#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 3.16 -0.01 1.61 2.88 -1.26 -4.94 113.62 115.06 2dbd n SER 2 Ca 0.00 -0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.49 2dbd n SER 2 Cb 0.00 -0.12 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 2dbd n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dbd n SER 3 N -2.77 1.01 -0.64 -3.46 7.64 -1.26 -5.14 113.62 109.00 2dbd n SER 3 Ca -0.12 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2dbd n SER 3 Cb 0.63 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 2.52 -1.25 1.40 0.23 0.00 -1.26 -5.03 105.19 101.80 2dbd n GLY 4 Ca -0.04 -0.70 0.18 0.00 0.00 0.00 0.00 46.02 45.46 2dbd n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbd n SER 5 N 0.00 -8.28 -4.92 1.61 3.41 -1.26 -4.87 113.62 99.31 2dbd n SER 5 Ca 0.00 0.81 -0.27 0.00 -0.26 0.00 0.00 58.87 59.15 2dbd n SER 5 Cb 0.00 -4.43 -0.03 0.00 -0.26 0.00 0.00 64.21 59.49 2dbd n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dbd s SER 6 N -6.96 6.39 0.00 4.04 0.15 -1.26 -4.99 113.70 111.07 2dbd s SER 6 Ca 0.00 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2dbd s SER 6 Cb 0.00 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2dbd s SER 6 CO 0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2dbd n GLY 7 N -0.93 2.14 3.47 9.45 0.00 -1.26 -5.03 105.19 113.02 2dbd n GLY 7 Ca -0.04 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 3.17 0.62 1.61 4.02 -1.26 -4.94 115.29 118.52 2dbd s HIS 8 Ca 0.00 -0.47 0.29 0.00 1.02 0.00 0.00 55.06 55.90 2dbd s HIS 8 Cb 0.00 -2.94 1.56 0.00 -1.02 0.00 0.00 32.58 30.18 2dbd s HIS 8 CO 0.00 -0.73 1.92 -1.35 1.02 0.00 0.00 174.74 175.61 2dbd h PRO 9 N 8.74 0.00 0.11 8.40 0.11 -1.98 0.66 132.00 148.04 2dbd h PRO 9 Ca -0.27 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.51 2dbd h PRO 9 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2dbd h PRO 9 CO 0.81 0.00 -1.78 0.45 -0.21 0.00 0.00 178.00 177.27 2dbd h HIS 10 N 0.00 0.43 -0.02 0.65 3.86 -1.94 -3.30 115.15 114.83 2dbd h HIS 10 Ca 0.10 -0.31 -0.23 0.00 -1.16 0.00 0.00 60.37 58.77 2dbd h HIS 10 Cb 0.87 -0.02 0.02 0.00 1.06 0.00 0.00 27.41 29.35 2dbd h HIS 10 CO 0.00 1.70 -0.88 0.82 0.86 0.00 0.00 177.93 180.43 2dbd h ILE 11 N -0.15 1.32 -0.83 2.45 2.04 -1.59 -3.26 117.51 117.49 2dbd h ILE 11 Ca -0.39 -2.16 0.05 0.00 1.00 0.00 0.00 64.86 63.36 2dbd h ILE 11 Cb 1.89 2.40 -0.05 0.00 -0.74 0.00 0.00 36.82 40.32 2dbd h ILE 11 CO 0.04 0.66 0.55 1.56 0.00 0.00 0.00 178.15 180.96 2dbd h GLN 12 N 0.26 0.95 -0.10 2.37 1.08 0.08 -0.74 115.11 119.00 2dbd h GLN 12 Ca -0.11 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 2dbd h GLN 12 Cb 1.55 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.76 2dbd h GLN 12 CO 0.17 0.63 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.61 2dbd h LEU 13 N 0.98 0.13 0.25 1.46 3.38 -1.64 0.82 115.31 120.70 2dbd h LEU 13 Ca 0.34 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.96 2dbd h LEU 13 Cb 0.12 -0.03 0.04 0.00 0.09 0.00 0.00 40.66 40.88 2dbd h LEU 13 CO -0.11 0.16 -1.51 -0.07 0.09 0.00 0.00 178.44 177.00 2dbd h LEU 14 N 0.15 0.84 -0.90 1.67 3.38 -1.24 -1.32 115.31 117.88 2dbd h LEU 14 Ca 0.04 -0.92 -0.11 0.00 0.09 0.00 0.00 57.88 56.98 2dbd h LEU 14 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2dbd h LEU 14 CO 0.00 1.72 -0.38 0.11 0.09 0.00 0.00 178.44 179.98 2dbd h LYS 15 N 0.15 0.33 0.11 1.13 1.57 -0.86 -0.52 116.57 118.48 2dbd h LYS 15 Ca -0.26 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 