#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 1.96 0.42 1.61 2.88 -1.26 -4.64 113.62 114.60 2dbd n SER 2 Ca 0.00 0.12 -0.19 0.00 -1.33 0.00 0.00 58.87 57.47 2dbd n SER 2 Cb 0.00 -0.61 -0.09 0.00 -0.75 0.00 0.00 64.21 62.76 2dbd n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dbd h SER 3 N -0.52 -0.89 0.00 -3.46 0.02 -2.14 -3.47 113.55 103.08 2dbd h SER 3 Ca -0.62 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2dbd h SER 3 Cb 1.71 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.48 2dbd h SER 3 CO -0.26 -0.63 0.00 0.61 -1.14 0.00 0.00 176.83 175.40 2dbd n GLY 4 N -1.52 3.08 1.43 -3.77 0.00 -1.26 -4.98 105.19 98.18 2dbd n GLY 4 Ca -0.15 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.05 2dbd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dbd n SER 5 N 0.03 -8.24 -3.10 1.61 7.64 -1.26 -5.02 113.62 105.28 2dbd n SER 5 Ca 0.00 1.21 -0.00 0.00 1.01 0.00 0.00 58.87 61.09 2dbd n SER 5 Cb 0.00 -4.76 0.01 0.00 -1.01 0.00 0.00 64.21 58.45 2dbd n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dbd n SER 6 N -4.31 -1.26 -4.30 6.43 2.88 -1.26 -5.16 113.62 106.64 2dbd n SER 6 Ca -0.06 -1.52 -0.32 0.00 -1.33 0.00 0.00 58.87 55.63 2dbd n SER 6 Cb 0.67 2.01 -0.16 0.00 -0.75 0.00 0.00 64.21 65.98 2dbd n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dbd s GLY 7 N -3.39 1.35 -0.47 0.46 0.00 -1.26 -5.07 107.32 98.95 2dbd s GLY 7 Ca 0.22 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.98 2dbd s GLY 7 CO 0.02 -0.58 0.57 1.42 0.00 0.00 0.00 173.10 174.53 2dbd n HIS 8 N 2.99 -2.47 0.21 1.90 -0.00 -1.26 -4.99 115.22 111.58 2dbd n HIS 8 Ca -0.18 -2.28 0.18 0.00 -0.00 0.00 0.00 57.72 55.44 2dbd n HIS 8 Cb 0.52 0.91 0.75 0.00 -0.00 0.00 0.00 29.99 32.17 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 5.17 0.00 0.06 -0.41 0.11 -1.99 0.40 132.00 135.34 2dbd h PRO 9 Ca 0.14 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.89 2dbd h PRO 9 Cb 1.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2dbd h PRO 9 CO 0.19 0.00 -2.06 0.72 -0.21 0.00 0.00 178.00 176.64 2dbd n HIS 10 N -3.29 0.77 -0.08 0.65 8.25 -1.26 -4.03 115.22 116.23 2dbd n HIS 10 Ca 0.03 0.20 -0.14 0.00 -0.26 0.00 0.00 57.72 57.55 2dbd n HIS 10 Cb 0.54 -1.10 -0.05 0.00 1.12 0.00 0.00 29.99 30.51 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 -0.22 1.30 -0.34 1.59 2.04 -1.65 -3.07 117.51 117.16 2dbd h ILE 11 Ca -0.48 -1.62 0.06 0.00 1.00 0.00 0.00 64.86 63.82 2dbd h ILE 11 Cb 1.84 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 39.58 2dbd h ILE 11 CO -0.06 0.52 0.24 -0.61 0.00 0.00 0.00 178.15 178.24 2dbd h GLN 12 N 0.51 0.18 -0.08 2.37 -0.00 -0.47 -0.07 115.11 117.55 2dbd h GLN 12 Ca 0.02 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.62 2dbd h GLN 12 Cb 1.02 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.45 2dbd h GLN 12 CO 0.10 0.12 -0.16 -0.07 0.00 0.00 0.00 178.83 178.82 2dbd h LEU 13 N 0.19 0.12 0.18 -2.39 3.38 -1.67 0.96 115.31 116.08 2dbd h LEU 13 Ca 0.15 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 2dbd h LEU 13 Cb 0.37 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.11 2dbd h LEU 13 CO -0.03 0.30 -1.17 -0.07 0.09 0.00 0.00 178.44 177.56 2dbd h LEU 14 N 0.12 0.59 0.25 1.67 3.38 -1.10 -2.58 115.31 117.64 2dbd h LEU 14 Ca 0.02 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 2dbd h LEU 14 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dbd h LEU 14 CO 0.02 1.55 -0.12 0.11 0.09 0.00 0.00 178.44 180.09 2dbd h LYS 15 N -0.17 -0.33 -0.51 1.13 1.57 -1.19 0.23 116.57 117.30 2dbd