#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 3.84 0.53 1.61 0.01 -1.26 -4.79 113.70 113.64 2dbd s SER 2 Ca 0.00 2.27 0.00 0.00 1.31 0.00 0.00 55.95 59.53 2dbd s SER 2 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2dbd s SER 2 CO 0.00 -2.49 0.00 -1.20 0.41 0.00 0.00 173.24 169.96 2dbd n SER 3 N -3.22 -8.44 0.00 2.44 7.64 -1.26 -5.06 113.62 105.72 2dbd n SER 3 Ca 0.13 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2dbd n SER 3 Cb 0.51 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 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 -4.32 -2.36 3.68 0.23 0.00 -1.26 -5.12 105.19 96.04 2dbd n GLY 4 Ca -0.05 0.78 -0.41 0.00 0.00 0.00 0.00 46.02 46.34 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 0.83 6.91 0.57 1.61 0.01 -1.26 -5.04 113.70 117.33 2dbd s SER 5 Ca 0.00 1.12 -0.17 0.00 1.31 0.00 0.00 55.95 58.20 2dbd s SER 5 Cb 0.00 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 2dbd s SER 5 CO 0.00 -0.32 1.07 -0.44 0.41 0.00 0.00 173.24 173.96 2dbd s SER 6 N 1.10 5.84 -0.08 2.44 0.01 -1.26 -5.06 113.70 116.69 2dbd s SER 6 Ca 0.36 1.92 -0.02 0.00 1.31 0.00 0.00 55.95 59.52 2dbd s SER 6 Cb -0.17 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.55 2dbd s SER 6 CO 0.13 -1.13 0.05 -0.83 0.41 0.00 0.00 173.24 171.87 2dbd s GLY 7 N -2.40 0.31 -0.65 3.44 0.00 -1.26 -5.09 107.32 101.67 2dbd s GLY 7 Ca 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 44.72 45.38 2dbd s GLY 7 CO 0.31 1.40 0.46 0.30 0.00 0.00 0.00 173.10 175.57 2dbd s HIS 8 N 2.11 3.43 0.59 1.90 4.02 -1.26 -4.94 115.29 121.15 2dbd s HIS 8 Ca 0.04 -2.89 0.29 0.00 1.02 0.00 0.00 55.06 53.52 2dbd s HIS 8 Cb -0.13 -3.10 1.46 0.00 -1.02 0.00 0.00 32.58 29.79 2dbd s HIS 8 CO -0.05 -0.79 1.87 -1.35 1.02 0.00 0.00 174.74 175.45 2dbd h PRO 9 N 6.66 0.00 0.11 8.40 0.11 -1.98 0.81 132.00 146.11 2dbd h PRO 9 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2dbd h PRO 9 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2dbd h PRO 9 CO 0.73 0.00 -0.05 0.45 -0.21 0.00 0.00 178.00 178.91 2dbd h HIS 10 N 0.00 -0.13 -0.53 0.65 3.86 -1.92 -2.90 115.15 114.18 2dbd h HIS 10 Ca 0.24 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.34 2dbd h HIS 10 Cb 1.27 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.77 2dbd h HIS 10 CO 0.00 -0.04 -0.09 0.82 0.86 0.00 0.00 177.93 179.48 2dbd h ILE 11 N -1.03 1.27 -0.79 2.45 2.04 -1.74 -3.03 117.51 116.67 2dbd h ILE 11 Ca -0.01 -1.23 0.03 0.00 1.00 0.00 0.00 64.86 64.64 2dbd h ILE 11 Cb 0.15 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2dbd h ILE 11 CO 0.02 0.43 0.51 1.56 0.00 0.00 0.00 178.15 180.67 2dbd h GLN 12 N 0.87 0.97 -0.04 2.37 1.08 0.47 0.38 115.11 121.20 2dbd h GLN 12 Ca 0.14 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2dbd h GLN 12 Cb 0.65 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2dbd h GLN 12 CO 0.04 0.64 0.02 -0.07 -0.95 0.00 0.00 178.83 178.52 2dbd h LEU 13 N 0.99 0.05 0.13 1.46 3.38 -1.39 0.21 115.31 120.15 2dbd h LEU 13 Ca 0.31 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 2dbd h LEU 13 Cb -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.74 2dbd h LEU 13 CO -0.10 0.04 -1.01 -0.07 0.09 0.00 0.00 178.44 177.39 2dbd h LEU 14 N 0.06 0.44 0.32 1.67 3.38 -1.20 -2.70 115.31 117.27 2dbd h LEU 14 Ca 0.02 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.06 2dbd h LEU 14 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2dbd h LEU 14 CO -0.00 1.47 -0.15 0.11 0.09 0.00 0.00 178.44 179.95 2dbd h LYS 15 N -0.36 -0.41 -0.34 1.13 1.57 -0.61 0.85 116.57 118.40 