58.76 2dbd n SER 42 Cb 0.52 -0.67 -0.13 0.00 -1.01 0.00 0.00 64.21 62.92 2dbd n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dbd h ALA 43 N -2.56 0.59 0.06 -0.43 0.00 -2.00 -3.25 119.26 111.66 2dbd h ALA 43 Ca -0.27 -1.25 -0.24 0.00 0.00 0.00 0.00 54.91 53.14 2dbd h ALA 43 Cb 0.84 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2dbd h ALA 43 CO 0.18 1.43 -1.15 0.93 0.00 0.00 0.00 179.25 180.64 2dbd h GLU 44 N 0.01 0.12 -0.30 0.00 5.08 -2.01 -3.29 114.58 114.19 2dbd h GLU 44 Ca -0.19 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 2dbd h GLU 44 Cb 1.93 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 2dbd h GLU 44 CO 0.10 1.08 -0.23 -0.44 -1.00 0.00 0.00 179.01 178.52 2dbd h ASP 45 N 0.03 0.58 0.18 1.42 5.19 -1.95 -2.65 116.42 119.22 2dbd h ASP 45 Ca -0.08 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.10 2dbd h ASP 45 Cb 1.87 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 41.22 2dbd h ASP 45 CO 0.16 0.80 -0.16 0.00 -3.12 0.00 0.00 179.24 176.93 2dbd h ALA 46 N 1.24 1.68 0.00 3.45 0.00 -1.63 -2.02 119.26 121.99 2dbd h ALA 46 Ca 0.08 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2dbd h ALA 46 Cb 0.67 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2dbd h ALA 46 CO 0.05 0.19 -0.78 0.93 0.00 0.00 0.00 179.25 179.65 2dbd h GLU 47 N 0.00 0.00 -0.48 0.00 5.08 -1.57 -3.17 114.58 114.44 2dbd h GLU 47 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2dbd h GLU 47 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2dbd h GLU 47 CO 0.02 0.78 -0.24 0.82 -1.00 0.00 0.00 179.01 179.39 2dbd h ILE 48 N 0.00 1.27 0.11 3.13 2.04 -1.22 -1.87 117.51 120.97 2dbd h ILE 48 Ca -0.01 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2dbd h ILE 48 Cb 1.43 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2dbd h ILE 48 CO 0.10 0.48 -0.05 0.58 0.00 0.00 0.00 178.15 179.26 2dbd h VAL 49 N 0.85 0.96 0.00 1.67 2.07 -1.54 -2.62 116.25 117.65 2dbd h VAL 49 Ca 0.11 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2dbd h VAL 49 Cb 0.82 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2dbd h VAL 49 CO 0.07 0.07 -0.14 0.00 0.02 0.00 0.00 177.57 177.59 2dbd h ALA 51 N 1.86 2.20 -2.84 0.00 0.00 -0.93 -3.42 119.26 116.13 2dbd h ALA 51 Ca -0.00 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.34 2dbd h ALA 51 Cb 0.32 0.03 0.12 0.00 0.00 0.00 0.00 17.79 18.26 2dbd h ALA 51 CO 0.02 -0.51 0.65 0.00 0.00 0.00 0.00 179.25 179.41 2dbd h PRO 53 N 2.51 0.42 -5.63 0.00 0.13 -1.90 -3.47 132.00 124.05 2dbd h PRO 53 Ca -0.49 -0.47 -0.63 0.00 -0.87 0.00 0.00 66.00 63.54 2dbd h PRO 53 Cb 1.27 0.14 -0.12 0.00 0.13 0.00 0.00 31.00 32.42 2dbd h PRO 53 CO 0.62 1.14 -0.56 0.95 -0.23 0.00 0.00 178.00 179.92 2dbd s THR 54 N -3.20 1.89 0.00 1.56 -4.23 -1.26 -5.07 115.64 105.33 2dbd s THR 54 Ca -0.06 -1.93 -0.25 0.00 -1.18 0.00 0.00 61.69 58.28 2dbd s THR 54 Cb 0.08 -2.82 -0.18 0.00 1.34 0.00 0.00 72.50 70.93 2dbd s THR 54 CO 0.87 0.00 