h LYS 15 Ca -0.21 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2dbd h LYS 15 Cb 1.86 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 34.22 2dbd h LYS 15 CO 0.18 -0.02 0.33 1.03 -0.57 0.00 0.00 179.45 180.40 2dbd h SER 16 N -0.65 0.59 -0.97 0.86 0.87 -0.97 -2.53 113.55 110.74 2dbd h SER 16 Ca -0.03 -0.03 -0.62 0.00 -1.23 0.00 0.00 61.79 59.88 2dbd h SER 16 Cb 0.46 -0.15 -0.30 0.00 -0.44 0.00 0.00 62.40 61.98 2dbd h SER 16 CO 0.06 0.45 0.73 0.59 -0.53 0.00 0.00 176.83 178.12 2dbd n ASN 17 N -4.72 6.33 -0.01 6.23 3.02 -0.97 -4.53 115.26 120.61 2dbd n ASN 17 Ca 0.03 -3.74 -0.18 0.00 -0.03 0.00 0.00 54.58 50.66 2dbd n ASN 17 Cb 0.03 -0.91 -0.08 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 1.69 0.73 -0.05 3.52 2.43 -0.09 -1.98 114.38 120.63 2dbd h ARG 18 Ca 0.60 -0.65 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 2dbd h ARG 18 Cb 1.46 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.15 2dbd h ARG 18 CO 1.40 1.25 -0.66 0.93 -1.51 0.00 0.00 179.97 181.37 2dbd h GLU 19 N 0.43 0.23 -0.01 0.20 4.39 -1.81 -2.89 114.58 115.12 2dbd h GLU 19 Ca -0.07 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.29 2dbd h GLU 19 Cb 1.45 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 2dbd h GLU 19 CO 0.16 0.81 -0.75 1.25 -1.16 0.00 0.00 179.01 179.33 2dbd h LEU 20 N 0.16 0.13 -0.82 1.33 5.85 -1.87 -2.88 115.31 117.21 2dbd h LEU 20 Ca -0.01 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 2dbd h LEU 20 Cb 1.19 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2dbd h LEU 20 CO 0.10 0.82 -0.55 -0.07 -0.34 0.00 0.00 178.44 178.41 2dbd h LEU 21 N 0.06 0.13 -0.36 2.25 3.38 -1.28 -1.99 115.31 117.50 2dbd h LEU 21 Ca -0.02 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2dbd h LEU 21 Cb 1.32 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2dbd h LEU 21 CO 0.11 0.65 -0.79 0.58 0.09 0.00 0.00 178.44 179.07 2dbd h VAL 22 N 0.09 1.53 0.01 1.22 2.07 -1.45 0.14 116.25 119.85 2dbd h VAL 22 Ca -0.00 -2.75 -0.21 0.00 0.82 0.00 0.00 66.70 64.56 2dbd h VAL 22 Cb 0.99 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 2dbd h VAL 22 CO 0.08 0.78 -1.00 0.74 0.02 0.00 0.00 177.57 178.18 2dbd h THR 23 N 0.00 1.69 0.00 2.57 2.02 -1.36 -3.38 112.91 114.44 2dbd h THR 23 Ca -0.01 -3.35 -0.04 0.00 0.77 0.00 0.00 66.41 63.79 2dbd h THR 23 Cb 1.43 2.83 -0.01 0.00 -1.74 0.00 0.00 68.15 70.66 2dbd h THR 23 CO 0.10 0.96 -0.64 1.41 0.37 0.00 0.00 175.52 177.72 2dbd n HIS 24 N -3.38 0.95 -1.69 3.16 -0.00 -0.76 -4.85 115.22 108.64 2dbd n HIS 24 Ca -0.01 0.41 -0.42 0.00 -0.00 0.00 0.00 57.72 57.70 2dbd n HIS 24 Cb 0.93 -0.83 -0.03 0.00 -0.00 0.00 0.00 29.99 30.06 2dbd n HIS 24 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2dbd s ILE 25 N -2.26 3.09 -0.25 1.59 1.01 0.48 -4.84 121.20 120.01 2dbd s ILE 25 Ca -0.17 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.59 2dbd s ILE 25 Cb 0.03 -3.09 -0.16 0.00 0.01 0.00 0.00 42.46 39.25 2dbd s ILE 25 CO 0.28 -0.03 -0.23 -1.14 0.00 0.00 0.00 174.94 173.82 2dbd n ARG 26 N 8.06 0.63 -3.52 2.79 3.00 -1.26 -4.71 116.66 121.64 2dbd n ARG 26 Ca 0.24 0.15 -0.36 0.00 -0.00 0.00 0.00 57.85 57.87 2dbd n ARG 26 Cb 0.43 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.32 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 -6.47 6.43 -0.13 6.15 0.02 -1.26 -4.92 114.94 114.77 2dbd s ASN 27 Ca -0.34 0.51 0.11 0.00 -1.02 0.00 0.00 52.86 52.12 2dbd s ASN 27 Cb 0.09 -2.19 -0.16 0.00 0.02 0.00 0.00 41.25 39.01 2dbd s ASN 27 CO 0.58 0.08 0.04 0.35 0.02 0.00 0.00 177.10 178.17 2dbd