2dbd h LYS 15 Ca -0.20 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2dbd h LYS 15 Cb 1.68 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 34.06 2dbd h LYS 15 CO 0.12 -0.12 0.22 0.77 -0.57 0.00 0.00 179.45 179.87 2dbd h SER 16 N -0.70 0.38 -0.89 0.86 0.02 -0.77 -2.52 113.55 109.94 2dbd h SER 16 Ca -0.04 -0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.33 2dbd h SER 16 Cb 0.48 -0.09 -0.26 0.00 0.14 0.00 0.00 62.40 62.66 2dbd h SER 16 CO 0.07 0.28 0.73 0.59 -1.14 0.00 0.00 176.83 177.36 2dbd n ASN 17 N -4.86 6.43 0.13 3.07 3.02 -1.02 -4.60 115.26 117.43 2dbd n ASN 17 Ca -0.01 -3.59 -0.14 0.00 -0.03 0.00 0.00 54.58 50.82 2dbd n ASN 17 Cb 0.03 -0.94 -0.08 0.00 -0.61 0.00 0.00 39.78 38.17 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 -0.29 -0.22 3.52 2.43 -0.36 -1.12 114.38 119.97 2dbd h ARG 18 Ca 0.55 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.70 2dbd h ARG 18 Cb 1.33 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 2dbd h ARG 18 CO 1.31 -0.03 -0.06 0.93 -1.51 0.00 0.00 179.97 180.60 2dbd h GLU 19 N -0.51 0.34 -0.17 0.20 5.08 -1.84 -2.27 114.58 115.41 2dbd h GLU 19 Ca -0.03 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2dbd h GLU 19 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2dbd h GLU 19 CO 0.05 0.42 -0.39 1.25 -1.00 0.00 0.00 179.01 179.33 2dbd h LEU 20 N 0.33 0.40 -0.94 1.33 5.85 -1.85 -2.79 115.31 117.64 2dbd h LEU 20 Ca 0.07 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 2dbd h LEU 20 Cb 0.32 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2dbd h LEU 20 CO 0.01 0.76 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.33 2dbd h LEU 21 N 0.32 0.15 -0.70 2.25 3.38 -0.63 -0.26 115.31 119.83 2dbd h LEU 21 Ca 0.03 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2dbd h LEU 21 Cb 0.84 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2dbd h LEU 21 CO 0.07 0.60 -0.63 0.58 0.09 0.00 0.00 178.44 179.14 2dbd h VAL 22 N 0.11 1.44 0.15 1.22 2.07 -1.25 0.49 116.25 120.48 2dbd h VAL 22 Ca 0.01 -2.13 -0.27 0.00 0.82 0.00 0.00 66.70 65.13 2dbd h VAL 22 Cb 0.88 2.13 0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2dbd h VAL 22 CO 0.07 0.61 -1.31 0.74 0.02 0.00 0.00 177.57 177.70 2dbd h THR 23 N 0.06 1.18 0.26 2.57 2.02 -1.28 -3.39 112.91 114.33 2dbd h THR 23 Ca -0.01 -2.50 -0.01 0.00 0.77 0.00 0.00 66.41 64.66 2dbd h THR 23 Cb 1.13 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.44 2dbd h THR 23 CO 0.09 0.74 -0.13 0.45 0.37 0.00 0.00 175.52 177.05 2dbd h HIS 24 N -0.20 -0.33 -3.11 3.16 -0.00 -1.09 -3.43 115.15 110.14 2dbd h HIS 24 Ca -0.26 -0.01 -0.55 0.00 -0.00 0.00 0.00 60.37 59.55 2dbd h HIS 24 Cb 1.83 0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 29.33 2dbd h HIS 24 CO 0.14 0.00 0.69 0.42 -0.00 0.00 0.00 177.93 179.18 2dbd s ILE 25 N -3.46 4.37 -0.03 2.45 1.01 0.16 -4.67 121.20 121.04 2dbd s ILE 25 Ca -0.11 1.68 0.00 0.00 0.00 0.00 0.00 60.65 62.22 2dbd s ILE 25 Cb 0.01 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2dbd s ILE 25 CO 0.39 -0.01 -0.02 0.54 0.00 0.00 0.00 174.94 175.83 2dbd n ARG 26 N 5.28 0.06 -2.72 2.79 1.74 -1.26 -4.58 116.66 117.96 2dbd n ARG 26 Ca 0.11 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 2dbd n ARG 26 Cb 0.47 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 2dbd n ARG 26 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2dbd s ASN 27 N -4.33 6.27 -0.09 0.55 0.01 -1.26 -4.83 114.94 111.25 2dbd s ASN 27 Ca -0.03 -0.46 0.11 0.00 -0.71 0.00 0.00 52.86 51.76 2dbd s ASN 27 Cb 0.01 -2.49 -0.24 0.00 0.41 0.00 