58.18 2dbd h LYS 15 Cb 2.17 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.49 2dbd h LYS 15 CO 0.27 0.67 -0.84 1.03 -0.57 0.00 0.00 179.45 180.01 2dbd h SER 16 N 0.28 0.36 -1.46 0.86 0.87 -0.94 -3.35 113.55 110.17 2dbd h SER 16 Ca 0.03 -0.92 -0.70 0.00 -1.23 0.00 0.00 61.79 58.97 2dbd h SER 16 Cb 0.81 -0.12 -0.31 0.00 -0.44 0.00 0.00 62.40 62.34 2dbd h SER 16 CO 0.06 1.39 0.67 0.59 -0.53 0.00 0.00 176.83 179.01 2dbd n ASN 17 N -4.16 7.13 -0.06 6.23 3.02 -0.50 -4.64 115.26 122.28 2dbd n ASN 17 Ca -0.16 -3.80 -0.13 0.00 -0.03 0.00 0.00 54.58 50.46 2dbd n ASN 17 Cb 0.79 -0.92 -0.12 0.00 -0.61 0.00 0.00 39.78 38.92 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 2.51 -0.01 -0.00 3.52 2.43 -1.23 -2.64 114.38 118.96 2dbd h ARG 18 Ca 0.54 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.56 2dbd h ARG 18 Cb 0.54 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2dbd h ARG 18 CO 1.39 0.87 -0.73 0.93 -1.51 0.00 0.00 179.97 180.92 2dbd h GLU 19 N -0.97 0.02 -0.10 0.20 4.39 -1.85 -2.91 114.58 113.37 2dbd h GLU 19 Ca -0.00 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 2dbd h GLU 19 Cb 0.87 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2dbd h GLU 19 CO 0.00 0.74 -0.64 1.25 -1.16 0.00 0.00 179.01 179.20 2dbd h LEU 20 N 0.01 0.42 -0.68 1.33 5.85 -1.87 -3.09 115.31 117.28 2dbd h LEU 20 Ca -0.01 -0.25 -0.14 0.00 0.84 0.00 0.00 57.88 58.32 2dbd h LEU 20 Cb 1.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2dbd h LEU 20 CO 0.10 0.95 -0.65 -0.07 -0.34 0.00 0.00 178.44 178.43 2dbd h LEU 21 N 0.26 0.06 -1.18 2.25 3.38 -1.43 -2.37 115.31 116.28 2dbd h LEU 21 Ca -0.01 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2dbd h LEU 21 Cb 1.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2dbd h LEU 21 CO 0.11 0.69 -0.41 0.58 0.09 0.00 0.00 178.44 179.50 2dbd h VAL 22 N 0.04 1.30 0.00 1.22 2.07 -1.43 0.28 116.25 119.72 2dbd h VAL 22 Ca -0.01 -1.41 -0.18 0.00 0.82 0.00 0.00 66.70 65.92 2dbd h VAL 22 Cb 1.15 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 2dbd h VAL 22 CO 0.09 0.40 -1.20 0.74 0.02 0.00 0.00 177.57 177.62 2dbd h THR 23 N 0.00 0.84 0.02 2.57 2.02 -1.47 -3.38 112.91 113.52 2dbd h THR 23 Ca -0.00 -2.41 -0.14 0.00 0.77 0.00 0.00 66.41 64.62 2dbd h THR 23 Cb 0.73 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2dbd h THR 23 CO 0.05 0.48 -0.75 0.45 0.37 0.00 0.00 175.52 176.12 2dbd h HIS 24 N 0.00 0.08 -3.15 3.16 -0.00 -1.22 -3.46 115.15 110.56 2dbd h HIS 24 Ca -0.13 -0.06 -0.53 0.00 -0.00 0.00 0.00 60.37 59.66 2dbd h HIS 24 Cb 1.65 -0.00 0.02 0.00 -0.00 0.00 0.00 27.41 29.08 2dbd h HIS 24 CO 0.00 1.29 0.68 0.42 -0.00 0.00 0.00 177.93 180.32 2dbd s ILE 25 N -2.32 3.40 -0.16 2.45 1.01 0.98 -4.64 121.20 121.92 2dbd s ILE 25 Ca -0.23 1.04 -0.11 0.00 0.00 0.00 0.00 60.65 61.35 2dbd s ILE 25 Cb 0.02 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.75 2dbd s ILE 25 CO 0.66 0.10 -0.25 -1.14 0.00 0.00 0.00 174.94 174.31 2dbd n ARG 26 N 3.55 0.40 -2.98 2.79 0.63 -1.26 -4.80 116.66 114.98 2dbd n ARG 26 Ca 0.09 0.17 -0.40 0.00 -0.92 0.00 0.00 57.85 56.79 2dbd n ARG 26 Cb 0.43 -1.18 -0.04 0.00 0.45 0.00 0.00 32.46 32.11 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 -6.42 7.03 -0.09 6.15 -0.87 -1.26 -4.93 114.94 114.55 2dbd s ASN 27 Ca -0.25 1.25 0.04 0.00 -1.57 0.00 0.00 52.86 52.33 2dbd s ASN 27 Cb 0.07 -2.44 -0.08 0.00 -0.02 0.00 0.00 41.25 38.78 2dbd s ASN 27 CO 0.33 -0.17 -0.02 0.35 -2.57 0.00 0.00 177.10 175.02 2dbd n THR 28 N 3.91 0.56 -0.05 