n THR 28 N 3.64 0.88 0.20 1.60 -2.24 -1.26 -4.48 114.28 112.62 2dbd n THR 28 Ca -0.12 -0.54 0.09 0.00 -2.27 0.00 0.00 64.05 61.21 2dbd n THR 28 Cb 0.52 -0.66 0.62 0.00 -2.10 0.00 0.00 70.33 68.71 2dbd n THR 28 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2dbd h GLN 29 N 0.00 0.07 -0.85 -0.78 1.08 -1.97 -0.66 115.11 111.99 2dbd h GLN 29 Ca -0.35 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 2dbd h GLN 29 Cb 1.79 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 29.16 2dbd h GLN 29 CO 0.02 0.04 0.55 0.00 -0.95 0.00 0.00 178.83 178.49 2dbd h LEU 31 N 1.16 0.44 -0.72 0.00 3.38 -1.60 -2.95 115.31 115.03 2dbd h LEU 31 Ca 0.31 -0.94 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 2dbd h LEU 31 Cb -0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2dbd h LEU 31 CO -0.06 1.41 0.24 0.58 0.09 0.00 0.00 178.44 180.70 2dbd h VAL 32 N -0.39 1.26 0.50 1.22 2.07 -1.06 0.66 116.25 120.51 2dbd h VAL 32 Ca -0.16 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2dbd h VAL 32 Cb 1.64 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2dbd h VAL 32 CO 0.13 0.34 -0.24 -0.78 0.02 0.00 0.00 177.57 177.04 2dbd h ASP 33 N 1.05 -0.57 -0.56 0.57 1.82 0.26 -1.34 116.42 117.64 2dbd h ASP 33 Ca 0.23 -0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.83 2dbd h ASP 33 Cb 0.27 0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 2dbd h ASP 33 CO -0.01 -0.29 0.36 0.78 -1.61 0.00 0.00 179.24 178.48 2dbd h ASN 34 N -0.84 0.62 -0.08 2.28 2.35 -1.49 -1.75 115.58 116.66 2dbd h ASN 34 Ca -0.07 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2dbd h ASN 34 Cb 0.59 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.80 2dbd h ASN 34 CO 0.11 0.44 0.05 -0.07 -1.65 0.00 0.00 177.43 176.32 2dbd h LEU 35 N 0.74 0.08 -0.81 1.61 3.38 -0.84 -1.27 115.31 118.20 2dbd h LEU 35 Ca 0.21 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 2dbd h LEU 35 Cb -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2dbd h LEU 35 CO -0.06 0.06 -0.47 -0.07 0.09 0.00 0.00 178.44 177.99 2dbd h LEU 36 N 0.10 0.30 -0.61 1.67 3.38 -0.33 0.40 115.31 120.21 2dbd h LEU 36 Ca 0.03 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2dbd h LEU 36 Cb 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2dbd h LEU 36 CO -0.01 0.73 -0.03 0.50 0.09 0.00 0.00 178.44 179.72 2dbd h LYS 37 N 0.23 1.06 -0.00 1.13 3.64 -0.94 -2.39 116.57 119.30 2dbd h LYS 37 Ca 0.01 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2dbd h LYS 37 Cb 0.92 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2dbd h LYS 37 CO 0.08 1.05 0.00 0.09 -2.27 0.00 0.00 179.45 178.40 2dbd n ASN 38 N -4.17 0.37 -2.51 4.20 5.03 -1.11 -4.90 115.26 112.18 2dbd n ASN 38 Ca 0.03 -1.13 -0.17 0.00 0.87 0.00 0.00 54.58 54.17 2dbd n ASN 38 Cb 0.37 -0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.17 2dbd n ASN 38 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2dbd n ASP 39 N -0.70 -5.07 -0.03 6.41 2.03 -0.90 -4.92 116.55 113.36 2dbd n ASP 39 Ca 0.23 -0.30 -0.14 0.00 0.52 0.00 0.00 54.79 55.10 2dbd n ASP 39 Cb 0.17 -3.81 -0.14 0.00 -0.72 0.00 0.00 41.12 36.62 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 -4.26 0.88 -4.00 -0.67 4.02 0.10 -4.85 117.16 108.38 2dbd n TYR 40 Ca -0.04 0.26 -0.35 0.00 -0.01 0.00 0.00 57.90 57.75 2dbd n TYR 40 Cb 0.57 -1.14 -0.13 0.00 -0.02 0.00 0.00 39.34 38.62 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 -2.56 3.04 0.80 -0.72 0.40 -1.20 -5.02 117.98 112.71 2dbd s PHE 41 Ca -0.14 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 55.58 