0.00 41.25 38.95 2dbd s ASN 27 CO 0.06 -1.50 0.48 0.35 -1.51 0.00 0.00 177.10 174.98 2dbd n THR 28 N 6.26 1.58 -0.08 1.60 -2.24 -1.26 -3.97 114.28 116.17 2dbd n THR 28 Ca 0.02 -0.79 0.04 0.00 -2.27 0.00 0.00 64.05 61.05 2dbd n THR 28 Cb 0.48 -1.01 0.37 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.01 0.67 -0.23 -0.78 1.08 -1.99 -0.40 115.11 113.48 2dbd h GLN 29 Ca -0.36 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 56.69 2dbd h GLN 29 Cb 2.06 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 29.34 2dbd h GLN 29 CO 0.06 0.45 -0.25 0.00 -0.95 0.00 0.00 178.83 178.14 2dbd h LEU 31 N 0.27 0.47 -0.83 0.00 3.38 -1.56 -2.37 115.31 114.67 2dbd h LEU 31 Ca 0.03 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2dbd h LEU 31 Cb 0.81 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2dbd h LEU 31 CO 0.06 0.56 -0.23 0.58 0.09 0.00 0.00 178.44 179.50 2dbd h VAL 32 N 0.35 1.27 -0.41 1.22 2.07 -1.11 -1.90 116.25 117.74 2dbd h VAL 32 Ca 0.10 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.33 2dbd h VAL 32 Cb 0.27 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2dbd h VAL 32 CO -0.00 0.42 0.27 0.44 0.02 0.00 0.00 177.57 178.72 2dbd h ASP 33 N 0.55 0.48 -0.25 0.57 5.19 -0.89 -0.91 116.42 121.16 2dbd h ASP 33 Ca 0.08 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 2dbd h ASP 33 Cb 0.69 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2dbd h ASP 33 CO 0.05 0.35 -0.13 0.78 -3.12 0.00 0.00 179.24 177.17 2dbd h ASN 34 N 0.56 0.54 -0.27 6.45 2.35 -1.32 -2.79 115.58 121.10 2dbd h ASN 34 Ca 0.15 -0.41 0.04 0.00 -0.55 0.00 0.00 56.30 55.53 2dbd h ASN 34 Cb -0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2dbd h ASN 34 CO -0.03 0.84 0.19 -0.07 -1.65 0.00 0.00 177.43 176.70 2dbd h LEU 35 N 0.24 0.15 -0.21 1.61 3.38 -1.15 0.85 115.31 120.18 2dbd h LEU 35 Ca 0.05 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2dbd h LEU 35 Cb 0.64 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2dbd h LEU 35 CO 0.04 0.10 -0.27 -0.07 0.09 0.00 0.00 178.44 178.33 2dbd h LEU 36 N 0.18 0.60 -0.84 1.67 3.38 -0.99 0.24 115.31 119.55 2dbd h LEU 36 Ca 0.12 -0.50 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 2dbd h LEU 36 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2dbd h LEU 36 CO -0.02 0.99 -0.58 0.50 0.09 0.00 0.00 178.44 179.42 2dbd h LYS 37 N 0.23 0.02 -0.00 1.13 3.64 -1.09 -2.66 116.57 117.83 2dbd h LYS 37 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2dbd h LYS 37 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2dbd h LYS 37 CO 0.06 0.59 0.00 0.09 -2.27 0.00 0.00 179.45 177.92 2dbd n ASN 38 N -3.86 0.22 -3.04 4.20 5.03 0.22 -4.91 115.26 113.12 2dbd n ASN 38 Ca -0.01 -1.09 -0.15 0.00 0.87 0.00 0.00 54.58 54.19 2dbd n ASN 38 Cb 0.58 -0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.41 2dbd n ASN 38 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2dbd n ASP 39 N -0.82 -2.48 -0.03 6.41 9.92 -1.00 -4.94 116.55 123.60 2dbd n ASP 39 Ca 0.23 -0.51 -0.05 0.00 -0.53 0.00 0.00 54.79 53.93 2dbd n ASP 39 Cb 0.14 -4.37 -0.03 0.00 -0.64 0.00 0.00 41.12 36.22 2dbd n ASP 39 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2dbd n TYR 40 N -3.74 0.00 -4.11 1.24 4.02 0.81 -5.04 117.16 110.34 2dbd n TYR 40 Ca -0.21 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.39 2dbd n TYR 40 Cb 0.63 -0.24 -0.07 0.00 -0.02 0.00 0.00 39.34 39.64 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 -2.12 3.06 0.45 -0.72 0.40 -1.02 -5.01 117.98 113.02 2dbd s PHE 41 Ca -0.09 -0.02 0.08 0.00 -0.60 0.00 0.00 56.93 