1.60 -2.24 -1.26 -4.59 114.28 112.20 2dbd n THR 28 Ca 0.00 -0.28 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 2dbd n THR 28 Cb 0.51 -0.82 0.40 0.00 -2.10 0.00 0.00 70.33 68.32 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 0.61 -0.50 -0.78 -0.00 -1.99 -2.19 115.11 110.26 2dbd h GLN 29 Ca -0.22 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2dbd h GLN 29 Cb 1.42 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 28.74 2dbd h GLN 29 CO -0.01 0.40 0.30 0.00 0.00 0.00 0.00 178.83 179.52 2dbd h LEU 31 N 0.66 0.72 -1.08 0.00 3.38 -1.66 -2.52 115.31 114.82 2dbd h LEU 31 Ca 0.18 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2dbd h LEU 31 Cb -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2dbd h LEU 31 CO -0.03 0.74 -0.23 0.58 0.09 0.00 0.00 178.44 179.58 2dbd h VAL 32 N 0.67 1.25 0.18 1.22 2.07 -1.18 -1.90 116.25 118.57 2dbd h VAL 32 Ca 0.16 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 2dbd h VAL 32 Cb 0.27 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2dbd h VAL 32 CO -0.01 0.36 -0.09 -0.78 0.02 0.00 0.00 177.57 177.08 2dbd h ASP 33 N 0.34 -0.21 -0.47 0.57 1.82 -0.57 -0.02 116.42 117.88 2dbd h ASP 33 Ca 0.05 -0.10 -0.06 0.00 -0.39 0.00 0.00 57.03 56.54 2dbd h ASP 33 Cb 0.60 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 2dbd h ASP 33 CO 0.04 -0.03 0.09 0.78 -1.61 0.00 0.00 179.24 178.51 2dbd h ASN 34 N -0.37 0.78 0.24 2.28 2.35 -1.40 -0.14 115.58 119.32 2dbd h ASN 34 Ca -0.03 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.49 2dbd h ASN 34 Cb 0.29 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2dbd h ASN 34 CO 0.04 0.79 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.20 2dbd h LEU 35 N 0.79 0.15 0.22 1.61 3.38 -1.18 -2.30 115.31 117.99 2dbd h LEU 35 Ca 0.17 -0.05 -0.33 0.00 0.09 0.00 0.00 57.88 57.76 2dbd h LEU 35 Cb 0.34 -0.04 0.04 0.00 0.09 0.00 0.00 40.66 41.09 2dbd h LEU 35 CO 0.00 0.49 -1.43 -0.07 0.09 0.00 0.00 178.44 177.53 2dbd h LEU 36 N 0.13 0.83 -1.35 1.67 3.38 -0.47 0.62 115.31 120.13 2dbd h LEU 36 Ca 0.02 -0.86 -0.03 0.00 0.09 0.00 0.00 57.88 57.09 2dbd h LEU 36 Cb 0.67 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2dbd h LEU 36 CO 0.05 1.67 0.09 0.50 0.09 0.00 0.00 178.44 180.84 2dbd h LYS 37 N 0.17 0.53 -0.00 1.13 3.11 -0.92 -0.96 116.57 119.63 2dbd h LYS 37 Ca -0.24 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 2dbd h LYS 37 Cb 2.12 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 33.26 2dbd h LYS 37 CO 0.27 0.49 0.00 0.09 -2.81 0.00 0.00 179.45 177.49 2dbd n ASN 38 N -4.34 0.39 -2.41 4.20 3.02 -0.88 -4.90 115.26 110.34 2dbd n ASN 38 Ca 0.02 -1.14 -0.16 0.00 -0.03 0.00 0.00 54.58 53.28 2dbd n ASN 38 Cb 0.18 -0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.40 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 -0.69 -4.85 -0.12 6.41 -0.08 -0.36 -4.94 116.55 111.91 2dbd n ASP 39 Ca 0.23 -0.30 -0.22 0.00 -1.51 0.00 0.00 54.79 52.98 2dbd n ASP 39 Cb 0.17 -3.54 -0.11 0.00 2.34 0.00 0.00 41.12 39.98 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 -4.16 0.14 -2.76 -0.67 4.02 0.16 -5.00 117.16 108.89 2dbd n TYR 40 Ca -0.03 0.04 -0.22 0.00 -0.01 0.00 0.00 57.90 57.69 2dbd n TYR 40 Cb 0.56 -1.02 0.03 0.00 -0.02 0.00 0.00 39.34 38.89 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 -2.51 2.98 0.41 -0.72 0.40 -0.91 -5.01 117.98 112.62 2dbd s PHE 41 Ca -0.35 0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 2dbd s PHE 41 Cb 0.11 -2.60 -0.07 0.00 0.51 0.00 0.00 43.02 40.96 2dbd s PHE 41 CO 0.58 -0.70 0.01 -1.12 0.70 0.00 0.00 175.22 174.69 2dbd s SER 42 N -4.35 3.84 0.37 1.36 0.01 -1.26 -4.81 113.70 108.85 2dbd s SER 42 Ca 0.54 -1.39 0.11 0.00 1.31 0.00 0.00 55.95 56.52 2dbd s SER 42 Cb -0.10 -0.32 0.73 0.00 0.21 0.00 0.00 66.02 66.54 2dbd s SER 42 CO 0.38 -0.49 1.85 0.00 0.41 0.00 0.00 173.24 175.40 2dbd h ALA 43 N 1.75 1.42 -0.19 1.44 0.00 -2.00 -2.25 119.26 119.44 2dbd h ALA 43 Ca -0.44 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 2dbd h ALA 43 Cb 1.