2dbd s PHE 41 Cb 0.07 -2.11 0.07 0.00 0.51 0.00 0.00 43.02 41.57 2dbd s PHE 41 CO 0.79 -0.28 1.13 -1.12 0.70 0.00 0.00 175.22 176.43 2dbd s SER 42 N 1.14 4.51 0.43 1.36 0.01 -1.26 -4.71 113.70 115.17 2dbd s SER 42 Ca 0.03 1.06 0.10 0.00 1.31 0.00 0.00 55.95 58.45 2dbd s SER 42 Cb -0.14 -1.72 0.92 0.00 0.21 0.00 0.00 66.02 65.29 2dbd s SER 42 CO 0.02 -1.93 2.03 0.00 0.41 0.00 0.00 173.24 173.76 2dbd h ALA 43 N -1.07 1.70 -0.01 1.44 0.00 -1.99 -1.40 119.26 117.93 2dbd h ALA 43 Ca -0.47 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 2dbd h ALA 43 Cb 1.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dbd h ALA 43 CO 0.63 0.24 -0.88 0.93 0.00 0.00 0.00 179.25 180.16 2dbd h GLU 44 N 0.32 0.36 -0.15 0.00 3.07 -1.99 -2.58 114.58 113.61 2dbd h GLU 44 Ca 0.08 -0.37 -0.04 0.00 -0.50 0.00 0.00 59.36 58.53 2dbd h GLU 44 Cb 0.11 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2dbd h GLU 44 CO -0.01 1.04 -0.07 -0.44 -1.40 0.00 0.00 179.01 178.13 2dbd h ASP 45 N 0.21 0.32 0.31 1.42 3.32 -1.76 -2.84 116.42 117.39 2dbd h ASP 45 Ca -0.06 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 2dbd h ASP 45 Cb 1.50 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 2dbd h ASP 45 CO 0.15 0.66 -0.28 0.00 -1.72 0.00 0.00 179.24 178.05 2dbd h ALA 46 N 0.66 1.49 -0.49 3.45 0.00 -1.35 -2.67 119.26 120.37 2dbd h ALA 46 Ca 0.03 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2dbd h ALA 46 Cb 0.54 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2dbd h ALA 46 CO 0.02 0.35 -0.08 0.93 0.00 0.00 0.00 179.25 180.47 2dbd h GLU 47 N 0.00 0.87 -0.43 0.00 5.08 -1.34 -1.56 114.58 117.19 2dbd h GLU 47 Ca -0.00 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 2dbd h GLU 47 Cb 0.51 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2dbd h GLU 47 CO 0.04 0.92 -0.04 0.82 -1.00 0.00 0.00 179.01 179.74 2dbd h ILE 48 N 0.79 1.27 0.39 3.13 2.04 -1.24 -0.84 117.51 123.05 2dbd h ILE 48 Ca 0.14 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 2dbd h ILE 48 Cb 0.58 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2dbd h ILE 48 CO 0.04 0.38 -0.19 0.58 0.00 0.00 0.00 178.15 178.96 2dbd h VAL 49 N 0.62 0.58 -0.08 1.67 2.07 -1.40 -2.98 116.25 116.73 2dbd h VAL 49 Ca 0.12 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2dbd h VAL 49 Cb 0.55 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2dbd h VAL 49 CO 0.03 0.07 0.06 0.00 0.02 0.00 0.00 177.57 177.76 2dbd h ALA 51 N 1.96 1.43 -2.63 0.00 0.00 -0.98 -3.43 119.26 115.60 2dbd h ALA 51 Ca 0.04 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 2dbd h ALA 51 Cb 0.12 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.05 2dbd h ALA 51 CO -0.00 -0.12 0.32 0.00 0.00 0.00 0.00 179.25 179.45 2dbd h PRO 53 N 1.61 0.48 -6.04 0.00 0.13 -1.89 -3.47 132.00 122.82 2dbd h PRO 53 Ca -0.47 -0.51 -0.54 0.00 -0.87 0.00 0.00 66.00 63.61 2dbd h PRO 53 Cb 1.32 0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.55 2dbd h PRO 53 CO 0.57 1.15 -0.37 0.95 -0.23 0.00 0.00 178.00 180.08 2dbd s THR 54 N -3.25 2.22 -0.06 1.56 -4.23 -1.26 -5.07 115.64 105.55 2dbd s THR 54 Ca -0.12 -1.46 -0.23 0.00 -1.18 0.00 0.00 61.69 58.69 2dbd s THR 54 Cb 0.04 -2.68 -0.18 0.00 1.34 0.00 0.00 72.50 71.03 2dbd s THR 54 CO 0.84 0.00 0.95 -0.61 -0.54 0.00 0.00 174.62 175.26 2dbd h GLN 55 N 1.00 -0.13 -0.77 3.99 5.75 -1.95 -3.18 115.11 119.82 2dbd h GLN 55 Ca -0.40 0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.34 2dbd h GLN 55 Cb 1.28 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.83 2dbd h GLN 55 CO 