56.30 2dbd s PHE 41 Cb 0.02 -1.52 0.00 0.00 0.51 0.00 0.00 43.02 42.03 2dbd s PHE 41 CO 0.14 0.51 0.45 -1.12 0.70 0.00 0.00 175.22 175.90 2dbd s SER 42 N -2.68 5.08 0.39 1.36 0.01 -1.26 -4.58 113.70 112.01 2dbd s SER 42 Ca 0.28 -0.78 0.08 0.00 1.31 0.00 0.00 55.95 56.85 2dbd s SER 42 Cb -0.11 -0.36 0.80 0.00 0.21 0.00 0.00 66.02 66.56 2dbd s SER 42 CO 0.21 -0.80 1.95 0.00 0.41 0.00 0.00 173.24 175.01 2dbd h ALA 43 N 0.85 1.55 -0.39 1.44 0.00 -2.00 -2.58 119.26 118.14 2dbd h ALA 43 Ca -0.39 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2dbd h ALA 43 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2dbd h ALA 43 CO 0.54 0.33 -0.13 0.93 0.00 0.00 0.00 179.25 180.92 2dbd h GLU 44 N 0.32 0.77 0.04 0.00 5.08 -1.99 -2.65 114.58 116.16 2dbd h GLU 44 Ca 0.07 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2dbd h GLU 44 Cb 0.26 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2dbd h GLU 44 CO 0.01 0.93 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.49 2dbd h ASP 45 N 0.58 -0.05 -0.22 1.42 3.32 -1.87 -2.11 116.42 117.49 2dbd h ASP 45 Ca 0.09 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.20 2dbd h ASP 45 Cb 0.67 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2dbd h ASP 45 CO 0.05 -0.04 0.15 0.00 -1.72 0.00 0.00 179.24 177.68 2dbd h ALA 46 N 0.90 2.13 -0.10 3.45 0.00 -1.48 -0.49 119.26 123.68 2dbd h ALA 46 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2dbd h ALA 46 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2dbd h ALA 46 CO 0.01 -0.18 -0.50 0.93 0.00 0.00 0.00 179.25 179.51 2dbd h GLU 47 N 0.07 0.25 -0.04 0.00 5.08 -1.02 -2.31 114.58 116.60 2dbd h GLU 47 Ca 0.10 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2dbd h GLU 47 Cb 0.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2dbd h GLU 47 CO -0.01 0.69 -0.26 0.82 -1.00 0.00 0.00 179.01 179.26 2dbd h ILE 48 N 0.20 1.47 0.67 3.13 2.04 -0.60 -2.14 117.51 122.28 2dbd h ILE 48 Ca 0.01 -1.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.07 2dbd h ILE 48 Cb 0.95 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 2dbd h ILE 48 CO 0.08 0.49 -0.35 0.58 0.00 0.00 0.00 178.15 178.95 2dbd h VAL 49 N -0.33 0.28 -0.09 1.67 2.07 -1.38 -2.53 116.25 115.94 2dbd h VAL 49 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2dbd h VAL 49 Cb 0.94 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2dbd h VAL 49 CO 0.05 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.71 2dbd h ALA 51 N 1.95 1.07 -2.27 0.00 0.00 -0.93 -3.44 119.26 115.64 2dbd h ALA 51 Ca 0.04 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.41 2dbd h ALA 51 Cb 0.09 0.00 0.21 0.00 0.00 0.00 0.00 17.79 18.08 2dbd h ALA 51 CO -0.00 -0.02 -0.51 0.00 0.00 0.00 0.00 179.25 178.72 2dbd h PRO 53 N -1.13 0.54 0.00 0.00 0.13 -1.89 -3.48 132.00 126.17 2dbd h PRO 53 Ca -0.44 -0.68 -0.42 0.00 -0.87 0.00 0.00 66.00 63.59 2dbd h PRO 53 Cb 1.30 0.22 -0.10 0.00 0.13 0.00 0.00 31.00 32.55 2dbd h PRO 53 CO 0.37 1.28 -0.36 0.25 -0.23 0.00 0.00 178.00 179.31 2dbd n THR 54 N -3.76 0.00 0.05 1.56 -2.24 -1.26 -5.07 114.28 103.56 2dbd n THR 54 Ca -0.11 -1.87 -0.12 0.00 -2.27 0.00 0.00 64.05 59.68 2dbd n THR 54 Cb 0.94 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.18 -0.76 -0.78 5.75 -1.96 -3.01 115.11 114.18 2dbd h GLN 55 Ca -0.23 0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.50 2dbd h GLN 55 Cb 0.95 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 2dbd h GLN 55 CO 0.37 0.27 0.65 -1.35 -2.65 0.00 0.00 178.83 176.12 2dbd h PRO 56 N -0.75 0.00 0.03 -2.39 0.11 -1.94 0.43 132.00 