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dbd h ALA 43 CO 0.80 0.42 -0.24 0.93 0.00 0.00 0.00 179.25 181.16 2dbd h GLU 44 N 0.10 0.49 -0.05 0.00 5.08 -1.99 -2.40 114.58 115.82 2dbd h GLU 44 Ca 0.02 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2dbd h GLU 44 Cb 0.55 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2dbd h GLU 44 CO 0.04 0.87 0.02 -0.44 -1.00 0.00 0.00 179.01 178.50 2dbd h ASP 45 N 0.15 0.06 -0.01 1.42 3.32 -1.93 -2.49 116.42 116.95 2dbd h ASP 45 Ca 0.02 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2dbd h ASP 45 Cb 0.80 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2dbd h ASP 45 CO 0.06 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 2dbd h ALA 46 N 0.91 1.99 -0.21 3.45 0.00 -1.46 -1.28 119.26 122.66 2dbd h ALA 46 Ca 0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2dbd h ALA 46 Cb 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2dbd h ALA 46 CO -0.00 0.01 -0.24 1.49 0.00 0.00 0.00 179.25 180.50 2dbd h GLU 47 N 0.01 0.39 -0.10 0.00 4.81 -0.98 -2.68 114.58 116.03 2dbd h GLU 47 Ca 0.00 -0.14 -0.23 0.00 -0.13 0.00 0.00 59.36 58.87 2dbd h GLU 47 Cb 0.00 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.36 2dbd h GLU 47 CO -0.00 0.61 -0.84 0.82 -0.73 0.00 0.00 179.01 178.87 2dbd h ILE 48 N 0.35 1.29 0.69 2.32 2.04 -0.99 -2.37 117.51 120.84 2dbd h ILE 48 Ca 0.05 -2.07 -0.03 0.00 1.00 0.00 0.00 64.86 63.81 2dbd h ILE 48 Cb 0.62 2.10 0.01 0.00 -0.74 0.00 0.00 36.82 38.81 2dbd h ILE 48 CO 0.04 0.65 -0.33 0.58 0.00 0.00 0.00 178.15 179.09 2dbd h VAL 49 N 0.47 0.00 -0.14 1.67 2.07 -1.30 -2.79 116.25 116.22 2dbd h VAL 49 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 2dbd h VAL 49 Cb 1.47 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2dbd h VAL 49 CO 0.17 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.87 2dbd h ALA 51 N 1.91 1.56 -2.81 0.00 0.00 -1.14 -3.43 119.26 115.34 2dbd h ALA 51 Ca 0.07 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 2dbd h ALA 51 Cb 0.29 0.01 0.16 0.00 0.00 0.00 0.00 17.79 18.25 2dbd h ALA 51 CO -0.00 -0.22 0.18 0.00 0.00 0.00 0.00 179.25 179.21 2dbd h PRO 53 N 0.67 0.50 -5.18 0.00 0.13 -1.89 -3.47 132.00 122.76 2dbd h PRO 53 Ca -0.48 -0.48 -0.65 0.00 -0.87 0.00 0.00 66.00 63.51 2dbd h PRO 53 Cb 1.36 0.13 -0.13 0.00 0.13 0.00 0.00 31.00 32.48 2dbd h PRO 53 CO 0.52 1.12 -0.52 0.95 -0.23 0.00 0.00 178.00 179.85 2dbd s THR 54 N -3.42 1.06 -0.09 1.56 -4.23 -1.26 -5.08 115.64 104.18 2dbd s THR 54 Ca -0.07 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.24 2dbd s THR 54 Cb 0.09 -2.22 -0.17 0.00 1.34 0.00 0.00 72.50 71.55 2dbd s THR 54 CO 0.87 0.00 0.71 -0.61 -0.54 0.00 0.00 174.62 175.05 2dbd h GLN 55 N 1.45 -0.09 -0.75 3.99 5.75 -1.97 -3.26 115.11 120.24 2dbd h GLN 55 Ca -0.42 0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.30 2dbd h GLN 55 Cb 1.31 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.85 2dbd h GLN 55 CO 0.71 0.46 0.64 -1.35 -2.65 0.00 0.00 178.83 176.64 2dbd h