1.27 -0.61 -0.54 0.00 0.00 174.62 175.61 2dbd h GLN 55 N 1.59 -0.22 -0.98 3.99 5.75 -1.95 -3.11 115.11 120.19 2dbd h GLN 55 Ca -0.44 0.01 0.25 0.00 -0.15 0.00 0.00 58.65 58.33 2dbd h GLN 55 Cb 1.26 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.79 2dbd h GLN 55 CO 0.77 0.13 0.66 -1.35 -2.65 0.00 0.00 178.83 176.39 2dbd h PRO 56 N -0.61 0.25 -0.06 -2.39 0.11 -1.93 0.37 132.00 127.75 2dbd h PRO 56 Ca -0.02 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 2dbd h PRO 56 Cb 0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 2dbd h PRO 56 CO 0.04 0.16 -0.41 -0.44 -0.21 0.00 0.00 178.00 177.14 2dbd h ASP 57 N 0.25 0.12 -0.07 -2.05 3.32 -1.95 -2.83 116.42 113.22 2dbd h ASP 57 Ca 0.51 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.34 2dbd h ASP 57 Cb 1.54 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 2dbd h ASP 57 CO -0.15 0.53 -0.54 0.11 -1.72 0.00 0.00 179.24 177.46 2dbd h LYS 58 N 0.10 0.65 -0.15 3.56 1.57 -0.21 -2.30 116.57 119.79 2dbd h LYS 58 Ca 0.01 -0.41 -0.08 0.00 -1.87 0.00 0.00 60.65 58.30 2dbd h LYS 58 Cb 0.77 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2dbd h LYS 58 CO 0.06 1.02 -0.25 0.28 -0.57 0.00 0.00 179.45 179.99 2dbd h VAL 59 N 0.50 1.24 0.00 0.50 2.07 -1.28 -1.34 116.25 117.95 2dbd h VAL 59 Ca 0.01 -1.13 -0.19 0.00 0.82 0.00 0.00 66.70 66.21 2dbd h VAL 59 Cb 1.10 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2dbd h VAL 59 CO 0.11 0.35 -0.88 -0.09 0.02 0.00 0.00 177.57 177.07 2dbd h ARG 60 N 0.24 0.04 -0.08 1.57 2.43 -1.40 -2.87 114.38 114.32 2dbd h ARG 60 Ca 0.04 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2dbd h ARG 60 Cb 0.58 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2dbd h ARG 60 CO 0.04 0.89 -0.54 -0.22 -1.51 0.00 0.00 179.97 178.63 2dbd h LYS 61 N 0.02 0.50 -0.38 0.20 1.63 -1.06 -2.90 116.57 114.57 2dbd h LYS 61 Ca -0.02 -0.43 -0.02 0.00 -0.85 0.00 0.00 60.65 59.33 2dbd h LYS 61 Cb 1.54 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 33.26 2dbd h LYS 61 CO 0.12 1.07 0.18 0.82 -3.45 0.00 0.00 179.45 178.18 2dbd h ILE 62 N 0.07 1.17 -0.98 2.00 2.04 -1.32 -1.64 117.51 118.86 2dbd h ILE 62 Ca -0.05 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2dbd h ILE 62 Cb 1.20 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 2dbd h ILE 62 CO 0.11 0.19 0.64 -0.07 0.00 0.00 0.00 178.15 179.01 2dbd h LEU 63 N 0.47 1.06 -0.88 1.44 3.38 -1.58 0.04 115.31 119.25 2dbd h LEU 63 Ca 0.13 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2dbd h LEU 63 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dbd h LEU 63 CO -0.02 0.72 -0.36 -0.78 0.09 0.00 0.00 178.44 178.09 2dbd h ASP 64 N 1.22 0.41 -0.07 -0.43 1.82 -1.27 -2.26 116.42 115.84 2dbd h ASP 64 Ca 0.39 -0.16 -0.04 0.00 -0.39 0.00 0.00 57.03 56.83 2dbd h ASP 64 Cb 0.03 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 39.92 2dbd h ASP 64 CO -0.13 0.74 -0.12 -0.07 -1.61 0.00 0.00 179.24 178.05 2dbd h LEU 65 N 