127.49 2dbd h PRO 56 Ca -0.02 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.87 2dbd h PRO 56 Cb 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 2dbd h PRO 56 CO 0.03 0.00 -1.05 -0.44 -0.21 0.00 0.00 178.00 176.33 2dbd h ASP 57 N 0.00 0.10 -0.16 -2.05 5.19 -1.96 -3.22 116.42 114.32 2dbd h ASP 57 Ca 0.36 -0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 2dbd h ASP 57 Cb 1.67 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.14 2dbd h ASP 57 CO -0.00 1.08 0.03 0.11 -3.12 0.00 0.00 179.24 177.34 2dbd h LYS 58 N 0.02 0.26 -0.53 3.56 1.57 -0.01 -2.23 116.57 119.21 2dbd h LYS 58 Ca -0.04 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2dbd h LYS 58 Cb 1.81 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 34.06 2dbd h LYS 58 CO 0.15 0.43 0.35 0.28 -0.57 0.00 0.00 179.45 180.09 2dbd h VAL 59 N 0.06 1.11 -0.02 0.50 2.07 -1.58 -1.07 116.25 117.32 2dbd h VAL 59 Ca 0.05 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 2dbd h VAL 59 Cb 0.29 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2dbd h VAL 59 CO 0.00 0.12 -0.50 -0.09 0.02 0.00 0.00 177.57 177.13 2dbd h ARG 60 N 0.68 0.04 -0.07 1.57 2.43 -1.51 -2.48 114.38 115.04 2dbd h ARG 60 Ca 0.20 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 59.10 2dbd h ARG 60 Cb -0.03 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2dbd h ARG 60 CO -0.05 0.53 -0.91 -0.22 -1.51 0.00 0.00 179.97 177.82 2dbd h LYS 61 N 0.03 0.73 -0.43 0.20 1.63 -0.62 -2.82 116.57 115.29 2dbd h LYS 61 Ca -0.00 -0.68 -0.05 0.00 -0.85 0.00 0.00 60.65 59.07 2dbd h LYS 61 Cb 0.90 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.68 2dbd h LYS 61 CO 0.07 1.28 0.08 0.82 -3.45 0.00 0.00 179.45 178.24 2dbd h ILE 62 N 0.45 1.24 -0.80 2.00 2.04 -1.23 -2.13 117.51 119.09 2dbd h ILE 62 Ca -0.09 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 2dbd h ILE 62 Cb 1.55 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 2dbd h ILE 62 CO 0.18 0.30 0.43 -0.07 0.00 0.00 0.00 178.15 178.99 2dbd h LEU 63 N 0.57 1.01 -1.12 1.44 3.38 -1.51 -1.53 115.31 117.55 2dbd h LEU 63 Ca 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2dbd h LEU 63 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2dbd h LEU 63 CO 0.01 0.83 0.03 -0.78 0.09 0.00 0.00 178.44 178.61 2dbd h ASP 64 N 1.11 0.61 0.50 -0.43 3.58 -1.33 -1.53 116.42 118.92 2dbd h ASP 64 Ca 0.28 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 2dbd h ASP 64 Cb 0.05 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2dbd h ASP 64 CO -0.04 0.66 -0.24 -0.07 -2.88 0.00 0.00 179.24 176.67 2dbd h LEU 65 N 0.62 -0.57 -1.57 2.28 3.38 -0.83 -2.83 115.31 115.79 2dbd h LEU 65 Ca 0.13 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.20 2dbd h LEU 65 Cb 0.35 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2dbd h LEU 65 CO 0.01 -0.16 0.50 0.58 0.09 0.00 0.00 178.44 179.46 2dbd h VAL 66 N -1.08 0.80 0.00 1.22 2.07 -1.28 0.24 116.25 118.21 2dbd h VAL 66 Ca -0.07 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2dbd h VAL 66 Cb 0.58 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2dbd h VAL 66 CO 0.11 0.08 -0.22 1.56 0.02 0.00 0.00 177.57 179.12 2dbd h GLN 67 N 0.43 0.00 0.03 1.57 4.20 -1.25 -2.81 115.11 117.27 2dbd h GLN 67 Ca 0.37 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.80 2dbd h GLN 67 Cb 0.83 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 2dbd h GLN 67 CO -0.12 0.22 -1.57 1.03 -0.67 0.00 0.00 178.83 177.72 2dbd h SER 68 N 0.00 0.09 0.28 1.46 0.87 -0.32 -3.39 113.55 112.53 2dbd h SER 68 Ca -0.00 