PRO 56 N -0.91 0.00 -0.05 -2.39 0.11 -1.92 0.37 132.00 127.22 2dbd h PRO 56 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 2dbd h PRO 56 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2dbd h PRO 56 CO 0.02 0.00 -0.71 -0.44 -0.21 0.00 0.00 178.00 176.66 2dbd h ASP 57 N 0.00 0.32 -0.13 -2.05 5.19 -1.95 -3.12 116.42 114.68 2dbd h ASP 57 Ca 0.36 -0.21 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 2dbd h ASP 57 Cb 1.63 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 41.03 2dbd h ASP 57 CO -0.00 0.93 -0.12 0.11 -3.12 0.00 0.00 179.24 177.04 2dbd h LYS 58 N 0.18 0.47 -0.54 3.56 1.57 -0.29 -2.60 116.57 118.93 2dbd h LYS 58 Ca -0.02 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2dbd h LYS 58 Cb 1.27 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 2dbd h LYS 58 CO 0.11 0.59 0.18 0.28 -0.57 0.00 0.00 179.45 180.04 2dbd h VAL 59 N 0.44 1.21 -0.02 0.50 2.07 -1.46 -1.19 116.25 117.80 2dbd h VAL 59 Ca 0.08 -0.71 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 2dbd h VAL 59 Cb 0.47 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2dbd h VAL 59 CO 0.03 0.27 -0.64 -0.09 0.02 0.00 0.00 177.57 177.16 2dbd h ARG 60 N 0.78 0.08 -0.13 1.57 2.43 -1.52 -2.67 114.38 114.93 2dbd h ARG 60 Ca 0.18 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 2dbd h ARG 60 Cb 0.22 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2dbd h ARG 60 CO -0.01 0.70 -0.61 -0.22 -1.51 0.00 0.00 179.97 178.32 2dbd h LYS 61 N 0.06 0.64 -0.02 0.20 1.63 -1.11 -2.50 116.57 115.47 2dbd h LYS 61 Ca -0.01 -0.52 -0.07 0.00 -0.85 0.00 0.00 60.65 59.21 2dbd h LYS 61 Cb 1.14 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2dbd h LYS 61 CO 0.09 1.13 -0.32 0.82 -3.45 0.00 0.00 179.45 177.73 2dbd h ILE 62 N 0.30 1.24 -0.10 2.00 2.04 -1.24 -2.26 117.51 119.50 2dbd h ILE 62 Ca -0.04 -1.12 -0.14 0.00 1.00 0.00 0.00 64.86 64.56 2dbd h ILE 62 Cb 1.24 1.58 0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2dbd h ILE 62 CO 0.13 0.32 -0.49 -0.07 0.00 0.00 0.00 178.15 178.04 2dbd h LEU 63 N 0.03 0.60 -1.06 1.44 3.38 -1.45 -2.08 115.31 116.17 2dbd h LEU 63 Ca 0.00 -0.64 -0.04 0.00 0.09 0.00 0.00 57.88 57.29 2dbd h LEU 63 Cb 0.58 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2dbd h LEU 63 CO 0.04 1.15 0.21 -0.78 0.09 0.00 0.00 178.44 179.15 2dbd h ASP 64 N 0.09 0.81 0.28 -0.43 3.58 -1.29 0.46 116.42 119.92 2dbd h ASP 64 Ca -0.03 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 2dbd h ASP 64 Cb 1.13 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2dbd h ASP 64 CO 0.10 0.74 -0.14 -0.07 -2.88 0.00 0.00 179.24 177.00 2dbd h LEU 65 N 0.86 -0.32 -1.84 2.28 3.38 -1.43 -0.76 115.31 117.48 2dbd h LEU 65 Ca 0.20 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2dbd h LEU 65 Cb 0.21 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2dbd h LEU 65 CO -0.01 0.13 0.14 0.58 0.09 0.00 0.00 178.44 179.37 2dbd h VAL 66 N -0.89 1.02 -0.06 1.22 2.07 -1.33 -1.33 116.25 116.95 2dbd h VAL 66 Ca -0.04 -0.07 -0.25 0.00 0.82 0.00 0.00 66.70 67.16 2dbd h VAL 66 Cb 0.51 0.79 0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2dbd h VAL 66 CO 0.06 0.04 -0.94 1.56 0.02 0.00 0.00 177.57 178.32 2dbd h GLN 67 N 0.21 0.72 -0.25 1.57 4.20 -0.90 -3.19 115.11 117.47 2dbd h GLN 67 Ca 0.08 -0.69 -0.08 0.00 0.06 0.00 0.00 58.65 58.02 2dbd h GLN 67 Cb 0.06 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2dbd h GLN 67 CO -0.02 1.28 -0.19 0.77 -0.67 0.00 0.00 178.83 180.01 2dbd h SER 68 N 0.44 0.43 0.00 1.46 