0.34 0.23 -0.94 2.28 3.38 -0.32 -2.60 115.31 117.69 2dbd h LEU 65 Ca 0.04 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.48 2dbd h LEU 65 Cb 0.79 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2dbd h LEU 65 CO 0.06 0.74 0.62 0.58 0.09 0.00 0.00 178.44 180.53 2dbd h VAL 66 N -0.26 1.20 -0.09 1.22 2.07 -1.00 -1.43 116.25 117.96 2dbd h VAL 66 Ca 0.00 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 2dbd h VAL 66 Cb 0.69 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2dbd h VAL 66 CO 0.03 0.22 -0.26 1.56 0.02 0.00 0.00 177.57 179.14 2dbd h GLN 67 N 1.23 0.15 -0.05 1.57 4.20 -1.42 -2.58 115.11 118.21 2dbd h GLN 67 Ca 0.36 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.85 2dbd h GLN 67 Cb -0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2dbd h GLN 67 CO -0.10 0.40 -0.73 0.77 -0.67 0.00 0.00 178.83 178.51 2dbd h SER 68 N 0.14 0.34 0.66 1.46 0.02 -0.89 -3.32 113.55 111.96 2dbd h SER 68 Ca 0.02 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 2dbd h SER 68 Cb 0.54 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.98 2dbd h SER 68 CO 0.04 0.96 -0.32 0.11 -1.14 0.00 0.00 176.83 176.47 2dbd h LYS 69 N 0.19 -0.86 0.00 3.45 1.57 -0.92 -3.50 116.57 116.50 2dbd h LYS 69 Ca -0.03 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dbd h LYS 69 Cb 1.29 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.80 2dbd h LYS 69 CO 0.12 -0.57 0.00 0.41 -0.57 0.00 0.00 179.45 178.83 2dbd n GLY 70 N -0.61 -0.10 0.09 3.86 0.00 -1.02 -4.94 105.19 102.47 2dbd n GLY 70 Ca -0.11 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 2dbd n GLY 70 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dbd h GLU 71 N 0.00 0.00 -0.37 1.61 4.81 -1.91 -3.09 114.58 115.62 2dbd h GLU 71 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2dbd h GLU 71 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2dbd h GLU 71 CO 0.00 0.48 0.14 1.49 -0.73 0.00 0.00 179.01 180.39 2dbd h GLU 72 N 0.00 0.30 0.01 1.92 4.81 -1.95 -0.55 114.58 119.11 2dbd h GLU 72 Ca -0.16 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.84 2dbd h GLU 72 Cb 1.72 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 31.01 2dbd h GLU 72 CO 0.07 0.20 -1.01 0.28 -0.73 0.00 0.00 179.01 177.82 2dbd h VAL 73 N 0.30 1.69 -0.22 0.32 2.07 -1.90 -3.24 116.25 115.27 2dbd h VAL 73 Ca 0.17 -3.35 -0.00 0.00 0.82 0.00 0.00 66.70 64.33 2dbd h VAL 73 Cb 0.13 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2dbd h VAL 73 CO -0.16 0.96 0.13 -1.28 0.02 0.00 0.00 177.57 177.24 2dbd h SER 74 N 0.01 0.27 -0.98 0.57 0.87 -1.36 0.54 113.55 113.47 2dbd h SER 74 Ca -0.02 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2dbd h SER 74 Cb 1.76 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.61 2dbd h SER 74 CO 0.13 0.26 0.61 -0.08 -0.53 0.00 0.00 176.83 177.23 2dbd h GLU 75 N 0.26 1.31 -0.25 2.24 4.81 -1.21 -1.19 114.58 120.55 2dbd h GLU 75 Ca 0.08 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2dbd