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2dbd h SER 68 Cb 0.53 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2dbd h SER 68 CO 0.03 1.14 -0.13 0.11 -0.53 0.00 0.00 176.83 177.44 2dbd h LYS 69 N 0.02 -0.36 0.00 2.24 1.57 -0.95 -3.50 116.57 115.59 2dbd h LYS 69 Ca -0.24 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2dbd h LYS 69 Cb 1.97 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2dbd h LYS 69 CO 0.10 -0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.15 2dbd n GLY 70 N -1.19 -1.85 0.21 3.86 0.00 -1.14 -4.94 105.19 100.15 2dbd n GLY 70 Ca -0.05 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.59 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 1.27 0.01 -0.23 1.61 5.08 -1.93 -0.88 114.58 119.51 2dbd h GLU 71 Ca 0.00 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2dbd h GLU 71 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2dbd h GLU 71 CO 0.00 0.27 0.16 1.49 -1.00 0.00 0.00 179.01 179.93 2dbd h GLU 72 N 0.01 0.09 0.01 2.33 4.81 -1.95 0.06 114.58 119.93 2dbd h GLU 72 Ca -0.00 -0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 58.86 2dbd h GLU 72 Cb 0.47 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 2dbd h GLU 72 CO 0.03 0.06 -2.28 0.28 -0.73 0.00 0.00 179.01 176.37 2dbd n VAL 73 N -4.49 1.47 0.17 0.32 0.31 -0.92 -3.92 118.33 111.28 2dbd n VAL 73 Ca 0.02 -0.78 0.03 0.00 -0.01 0.00 0.00 64.34 63.60 2dbd n VAL 73 Cb 0.24 -0.82 0.38 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.06 1.04 4.52 0.87 -0.79 0.03 113.55 119.29 2dbd h SER 74 Ca -0.51 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 59.85 2dbd h SER 74 Cb 2.13 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 64.05 2dbd h SER 74 CO 0.02 0.35 -0.86 -0.08 -0.53 0.00 0.00 176.83 175.73 2dbd h GLU 75 N 0.06 0.00 0.11 2.24 4.81 -1.18 -2.96 114.58 117.65 2dbd h GLU 75 Ca 0.01 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 2dbd h GLU 75 Cb 0.55 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.94 2dbd h GLU 75 CO 0.04 0.86 -0.61 0.35 -0.73 0.00 0.00 179.01 178.92 2dbd h PHE 76 N 0.00 0.41 0.11 0.92 3.57 -1.58 -3.02 116.94 117.35 2dbd h PHE 76 Ca -0.01 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2dbd h PHE 76 Cb 1.62 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 2dbd h PHE 76 CO 0.00 1.23 -0.10 0.35 -2.23 0.00 0.00 178.31 177.57 2dbd h PHE 77 N -0.53 -0.24 -0.09 0.41 3.57 -1.11 -2.07 116.94 116.87 2dbd h PHE 77 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2dbd h PHE 77 Cb 1.48 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.31 2dbd h PHE 77 CO 0.22 -0.15 0.06 -0.07 -2.23 0.00 0.00 178.31 176.14 2dbd h LEU 78 N -0.22 0.10 -0.77 0.59 3.38 -1.67 -1.78 115.31 114.94 2dbd h LEU 78 Ca -0.00 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2dbd h LEU 78 Cb 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2dbd h LEU 78 CO -0.02 0.07 -0.07 0.22 0.09 0.00 0.00 178.44 178.74 2dbd h TYR 79 N 0.12 0.94 -0.20 1.13 5.03 -1.25 -2.66 116.97 120.07 2dbd h TYR 79 Ca 0.03 -0.16 0.02 0.00 2.58 0.00 0.00 58.73 61.20 2dbd h TYR 79 Cb -0.00 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 2dbd h TYR 79 CO -0.00 0.89 0.14 -0.07 -1.32 0.00 0.00 178.16 177.80 2dbd h LEU 80 N 0.78 0.18 -1.09 2.82 3.38 -0.78 -0.79 115.31 119.82 2dbd h LEU 80 Ca 0.14 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2dbd h LEU 80 Cb 0.57 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2dbd h LEU 80 CO 0.03 0.13 -0.46 -0.07 0.09 0.00 0.00 178.44 178.16 2dbd h LEU 81 N 0.21 0.00 -0.01 1.67 3.38 -1.46 0.34 115.31 119.45 