0.60 0.37 0.63 -1.35 -2.65 0.00 0.00 178.83 176.42 2dbd h PRO 56 N -0.79 0.00 -0.03 -2.39 0.11 -1.91 0.34 132.00 127.33 2dbd h PRO 56 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 2dbd h PRO 56 Cb 0.57 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 2dbd h PRO 56 CO 0.02 0.00 -0.76 -0.44 -0.21 0.00 0.00 178.00 176.62 2dbd h ASP 57 N 0.00 0.25 -0.49 -2.05 5.19 -1.96 -3.07 116.42 114.29 2dbd h ASP 57 Ca 0.37 -0.17 -0.11 0.00 -0.62 0.00 0.00 57.03 56.50 2dbd h ASP 57 Cb 1.61 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 41.04 2dbd h ASP 57 CO -0.00 0.91 -0.11 0.11 -3.12 0.00 0.00 179.24 177.02 2dbd h LYS 58 N 0.13 0.94 -0.66 3.56 1.57 -0.31 -2.34 116.57 119.46 2dbd h LYS 58 Ca -0.03 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 2dbd h LYS 58 Cb 1.33 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 2dbd h LYS 58 CO 0.11 1.02 0.32 0.28 -0.57 0.00 0.00 179.45 180.62 2dbd h VAL 59 N 0.79 1.22 -0.02 0.50 2.07 -1.50 -1.26 116.25 118.05 2dbd h VAL 59 Ca 0.12 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.97 2dbd h VAL 59 Cb 0.67 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2dbd h VAL 59 CO 0.05 0.25 -0.31 -0.09 0.02 0.00 0.00 177.57 177.50 2dbd h ARG 60 N 0.91 0.04 -0.10 1.57 2.43 -1.44 -2.26 114.38 115.52 2dbd h ARG 60 Ca 0.23 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 2dbd h ARG 60 Cb 0.11 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2dbd h ARG 60 CO -0.03 0.34 -0.49 -0.22 -1.51 0.00 0.00 179.97 178.07 2dbd h LYS 61 N 0.03 0.51 -0.50 0.20 1.63 -0.86 -2.62 116.57 114.97 2dbd h LYS 61 Ca 0.00 -0.41 -0.02 0.00 -0.85 0.00 0.00 60.65 59.38 2dbd h LYS 61 Cb 0.56 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 2dbd h LYS 61 CO 0.04 1.04 0.25 0.82 -3.45 0.00 0.00 179.45 178.16 2dbd h ILE 62 N 0.10 1.19 -0.86 2.00 2.04 -1.08 -1.10 117.51 119.79 2dbd h ILE 62 Ca -0.03 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2dbd h ILE 62 Cb 1.13 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2dbd h ILE 62 CO 0.10 0.20 0.43 -0.07 0.00 0.00 0.00 178.15 178.81 2dbd h LEU 63 N 0.67 1.11 -0.84 1.44 3.38 -1.47 -0.77 115.31 118.83 2dbd h LEU 63 Ca 0.17 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2dbd h LEU 63 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2dbd h LEU 63 CO -0.02 0.92 -0.18 -0.78 0.09 0.00 0.00 178.44 178.47 2dbd h ASP 64 N 1.21 0.67 -0.15 -0.43 1.82 -1.14 -2.09 116.42 116.31 2dbd h ASP 64 Ca 0.30 -0.21 -0.06 0.00 -0.39 0.00 0.00 57.03 56.67 2dbd h ASP 64 Cb 0.10 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 39.92 2dbd h ASP 64 CO -0.04 0.85 -0.12 -0.07 -1.61 0.00 0.00 179.24 178.25 2dbd h LEU 65 N 0.60 0.36 -1.34 2.28 3.38 -0.75 -2.88 115.31 116.96 2dbd h LEU 65 Ca 0.09 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2dbd h LEU 65 Cb 0.64 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2dbd h LEU 65 CO 0.05 0.75 0.36 0.58 0.09 0.00 0.00 178.44 180.26 2dbd h VAL 66 N -0.02 1.17 -0.20 1.22 2.07 -1.09 -1.03 116.25 118.36 2dbd h VAL 66 Ca 0.03 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2dbd h VAL 66 Cb 0.64 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2dbd h VAL 66 CO 0.03 0.18 -0.14 1.56 0.02 0.00 0.00 177.57 179.22 2dbd h GLN 67 N 0.82 0.34 0.04 1.57 4.20 -1.32 -2.61 115.11 118.15 2dbd h GLN 67 Ca 0.21 -0.09 -0.22 0.00 0.06 0.00 0.00 58.65 58.61 2dbd h GLN 67 Cb -0.03 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2dbd h GLN 67 CO -0.04 0.48 -1.03 0.77 -0.67 0.00 0.00 178.83 178.34 2dbd h SER 68 N 0.31 