h GLU 75 Cb 0.04 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2dbd h GLU 75 CO -0.01 0.89 -0.10 0.35 -0.73 0.00 0.00 179.01 179.41 2dbd h PHE 76 N 1.34 0.58 -0.97 0.92 3.04 -1.51 -0.17 116.94 120.17 2dbd h PHE 76 Ca 0.35 -0.14 0.02 0.00 3.98 0.00 0.00 57.97 62.18 2dbd h PHE 76 Cb -0.10 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.22 2dbd h PHE 76 CO 0.00 0.75 0.64 0.35 -2.02 0.00 0.00 178.31 178.04 2dbd h PHE 77 N 0.24 1.21 -0.00 0.41 3.57 -0.59 -2.00 116.94 119.77 2dbd h PHE 77 Ca 0.06 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.42 2dbd h PHE 77 Cb 0.59 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2dbd h PHE 77 CO 0.06 0.75 -0.76 -0.07 -2.23 0.00 0.00 178.31 176.05 2dbd h LEU 78 N 1.29 0.05 -0.76 0.59 3.38 -1.15 -3.22 115.31 115.49 2dbd h LEU 78 Ca 0.36 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 2dbd h LEU 78 Cb -0.12 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2dbd h LEU 78 CO -0.09 0.79 0.40 0.22 0.09 0.00 0.00 178.44 179.86 2dbd h TYR 79 N 0.02 1.06 -0.50 1.13 5.03 -0.30 -2.36 116.97 121.05 2dbd h TYR 79 Ca -0.01 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.26 2dbd h TYR 79 Cb 1.35 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 39.26 2dbd h TYR 79 CO 0.01 0.76 0.30 -0.07 -1.32 0.00 0.00 178.16 177.84 2dbd h LEU 80 N 1.06 0.60 -1.91 2.82 3.38 -1.45 -1.39 115.31 118.42 2dbd h LEU 80 Ca 0.27 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2dbd h LEU 80 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2dbd h LEU 80 CO -0.04 0.46 0.09 -0.07 0.09 0.00 0.00 178.44 178.97 2dbd h LEU 81 N 0.69 0.11 0.21 1.67 3.38 -1.49 0.64 115.31 120.52 2dbd h LEU 81 Ca 0.18 -0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.81 2dbd h LEU 81 Cb -0.03 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.72 2dbd h LEU 81 CO -0.03 0.08 -1.59 1.56 0.09 0.00 0.00 178.44 178.54 2dbd h GLN 82 N 0.12 0.45 -0.02 1.13 4.20 -1.26 -2.07 115.11 117.66 2dbd h GLN 82 Ca 0.05 -0.76 -0.16 0.00 0.06 0.00 0.00 58.65 57.84 2dbd h GLN 82 Cb 0.06 0.28 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2dbd h GLN 82 CO -0.01 1.36 -0.72 0.37 -0.67 0.00 0.00 178.83 179.16 2dbd h GLN 83 N 0.12 0.11 0.00 1.46 -0.00 -0.84 -3.07 115.11 112.89 2dbd h GLN 83 Ca -0.29 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 2dbd h GLN 83 Cb 2.12 0.02 0.00 0.00 0.00 0.00 0.00 27.48 29.62 2dbd h GLN 83 CO 0.22 0.77 -0.52 1.28 0.00 0.00 0.00 178.83 180.58 2dbd n LEU 84 N -3.74 0.52 0.12 -2.39 4.77 0.22 -4.07 117.00 112.43 2dbd n LEU 84 Ca -0.02 -0.01 0.20 0.00 -0.03 0.00 0.00 56.01 56.14 2dbd n LEU 84 Cb 0.69 -0.24 0.76 0.00 -2.33 0.00 0.00 43.42 42.31 2dbd n LEU 84 CO 0.44 0.12 1.17 0.00 -1.33 0.00 0.00 177.39 177.80 2dbd h ALA 85 N 2.99 2.04 -0.31 -1.18 0.00 -1.27 0.50 119.26 122.03 2dbd h ALA 85 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2dbd h ALA 85 Cb 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2dbd