2dbd h LEU 81 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2dbd h LEU 81 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2dbd h LEU 81 CO -0.02 0.46 -0.54 -0.61 0.09 0.00 0.00 178.44 177.82 2dbd h GLN 82 N 0.00 0.37 0.02 1.13 -0.00 -1.15 -1.72 115.11 113.76 2dbd h GLN 82 Ca -0.00 -0.39 -0.00 0.00 -0.00 0.00 0.00 58.65 58.25 2dbd h GLN 82 Cb 0.81 0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.40 2dbd h GLN 82 CO 0.06 1.07 -0.01 1.96 0.00 0.00 0.00 178.83 181.91 2dbd h GLN 83 N -0.16 -0.03 0.00 1.69 4.20 -1.38 -3.24 115.11 116.19 2dbd h GLN 83 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2dbd h GLN 83 Cb 1.25 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2dbd h GLN 83 CO 0.11 0.70 0.00 1.28 -0.67 0.00 0.00 178.83 180.25 2dbd n LEU 84 N -4.73 0.44 -0.04 1.46 4.77 0.12 -2.95 117.00 116.07 2dbd n LEU 84 Ca -0.09 0.62 0.23 0.00 -0.03 0.00 0.00 56.01 56.75 2dbd n LEU 84 Cb 0.36 -0.58 0.72 0.00 -2.33 0.00 0.00 43.42 41.59 2dbd n LEU 84 CO 0.31 -0.51 1.21 0.00 -1.33 0.00 0.00 177.39 177.07 2dbd h ALA 85 N 2.29 2.54 -0.20 -1.18 0.00 -1.33 0.16 119.26 121.54 2dbd h ALA 85 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dbd h ALA 85 Cb 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dbd h ALA 85 CO 0.00 -0.82 0.14 -0.44 0.00 0.00 0.00 179.25 178.13 2dbd h ASP 86 N 0.00 0.07 0.35 0.00 5.19 -1.75 -2.23 116.42 118.06 2dbd h ASP 86 Ca 0.30 -0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.39 2dbd h ASP 86 Cb 1.28 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 2dbd h ASP 86 CO -0.00 0.05 -1.75 0.00 -3.12 0.00 0.00 179.24 174.42 2dbd h ALA 87 N 1.89 0.48 -2.33 3.45 0.00 -0.94 -3.47 119.26 118.35 2dbd h ALA 87 Ca 0.09 -1.31 -0.48 0.00 0.00 0.00 0.00 54.91 53.21 2dbd h ALA 87 Cb 0.27 0.49 0.03 0.00 0.00 0.00 0.00 17.79 18.58 2dbd h ALA 87 CO -0.01 1.33 0.38 0.71 0.00 0.00 0.00 179.25 181.67 2dbd s TYR 88 N -2.59 3.01 -0.20 0.00 2.02 -0.84 -4.99 117.35 113.77 2dbd s TYR 88 Ca -0.12 1.56 0.10 0.00 -0.37 0.00 0.00 57.07 58.23 2dbd s TYR 88 Cb 0.07 -3.04 -0.19 0.00 -0.40 0.00 0.00 41.96 38.40 2dbd s TYR 88 CO 0.82 -0.88 -0.05 1.33 -1.57 0.00 0.00 175.55 175.19 2dbd n VAL 89 N -1.26 1.25 0.11 0.71 0.24 -1.26 -4.45 118.33 113.67 2dbd n VAL 89 Ca 0.09 -0.64 -0.03 0.00 -2.04 0.00 0.00 64.34 61.72 2dbd n VAL 89 Cb 0.53 -0.87 0.09 0.00 -1.47 0.00 0.00 33.84 32.11 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 0.03 -3.58 -1.34 5.19 -1.93 -3.43 116.42 111.36 2dbd h ASP 90 Ca -0.49 -0.02 -0.61 0.00 -0.62 0.00 0.00 57.03 55.28 2dbd h ASP 90 Cb 1.95 -0.01 -0.13 0.00 0.18 0.00 0.00 39.33 41.32 2dbd h ASP 90 CO -0.02 0.75 -0.30 -0.76 -3.12 0.00 0.00 179.24 175.78 2dbd s LEU 91 N -7.40 4.11 0.04 1.55 1.43 -1.26 -4.72 118.68 112.43 2dbd s LEU 91 Ca -0.01 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2dbd s LEU 91 Cb 0.12 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.97 2dbd s LEU 91 CO 0.78 -0.06 0.00 0.54 0.23 0.00 0.00 176.35 177.84 2dbd n ARG 92 N 4.65 0.00 0.09 1.70 1.74 -1.26 -4.74 116.66 118.84 2dbd n ARG 92 Ca -0.10 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.91 2dbd n ARG 92 Cb 0.51 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.95 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 0.08 0.31 5.56 0.13 -1.94 -3.28 132.00 132.87 2dbd h PRO 93 Ca 0.00 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2dbd h PRO 93 Cb 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 2dbd h PRO 93 CO 0.00 0.89 -0.20 2.35 -0.23 0.00 0.00 178.00 180.81 2dbd h TRP 94 N 0.04 -0.51 -0.40 