0.18 0.00 1.46 0.02 -1.09 -3.37 113.55 111.06 2dbd h SER 68 Ca 0.06 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2dbd h SER 68 Cb 0.44 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2dbd h SER 68 CO 0.03 1.09 0.00 0.29 -1.14 0.00 0.00 176.83 177.10 2dbd n LYS 69 N -3.48 0.00 -3.98 3.45 5.02 -0.48 -5.04 118.16 113.65 2dbd n LYS 69 Ca -0.03 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2dbd n LYS 69 Cb 0.93 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.95 -2.58 0.19 0.72 0.00 -1.10 -4.95 105.19 96.53 2dbd n GLY 70 Ca 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 0.00 -0.32 1.61 5.08 -1.92 -1.91 114.58 117.12 2dbd h GLU 71 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2dbd h GLU 71 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2dbd h GLU 71 CO 0.00 0.36 0.17 1.49 -1.00 0.00 0.00 179.01 180.03 2dbd h GLU 72 N 0.00 0.34 0.00 2.33 4.57 -1.95 -1.62 114.58 118.25 2dbd h GLU 72 Ca -0.00 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.96 2dbd h GLU 72 Cb 0.69 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2dbd h GLU 72 CO 0.05 0.22 -0.94 0.28 -1.18 0.00 0.00 179.01 177.44 2dbd h VAL 73 N 0.35 1.65 -0.32 0.32 2.07 -1.87 -3.19 116.25 115.26 2dbd h VAL 73 Ca 0.13 -3.15 -0.02 0.00 0.82 0.00 0.00 66.70 64.48 2dbd h VAL 73 Cb 0.04 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 2dbd h VAL 73 CO -0.08 0.90 0.10 -1.28 0.02 0.00 0.00 177.57 177.23 2dbd h SER 74 N 0.01 0.41 -0.05 0.57 0.87 -0.99 -0.73 113.55 113.64 2dbd h SER 74 Ca -0.02 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 2dbd h SER 74 Cb 1.65 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2dbd h SER 74 CO 0.12 0.40 -0.24 -0.08 -0.53 0.00 0.00 176.83 176.50 2dbd h GLU 75 N 0.45 0.25 -0.90 2.24 4.81 -1.32 -2.76 114.58 117.34 2dbd h GLU 75 Ca 0.11 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2dbd h GLU 75 Cb 0.14 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2dbd h GLU 75 CO -0.01 0.86 0.52 0.35 -0.73 0.00 0.00 179.01 179.99 2dbd h PHE 76 N -0.30 1.21 -0.68 0.92 3.57 -1.49 0.66 116.94 120.83 2dbd h PHE 76 Ca -0.02 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 2dbd h PHE 76 Cb 0.90 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 2dbd h PHE 76 CO 0.14 0.82 0.20 0.35 -2.23 0.00 0.00 178.31 177.59 2dbd h PHE 77 N 1.25 1.08 0.00 0.41 3.57 -1.18 -2.51 116.94 119.55 2dbd h PHE 77 Ca 0.32 -0.10 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 2dbd h PHE 77 Cb -0.01 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 2dbd h PHE 77 CO 0.01 0.86 -0.79 -0.07 -2.23 0.00 0.00 178.31 176.08 2dbd h LEU 78 N 1.01 0.00 -0.43 0.59 3.38 -1.12 -3.26 115.31 115.47 2dbd h LEU 78 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2dbd h LEU 78 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2dbd h LEU 78 CO -0.01 0.79 0.16 0.22 0.09 0.00 0.00 178.44 179.70 2dbd h TYR 79 N 0.00 0.67 -0.34 1.13 5.03 -0.50 -2.63 116.97 120.33 2dbd h TYR 79 Ca -0.01 -0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.25 2dbd h TYR 79 Cb 1.41 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.47 2dbd h TYR 79 CO 0.00 0.59 0.22 -0.07 -1.32 0.00 0.00 178.16 177.58 2dbd h LEU 80 N 0.56 0.39 -2.09 2.82 3.38 -1.50 -1.24 115.31 117.63 2dbd h LEU 80 Ca 0.14 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2dbd h LEU 80 Cb 0.22 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2dbd h LEU 80 CO -0.01 0.28 0.09 -0.07 0.09 0.00 0.00 178.44 178.82 2dbd h LEU 81 N 0.46 0.00 0.00 1.67 3.38 -1.51 0.17 