h ALA 85 CO 0.00 -0.57 0.22 0.22 0.00 0.00 0.00 179.25 179.12 2dbd h ASP 86 N 0.00 0.06 -0.67 0.00 3.58 -1.77 -0.55 116.42 117.07 2dbd h ASP 86 Ca 0.17 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.24 2dbd h ASP 86 Cb 0.95 -0.01 -0.22 0.00 1.72 0.00 0.00 39.33 41.76 2dbd h ASP 86 CO -0.00 0.04 0.21 0.00 -2.88 0.00 0.00 179.24 176.61 2dbd n ALA 87 N -2.58 5.06 -2.26 -0.78 0.00 0.17 -4.98 120.51 115.14 2dbd n ALA 87 Ca 0.04 -3.17 -0.14 0.00 0.00 0.00 0.00 53.44 50.17 2dbd n ALA 87 Cb 0.34 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.37 1.28 -0.16 0.00 2.02 -0.21 -5.07 117.35 111.83 2dbd s TYR 88 Ca 0.52 -0.88 0.23 0.00 -0.37 0.00 0.00 57.07 56.57 2dbd s TYR 88 Cb 0.44 -0.70 0.46 0.00 -0.40 0.00 0.00 41.96 41.76 2dbd s TYR 88 CO 0.03 -0.05 1.15 1.33 -1.57 0.00 0.00 175.55 176.45 2dbd n VAL 89 N -0.24 0.71 0.00 0.71 0.24 -1.26 -4.85 118.33 113.64 2dbd n VAL 89 Ca -0.08 -2.04 0.00 0.00 -2.04 0.00 0.00 64.34 60.18 2dbd n VAL 89 Cb 0.62 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.15 2dbd n VAL 89 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2dbd n ASP 90 N -0.23 0.00 -1.82 -1.34 -0.08 -1.26 -4.87 116.55 106.95 2dbd n ASP 90 Ca 0.04 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.20 2dbd n ASP 90 Cb 0.93 0.04 0.18 0.00 2.34 0.00 0.00 41.12 44.60 2dbd n ASP 90 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dbd n LEU 91 N -1.81 5.46 0.09 -2.67 4.77 -1.26 -4.49 117.00 117.09 2dbd n LEU 91 Ca 0.00 -2.87 -0.05 0.00 -0.03 0.00 0.00 56.01 53.06 2dbd n LEU 91 Cb 0.00 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 2dbd n LEU 91 CO 0.00 0.81 0.14 0.03 -1.33 0.00 0.00 177.39 177.04 2dbd h ARG 92 N 1.31 -0.30 0.00 3.23 3.08 -1.89 -3.32 114.38 116.49 2dbd h ARG 92 Ca 0.35 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.36 2dbd h ARG 92 Cb 2.19 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 32.30 2dbd h ARG 92 CO 0.71 -0.20 -0.29 -1.00 -1.07 0.00 0.00 179.97 178.11 2dbd h PRO 93 N -0.97 0.00 -0.22 0.04 0.13 -1.99 -3.06 132.00 125.93 2dbd h PRO 93 Ca -0.03 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2dbd h PRO 93 Cb 0.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 2dbd h PRO 93 CO 0.05 0.29 0.15 2.35 -0.23 0.00 0.00 178.00 180.62 2dbd h TRP 94 N 0.00 0.05 0.10 1.56 7.01 -1.80 0.29 115.95 123.16 2dbd h TRP 94 Ca -0.00 0.00 -0.27 0.00 2.11 0.00 0.00 58.89 60.73 2dbd h TRP 94 Cb 0.82 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 27.86 2dbd h TRP 94 CO 0.00 0.03 -1.22 -0.07 -2.79 0.00 0.00 178.44 174.39 2dbd h LEU 95 N 0.06 0.35 -0.27 0.65 3.38 -1.63 -3.22 115.31 114.62 2dbd h LEU 95 Ca 0.10 -0.38 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 2dbd h LEU 95 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2dbd h LEU 95 CO -0.01 1.30 -0.88 -0.07 0.09 0.00 0.00 178.44 178.87 2dbd h LEU 96 N 0.06 0.12 0.21 1.67 3.38 -1.32 -2.06 115.31 117.38 2dbd h