0.02 -0.40 -3.32 113.55 112.18 2dbd h SER 68 Ca -0.10 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2dbd h SER 68 Cb 1.58 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2dbd h SER 68 CO 0.19 0.64 0.00 0.29 -1.14 0.00 0.00 176.83 176.80 2dbd n LYS 69 N -4.17 0.00 -3.75 3.45 5.02 -0.57 -5.05 118.16 113.09 2dbd n LYS 69 Ca -0.00 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2dbd n LYS 69 Cb 0.36 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.63 -0.79 0.15 0.72 0.00 -1.21 -4.96 105.19 98.46 2dbd n GLY 70 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.95 1.61 5.08 -1.91 -1.02 114.58 117.40 2dbd h GLU 71 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2dbd h GLU 71 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2dbd h GLU 71 CO 0.00 0.56 0.60 1.49 -1.00 0.00 0.00 179.01 180.66 2dbd h GLU 72 N 0.00 1.01 0.01 2.33 4.57 -1.94 -0.54 114.58 120.01 2dbd h GLU 72 Ca -0.01 -0.06 -0.33 0.00 -1.18 0.00 0.00 59.36 57.78 2dbd h GLU 72 Cb 1.15 -0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 29.45 2dbd h GLU 72 CO 0.07 0.67 -2.05 0.28 -1.18 0.00 0.00 179.01 176.81 2dbd n VAL 73 N -4.58 1.52 -0.29 0.32 0.31 -1.21 -3.94 118.33 110.46 2dbd n VAL 73 Ca 0.15 -0.81 -0.02 0.00 -0.01 0.00 0.00 64.34 63.66 2dbd n VAL 73 Cb 0.23 -0.83 0.16 0.00 -0.91 0.00 0.00 33.84 32.49 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 1.01 -0.17 4.52 0.87 -0.93 -0.49 113.55 118.36 2dbd h SER 74 Ca -0.42 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.04 2dbd h SER 74 Cb 2.11 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2dbd h SER 74 CO 0.05 0.77 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.95 2dbd h GLU 75 N 1.17 0.37 -0.39 2.24 4.81 -1.28 -2.32 114.58 119.18 2dbd h GLU 75 Ca 0.31 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2dbd h GLU 75 Cb -0.06 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2dbd h GLU 75 CO -0.06 0.69 0.25 0.35 -0.73 0.00 0.00 179.01 179.50 2dbd h PHE 76 N 0.05 0.51 -0.67 0.92 3.57 -1.62 0.14 116.94 119.84 2dbd h PHE 76 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2dbd h PHE 76 Cb 0.58 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2dbd h PHE 76 CO 0.07 0.35 0.43 0.35 -2.23 0.00 0.00 178.31 177.28 2dbd h PHE 77 N 0.52 0.86 0.00 0.41 3.57 -1.10 -1.83 116.94 119.38 2dbd h PHE 77 Ca 0.14 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 2dbd h PHE 77 Cb -0.02 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2dbd h PHE 77 CO -0.04 0.55 -0.85 -0.07 -2.23 0.00 0.00 178.31 175.67 2dbd h LEU 78 N 0.92 0.12 -0.78 0.59 3.38 -0.89 -3.23 115.31 115.41 2dbd h LEU 78 Ca 0.25 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2dbd h LEU 78 Cb -0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2dbd h LEU 78 CO -0.05 0.91 0.05 0.22 0.09 0.00 0.00 178.44 179.66 2dbd h TYR 79 N 0.05 1.03 -0.29 1.13 5.03 0.05 -2.65 116.97 121.33 2dbd h TYR 79 Ca -0.03 -0.15 -0.03 0.00 2.58 0.00 0.00 58.73 61.10 2dbd h TYR 79 Cb 1.48 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 39.47 2dbd h TYR 79 CO 0.01 0.90 0.04 -0.07 -1.32 0.00 0.00 178.16 177.73 2dbd h LEU 80 N 0.90 0.39 -1.90 2.82 3.38 -1.41 -1.91 115.31 117.59 2dbd h LEU 80 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dbd h LEU 80 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2dbd h LEU 80 CO 0.02 0.42 0.07 -0.07 0.09 0.00 0.00 178.44 178.97 2dbd h LEU 81 N 0.42 0.12 0.24 1.67 3.38 -1.51 0.28 115.31 119.90 2dbd h LEU 81 Ca 0.10 -0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.75 2dbd h LEU 81 Cb 0.21 -0.03 0.04 0.00 0.09 0.00 0.00 40.66 40.97 2dbd h LEU 81 CO 0.00 0.09 -1.38 1.56 0.09 0.00 0.00 178.44 178.79 2dbd h GLN 82 N 0.14 0.51 -0.18 1.13 4.20 -1.39 -2.39 115.11 117.13 2dbd h GLN 82 Ca 0.04 -0.86 -0.06 0.00 0.06 0.00 0.00 58.65 57.83 2dbd h GLN 82 Cb -0.01 0.32 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2dbd h GLN 82 CO -0.01 1.41 -0.12 1.96 -0.67 0.00 0.00 178.83 181.40 2dbd h GLN 83 N 0.06 0.39 0.00 1.46 1.08 -1.08 -2.99 115.11 114.03 2dbd h GLN 83 Ca -0.24 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2dbd h GLN 83 Cb 2.09 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.52 2dbd h GLN 83 CO 0.26 0.73 0.00 -0.07 -0.95 0.00 0.00 178.83 178.79 2dbd h LEU 84 N 0.06 0.00 -1.93 1.46 3.38 -0.59 -3.10 115.31 114.60 2dbd h LEU 84 Ca 0.03 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.14 2dbd h LEU 84 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2dbd h LEU 84 CO 0.03 0.00 0.50 0.00 0.09 0.00 0.00 178.44 179.06 2dbd h ALA 85 N 2.01 2.20 -0.06 1.53 0.00 -1.26 -0.44 119.26 123.25 2dbd h ALA 85 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2dbd h ALA 85 Cb 0.58 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2dbd h ALA 85 CO 0.00 -0.74 -0.05 -0.44 0.00 0.00 0.00 179.25 178.02 2dbd h ASP 86 N 0.00 -0.15 0.49 0.00 5.19 -1.70 -3.09 116.42 117.17 2dbd h ASP 86 Ca 0.22 0.03 -0.30 0.00 -0.62 0.00 0.00 57.03 56.37 2dbd h ASP 86 Cb 1.22 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2dbd h ASP 86 CO -0.00 -0.07 -1.42 0.00 -3.12 0.00 0.00 179.24 174.63 2dbd h ALA 87 N 0.99 0.15 -3.05 3.45 0.00 -1.46 -3.46 119.26 115.87 2dbd h ALA 87 Ca 0.04 -1.00 -0.30 0.00 0.00 0.00 0.00 54.91 53.66 2dbd h ALA 87 Cb 0.12 0.17 0.17 0.00 0.00 0.00 0.00 17.79 18.24 2dbd h ALA 87 CO -0.09 1.02 -0.08 0.66 0.00 0.00 0.00 179.25 180.76 2dbd n TYR 88 N -3.52 -3.51 0.00 0.00 4.02 -0.30 -5.02 117.16 108.83 2dbd n TYR 88 Ca -0.14 -0.69 0.00 0.00 -0.01 0.00 0.00 57.90 57.07 2dbd n TYR 88 Cb 1.04 -0.97 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 2dbd n TYR 88 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2dbd n VAL 89 N -5.04 0.00 0.19 -0.72 0.24 -1.26 -4.87 118.33 106.87 2dbd n VAL 89 Ca 0.11 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.53 2dbd n VAL 89 Cb 0.47 -0.25 0.66 0.00 -1.47 0.00 0.00 33.84 33.25 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 0.00 -3.50 -1.34 3.32 -1.96 -3.39 116.42 109.55 2dbd h ASP 90 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 2dbd h ASP 90 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 2dbd h ASP 90 CO 0.00 0.00 -0.57 -0.76 -1.72 0.00 0.00 179.24 176.19 2dbd s LEU 91 N -8.96 3.74 0.00 1.55 1.43 -1.26 -4.78 118.68 110.40 2dbd s LEU 91 Ca -0.05 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2dbd s LEU 91 Cb 0.18 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2dbd s LEU 91 CO 0.68 0.08 0.00 0.54 0.23 0.00 0.00 176.35 177.88 2dbd n ARG 92 N 4.20 0.00 0.21 1.70 1.74 -1.26 -4.80 116.66 118.44 2dbd n ARG 92 Ca -0.16 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.99 2dbd n ARG 92 Cb 0.52 0.00 0.44 0.00 -1.02 0.00 0.00 32.46 32.40 2dbd n ARG 92 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2dbd h PRO 93 N 0.00 0.00 -0.36 5.56 0.13 -1.91 -2.94 132.00 132.48 2dbd h PRO 93 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2dbd h PRO 93 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dbd h PRO 93 CO 0.00 0.30 -0.24 2.35 -0.23 0.00 0.00 178.00 180.19 2dbd h TRP 94 N 0.00 0.82 -0.16 1.56 7.01 -1.93 -2.52 115.95 120.74 2dbd h TRP 94 Ca -0.00 -0.19 -0.06 0.00 2.11 0.00 0.00 58.89 60.75 2dbd h TRP 94 Cb 0.69 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.55 2dbd h TRP 94 CO 0.00 0.89 -0.13 -0.07 -2.79 0.00 0.00 178.44 176.34 2dbd h LEU 95 N 0.63 0.40 -1.92 0.65 3.38 -1.91 -2.21 115.31 114.33 2dbd h LEU 95 Ca 0.09 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.60 2dbd h LEU 95 Cb 0.74 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2dbd h LEU 95 CO 0.06 0.78 0.07 -0.07 0.09 0.00 0.00 178.44 179.37 2dbd h LEU 96 N 0.03 0.10 0.23 1.67 3.38 -1.49 0.21 115.31 119.44 2dbd h LEU 96 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dbd h LEU 96 Cb 0.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2dbd h LEU 96 CO 0.03 0.07 -0.11 -0.33 0.09 0.00 0.00 178.44 178.19 2dbd h GLU 97 N 0.11 -0.30 -0.28 1.13 5.08 -1.33 -3.29 114.58 115.71 2dbd h GLU 97 Ca 0.04 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2dbd h GLU 97 Cb 0.03 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2dbd h GLU 97 CO -0.01 0.02 0.10 -0.84 -1.00 0.00 0.00 179.01 177.28 2dbd h ILE 98 N -0.98 1.12 -3.63 3.13 3.07 -1.22 -3.48 117.51 115.53 2dbd h ILE 98 Ca -0.03 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 65.99 2dbd h ILE 98 Cb 0.45 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 2dbd h ILE 98 CO 0.05 0.14 -0.05 0.61 -1.05 0.00 0.00 178.15 177.86 2dbd n GLY 99 N -1.26 -0.66 3.56 0.16 0.00 0.73 -5.03 105.19 102.69 2dbd n GLY 99 Ca 0.01 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.45 3.19 -1.36 1.61 2.19 -1.23 -4.42 117.98 115.52 2dbd s PHE 100 Ca 0.02 -0.06 -0.09 0.00 0.33 0.00 0.00 56.93 57.14 2dbd s PHE 100 Cb -0.01 -2.27 0.01 0.00 -1.31 0.00 0.00 43.02 39.44 2dbd s PHE 100 CO 0.20 -0.15 1.18 0.43 1.83 0.00 0.00 175.22 178.71 2dbd n SER 101 N 4.69 -6.28 -4.32 6.13 7.64 -1.26 -4.97 113.62 115.25 2dbd n SER 101 Ca -0.15 -0.54 -0.39 0.00 1.01 0.00 0.00 58.87 58.80 2dbd n SER 101 Cb 0.52 -5.04 -0.12 0.00 -1.01 0.00 0.00 64.21 58.56 2dbd n SER 101 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dbd s SER 102 N -3.35 5.49 0.00 6.43 0.15 -1.26 -4.58 113.70 116.58 2dbd s SER 102 Ca 0.57 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2dbd s SER 102 Cb -0.25 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 2dbd s SER 102 CO 0.73 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.43 2dbd n GLY 103 N 4.89 -1.27 0.19 9.45 0.00 -1.26 -4.94 105.19 112.25 2dbd n GLY 103 Ca -0.12 0.47 0.06 0.00 0.00 0.00 0.00 46.02 46.43 2dbd n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbd h PRO 104 N 0.00 0.00 -6.59 1.61 0.13 -2.04 -3.45 132.00 121.66 2dbd h PRO 104 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2dbd h PRO 104 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 2dbd h PRO 104 CO 0.00 0.36 0.88 0.43 -0.23 0.00 0.00 178.00 179.44 2dbd n SER 105 N -3.43 3.49 -4.91 1.44 7.64 -1.26 -4.98 113.62 111.61 2dbd n SER 105 Ca 0.00 1.08 -0.30 0.00 1.01 0.00 0.00 58.87 60.67 2dbd n SER 105 Cb 0.53 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.20 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 0.95 6.46 0.00 6.43 0.15 -1.26 -5.00 113.70 121.43 2dbd s SER 106 Ca 0.76 0.59 0.00 0.00 0.70 0.00 0.00 55.95 58.00 2dbd s SER 106 Cb -0.60 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2dbd s SER 106 CO 0.37 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.37