115.31 119.47 2dbd h LEU 81 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2dbd h LEU 81 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2dbd h LEU 81 CO -0.03 0.00 -0.07 1.56 0.09 0.00 0.00 178.44 180.00 2dbd h GLN 82 N 0.00 0.00 -0.21 1.13 4.20 -1.26 0.54 115.11 119.51 2dbd h GLN 82 Ca 0.05 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.81 2dbd h GLN 82 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2dbd h GLN 82 CO -0.00 0.32 0.15 1.96 -0.67 0.00 0.00 178.83 180.59 2dbd h GLN 83 N -1.00 0.08 0.00 1.46 4.20 -1.35 -0.82 115.11 117.68 2dbd h GLN 83 Ca -0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2dbd h GLN 83 Cb 0.36 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2dbd h GLN 83 CO -0.01 0.05 -0.99 1.28 -0.67 0.00 0.00 178.83 178.50 2dbd n LEU 84 N -4.49 0.72 -0.07 1.46 4.77 0.57 -4.29 117.00 115.67 2dbd n LEU 84 Ca 0.02 -0.24 0.26 0.00 -0.03 0.00 0.00 56.01 56.01 2dbd n LEU 84 Cb 0.23 -0.07 0.70 0.00 -2.33 0.00 0.00 43.42 41.94 2dbd n LEU 84 CO 0.35 0.15 1.23 0.00 -1.33 0.00 0.00 177.39 177.79 2dbd h ALA 85 N 2.80 2.54 0.00 -1.18 0.00 0.65 0.59 119.26 124.67 2dbd h ALA 85 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2dbd h ALA 85 Cb 0.60 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2dbd h ALA 85 CO 0.00 -1.04 -0.33 0.22 0.00 0.00 0.00 179.25 178.10 2dbd h ASP 86 N 0.00 0.00 0.21 0.00 3.58 -1.75 0.86 116.42 119.32 2dbd h ASP 86 Ca 0.34 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.53 2dbd h ASP 86 Cb 1.67 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.74 2dbd h ASP 86 CO -0.00 0.33 -1.09 0.00 -2.88 0.00 0.00 179.24 175.60 2dbd h ALA 87 N 1.67 0.16 0.00 -0.78 0.00 -0.11 -3.36 119.26 116.83 2dbd h ALA 87 Ca -0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 2dbd h ALA 87 Cb 0.63 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2dbd h ALA 87 CO 0.04 0.76 -0.70 1.88 0.00 0.00 0.00 179.25 181.23 2dbd h TYR 88 N 0.28 0.00 -0.41 0.00 -1.99 -1.38 -3.48 116.97 109.99 2dbd h TYR 88 Ca -0.13 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.42 2dbd h TYR 88 Cb 1.75 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 40.41 2dbd h TYR 88 CO 0.09 1.15 -0.16 0.28 -0.00 0.00 0.00 178.16 179.52 2dbd n VAL 89 N -4.52 0.00 -0.02 -2.88 0.31 0.30 -4.78 118.33 106.73 2dbd n VAL 89 Ca -0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.10 2dbd n VAL 89 Cb 0.55 -1.21 -0.04 0.00 -0.91 0.00 0.00 33.84 32.23 2dbd n VAL 89 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2dbd n ASP 90 N -0.56 3.85 -1.88 4.52 -0.08 -1.26 -4.61 116.55 116.54 2dbd n ASP 90 Ca -0.09 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.09 2dbd n ASP 90 Cb 0.44 0.68 0.22 0.00 2.34 0.00 0.00 41.12 44.80 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 -2.12 5.64 -0.07 -2.67 4.77 -1.26 -4.40 117.00 116.89 2dbd n LEU 91 Ca -0.07 -2.95 -0.12 0.00 -0.03 0.00 0.00 56.01 52.84 2dbd n LEU 91 Cb 0.59 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 2dbd n LEU 91 CO 0.10 0.80 0.09 -0.09 -1.33 0.00 0.00 177.39 176.97 2dbd h ARG 92 N 1.77 0.00 -0.54 3.23 2.43 -1.88 -3.26 114.38 116.13 2dbd h ARG 92 Ca 0.32 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.65 2dbd h ARG 92 Cb 2.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.76 2dbd h ARG 92 CO 0.72 0.75 0.39 -1.35 -1.51 0.00 0.00 179.97 178.97 2dbd h PRO 93 N -1.00 0.00 -0.18 0.20 0.11 -1.92 0.06 132.00 129.26 2dbd h PRO 93 Ca -0.07 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.88 2dbd h PRO 93 Cb 0.