LEU 96 Ca -0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2dbd h LEU 96 Cb 1.94 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2dbd h LEU 96 CO 0.19 0.94 -0.10 -0.33 0.09 0.00 0.00 178.44 179.22 2dbd h GLU 97 N 0.05 -0.28 -0.66 1.13 5.08 -0.56 -3.22 114.58 116.12 2dbd h GLU 97 Ca -0.03 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2dbd h GLU 97 Cb 1.53 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 2dbd h GLU 97 CO 0.12 -0.18 0.44 -0.84 -1.00 0.00 0.00 179.01 177.55 2dbd h ILE 98 N -0.32 1.15 -1.23 3.13 3.07 -1.70 -3.45 117.51 118.16 2dbd h ILE 98 Ca -0.03 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2dbd h ILE 98 Cb 0.22 0.20 0.00 0.00 -0.27 0.00 0.00 36.82 36.97 2dbd h ILE 98 CO 0.05 0.16 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 2dbd n GLY 99 N -1.44 0.57 0.08 0.16 0.00 -0.88 -5.00 105.19 98.69 2dbd n GLY 99 Ca 0.07 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 2dbd n GLY 99 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dbd n PHE 100 N -0.49 0.91 -0.58 1.61 -0.00 -0.83 -4.95 117.46 113.13 2dbd n PHE 100 Ca 0.00 0.32 -0.30 0.00 -0.00 0.00 0.00 57.45 57.47 2dbd n PHE 100 Cb 0.21 -1.17 0.21 0.00 -0.00 0.00 0.00 39.48 38.73 2dbd n PHE 100 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2dbd n SER 101 N -3.03 -0.91 -4.52 -2.13 2.88 -1.26 -4.89 113.62 99.76 2dbd n SER 101 Ca -0.19 0.11 -0.42 0.00 -1.33 0.00 0.00 58.87 57.04 2dbd n SER 101 Cb 1.06 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 2dbd n SER 101 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbd s SER 102 N -2.46 6.35 0.00 -3.46 0.01 -1.26 -4.84 113.70 108.04 2dbd s SER 102 Ca 0.67 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.80 2dbd s SER 102 Cb -0.24 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2dbd s SER 102 CO 0.62 -1.54 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2dbd n GLY 103 N 5.91 4.59 3.29 3.44 0.00 -1.26 -5.13 105.19 116.03 2dbd n GLY 103 Ca 0.15 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 2dbd n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dbd n PRO 104 N -1.93 -1.53 0.00 1.61 -0.02 -1.26 -4.95 135.00 126.92 2dbd n PRO 104 Ca 0.00 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 2dbd n PRO 104 Cb 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2dbd n PRO 104 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2dbd n SER 105 N -1.68 0.00 0.00 2.55 7.64 -1.26 -5.07 113.62 115.80 2dbd n SER 105 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2dbd n SER 105 Cb 0.62 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 2dbd n SER 105 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dbd n SER 106 N -1.65 0.00 -0.17 6.43 2.88 -1.26 -5.11 113.62 114.73 2dbd n SER 106 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 2dbd n SER 106 Cb 0.00 0.00 0.80 0.00 -0.75 0.00 0.00 64.21 64.26 2dbd n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42