1.56 7.01 -1.93 0.15 115.95 121.87 2dbd h TRP 94 Ca -0.03 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.07 2dbd h TRP 94 Cb 1.49 0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 28.72 2dbd h TRP 94 CO 0.01 -0.31 0.28 -0.07 -2.79 0.00 0.00 178.44 175.57 2dbd h LEU 95 N -0.49 0.08 0.00 0.65 3.38 -1.96 0.18 115.31 117.15 2dbd h LEU 95 Ca -0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 2dbd h LEU 95 Cb 0.41 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2dbd h LEU 95 CO 0.03 0.05 -0.99 -0.07 0.09 0.00 0.00 178.44 177.55 2dbd h LEU 96 N 0.09 0.00 0.34 1.67 3.38 -1.45 -2.71 115.31 116.63 2dbd h LEU 96 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2dbd h LEU 96 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2dbd h LEU 96 CO -0.02 0.98 -0.17 -0.33 0.09 0.00 0.00 178.44 179.00 2dbd h GLU 97 N 0.00 -0.44 -0.25 1.13 5.08 0.12 -3.28 114.58 116.94 2dbd h GLU 97 Ca -0.01 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2dbd h GLU 97 Cb 1.76 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 2dbd h GLU 97 CO 0.13 -0.30 0.17 -0.84 -1.00 0.00 0.00 179.01 177.17 2dbd h ILE 98 N -0.94 0.99 -4.52 3.13 3.07 -1.41 -3.47 117.51 114.34 2dbd h ILE 98 Ca -0.05 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.29 2dbd h ILE 98 Cb 0.35 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 37.66 2dbd h ILE 98 CO 0.08 0.04 -0.25 0.61 -1.05 0.00 0.00 178.15 177.57 2dbd n GLY 99 N -1.53 -1.06 0.19 0.16 0.00 -1.02 -4.95 105.19 96.97 2dbd n GLY 99 Ca 0.02 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 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 1.08 -0.37 -2.45 1.61 3.57 -1.91 -3.40 116.94 115.06 2dbd h PHE 100 Ca 0.00 -0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.94 2dbd h PHE 100 Cb 0.74 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 2dbd h PHE 100 CO 0.08 -0.22 1.22 -1.12 -2.23 0.00 0.00 178.31 176.04 2dbd s SER 101 N -4.89 6.30 -0.45 0.41 0.01 -1.26 -4.87 113.70 108.95 2dbd s SER 101 Ca -0.15 2.18 0.02 0.00 1.31 0.00 0.00 55.95 59.32 2dbd s SER 101 Cb 0.06 -2.53 0.57 0.00 0.21 0.00 0.00 66.02 64.33 2dbd s SER 101 CO 0.65 -1.24 1.88 -1.20 0.41 0.00 0.00 173.24 173.74 2dbd n SER 102 N 8.42 4.51 -3.64 2.44 7.64 -1.26 -4.87 113.62 126.86 2dbd n SER 102 Ca 0.21 -3.51 -0.07 0.00 1.01 0.00 0.00 58.87 56.52 2dbd n SER 102 Cb 0.43 -0.85 -0.07 0.00 -1.01 0.00 0.00 64.21 62.71 2dbd n SER 102 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbd s GLY 103 N -1.18 -0.53 0.42 0.23 0.00 -1.26 -5.16 107.32 99.84 2dbd s GLY 103 Ca 0.53 2.53 -0.24 0.00 0.00 0.00 0.00 44.72 47.55 2dbd s GLY 103 CO 0.08 2.41 1.13 2.56 0.00 0.00 0.00 173.10 179.27 2dbd s PRO 104 N 1.53 4.00 -0.32 2.90 0.04 -1.26 -4.97 135.00 136.92 2dbd s PRO 104 Ca -0.09 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.73 2dbd s PRO 104 Cb -0.05 -2.54 0.50 0.00 0.04 0.00 0.00 34.50 32.45 2dbd s PRO 104 CO -0.18 -0.33 1.48 -1.13 0.04 0.00 0.00 177.00 176.88 2dbd n SER 105 N -0.15 3.13 -3.73 6.66 3.41 -1.26 -4.96 113.62 116.72 2dbd n SER 105 Ca 0.05 -3.79 -0.12 0.00 -0.26 0.00 0.00 58.87 54.75 2dbd n SER 105 Cb 0.48 -0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 63.69 2dbd n SER 105 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dbd s SER 106 N -2.60 -0.42 0.00 4.04 0.15 -1.26 -5.35 113.70 108.25 2dbd s SER 106 Ca 0.47 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2dbd s SER 106 Cb 0.42 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.46 2dbd s SER 106 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.90