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2dbd h PRO 93 CO -0.04 0.00 -0.56 2.35 -0.21 0.00 0.00 178.00 179.54 2dbd h TRP 94 N 0.00 0.71 0.10 0.65 7.01 -1.84 -2.30 115.95 120.27 2dbd h TRP 94 Ca 0.26 -0.25 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dbd h TRP 94 Cb 1.03 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.96 2dbd h TRP 94 CO 0.00 0.99 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.52 2dbd h LEU 95 N 0.43 -0.11 -1.79 0.65 3.38 -1.03 -2.75 115.31 114.08 2dbd h LEU 95 Ca 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2dbd h LEU 95 Cb 1.10 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2dbd h LEU 95 CO 0.11 0.24 0.04 -0.07 0.09 0.00 0.00 178.44 178.85 2dbd h LEU 96 N -0.48 0.16 0.32 1.67 3.38 -1.50 0.30 115.31 119.17 2dbd h LEU 96 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2dbd h LEU 96 Cb 0.39 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dbd h LEU 96 CO 0.02 0.15 -0.15 -0.08 0.09 0.00 0.00 178.44 178.47 2dbd h GLU 97 N 0.18 -0.42 -0.06 1.13 4.57 -1.28 -3.18 114.58 115.53 2dbd h GLU 97 Ca 0.05 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 2dbd h GLU 97 Cb 0.05 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2dbd h GLU 97 CO -0.00 -0.28 -0.23 -0.84 -1.18 0.00 0.00 179.01 176.48 2dbd h ILE 98 N -0.47 1.19 -3.06 2.32 3.07 -1.43 -3.48 117.51 115.66 2dbd h ILE 98 Ca -0.04 -0.90 -0.00 0.00 1.55 0.00 0.00 64.86 65.46 2dbd h ILE 98 Cb 0.33 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 2dbd h ILE 98 CO 0.07 0.27 -0.01 0.61 -1.05 0.00 0.00 178.15 178.04 2dbd n GLY 99 N -0.77 0.42 0.32 0.16 0.00 0.10 -4.97 105.19 100.45 2dbd n GLY 99 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.01 0.98 -3.54 1.61 3.57 -1.86 -3.37 116.94 114.33 2dbd h PHE 100 Ca -0.01 -0.08 -0.68 0.00 3.53 0.00 0.00 57.97 60.73 2dbd h PHE 100 Cb 1.00 -0.29 -0.36 0.00 2.79 0.00 0.00 35.95 39.09 2dbd h PHE 100 CO 0.01 0.78 -0.58 -1.54 -2.23 0.00 0.00 178.31 174.75 2dbd s SER 101 N -6.51 5.07 0.68 0.41 1.04 -1.26 -5.09 113.70 108.04 2dbd s SER 101 Ca -0.11 -2.22 0.01 0.00 0.48 0.00 0.00 55.95 54.11 2dbd s SER 101 Cb 0.16 -1.77 0.12 0.00 0.10 0.00 0.00 66.02 64.62 2dbd s SER 101 CO 0.81 -0.46 0.94 -0.94 0.98 0.00 0.00 173.24 174.58 2dbd s SER 102 N 1.32 4.53 0.00 7.02 1.04 -1.26 -5.05 113.70 121.30 2dbd s SER 102 Ca 0.11 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2dbd s SER 102 Cb -0.22 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2dbd s SER 102 CO -0.05 -1.73 0.00 0.61 0.98 0.00 0.00 173.24 173.05 2dbd n GLY 103 N -2.70 2.29 3.78 7.32 0.00 -1.26 -5.06 105.19 109.57 2dbd n GLY 103 Ca 0.15 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.47 2.13 -0.13 1.61 0.04 -1.26 -5.01 135.00 127.91 2dbd s PRO 104 Ca 0.00 0.85 0.03 0.00 0.04 0.00 0.00 61.00 61.91 2dbd s PRO 104 Cb 0.00 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 2dbd s PRO 104 CO 0.00 -1.64 -0.09 0.43 0.04 0.00 0.00 177.00 175.74 2dbd n SER 105 N -3.48 2.85 -4.81 6.66 7.64 -1.26 -4.99 113.62 116.24 2dbd n SER 105 Ca 0.07 -0.06 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 2dbd n SER 105 Cb 0.55 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.64 2dbd n SER 105 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dbd s SER 106 N -5.13 6.47 0.00 6.43 0.15 -1.26 -5.35 113.70 115.00 2dbd s SER 106 Ca -0.16 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.09 2dbd s SER 106 Cb 0.04 -2.14 0.04 0.00 -1.71 0.00 0.00 66.02 62.25 2dbd s SER 106 CO 0.33 0.27 0.64 0.61 1.20 0.00 0.00 173.24 176.30