#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbd s SER 2 N 0.00 6.47 0.25 1.61 0.15 -1.26 -4.97 113.70 115.95 2dbd s SER 2 Ca 0.00 -1.43 0.08 0.00 0.70 0.00 0.00 55.95 55.30 2dbd s SER 2 Cb 0.00 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2dbd s SER 2 CO 0.00 -1.46 -0.12 -0.55 1.20 0.00 0.00 173.24 172.31 2dbd s SER 3 N 4.52 2.83 0.00 5.45 0.15 -1.26 -4.76 113.70 120.62 2dbd s SER 3 Ca 0.41 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2dbd s SER 3 Cb -0.03 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2dbd s SER 3 CO -0.06 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.79 2dbd n GLY 4 N -0.50 0.02 0.62 9.45 0.00 -1.26 -5.04 105.19 108.48 2dbd n GLY 4 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2dbd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dbd n SER 5 N 0.00 0.00 0.00 1.61 2.88 -1.26 -5.03 113.62 111.82 2dbd n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dbd n SER 5 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 2dbd n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dbd n SER 6 N -1.72 0.00 0.00 -3.46 3.41 -1.26 -5.15 113.62 105.45 2dbd n SER 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2dbd n SER 6 Cb 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2dbd n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbd n GLY 7 N 1.18 2.41 2.73 5.00 0.00 -1.26 -5.06 105.19 110.19 2dbd n GLY 7 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 2dbd n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dbd n HIS 8 N 0.11 -4.00 0.27 1.61 -0.00 -1.26 -4.47 115.22 107.48 2dbd n HIS 8 Ca 0.00 1.76 0.15 0.00 -0.00 0.00 0.00 57.72 59.63 2dbd n HIS 8 Cb 0.00 -4.04 0.69 0.00 -0.00 0.00 0.00 29.99 26.64 2dbd n HIS 8 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2dbd h PRO 9 N 3.00 0.00 0.07 -0.41 0.13 -1.97 -0.68 132.00 132.13 2dbd h PRO 9 Ca -0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.77 2dbd h PRO 9 Cb 0.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.16 2dbd h PRO 9 CO 0.11 0.09 -2.11 0.72 -0.23 0.00 0.00 178.00 176.57 2dbd n HIS 10 N -3.28 0.80 0.09 1.56 8.25 -1.26 -3.60 115.22 117.78 2dbd n HIS 10 Ca -0.00 0.19 -0.06 0.00 -0.26 0.00 0.00 57.72 57.59 2dbd n HIS 10 Cb 0.30 -1.11 0.08 0.00 1.12 0.00 0.00 29.99 30.38 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 0.04 1.43 -0.23 1.59 2.04 -1.87 -3.16 117.51 117.35 2dbd h ILE 11 Ca -0.45 -2.21 -0.19 0.00 1.00 0.00 0.00 64.86 63.00 2dbd h ILE 11 Cb 2.01 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.27 2dbd h ILE 11 CO 0.04 0.65 -0.62 1.56 0.00 0.00 0.00 178.15 179.77 2dbd h GLN 12 N 0.13 0.79 -0.15 2.37 1.08 -1.30 -2.87 115.11 115.17 2dbd h GLN 12 Ca -0.02 -0.55 -0.00 0.00 -1.45 0.00 0.00 58.65 56.64 2dbd h GLN 12 Cb 1.23 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.74 2dbd h GLN 12 CO 0.10 1.17 0.09 -0.07 -0.95 0.00 0.00 178.83 179.17 2dbd h LEU 13 N 0.59 0.17 -0.06 1.46 3.38 -1.61 0.36 115.31 119.60 2dbd h LEU 13 Ca -0.01 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2dbd h LEU 13 Cb 1.22 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2dbd h LEU 13 CO 0.13 0.14 -0.42 -0.07 0.09 0.00 0.00 178.44 178.31 2dbd h LEU 14 N 0.20 0.47 0.12 1.67 3.38 -1.50 -1.38 115.31 118.27 2dbd h LEU 14 Ca 0.05 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 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 -0.01 1.08 -0.06 0.11 0.09 0.00 0.00 178.44 179.65 2dbd h LYS 15 N -0.09 -0.15 -0.64 1.13 1.57 -1.23 0.30 116.57 117.46 2dbd h LYS 15 Ca -0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2dbd h LYS 15 Cb 1.09 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 2dbd h LYS 15 CO 0.09 0.30 0.40 1.03 -0.57 0.00 0.00 179.45 180.70 2dbd h SER 16 N -0.70 0.75 -0.84 0.86 0.87 -0.43 -2.69 113.55 111.37 2dbd h SER 16 Ca -0.02 -0.03 -0.58 0.00 -1.23 0.00 0.00 61.79 59.93 2dbd h SER 16 Cb 0.53 -0.19 -0.40 0.00 -0.44 0.00 0.00 62.40 61.90 2dbd h SER 16 CO 0.03 0.56 -0.41 0.59 -0.53 0.00 0.00 176.83 177.07 2dbd n ASN 17 N -4.42 5.59 0.03 6.23 3.02 -0.52 -4.76 115.26 120.43 2dbd n ASN 17 Ca 0.06 -3.76 -0.11 0.00 -0.03 0.00 0.00 54.58 50.75 2dbd n ASN 17 Cb 0.06 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 38.65 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 2.15 -0.16 -0.36 3.52 2.43 -0.03 -2.77 114.38 119.17 2dbd h ARG 18 Ca 0.43 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2dbd h ARG 18 Cb 1.34 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 2dbd h ARG 18 CO 0.96 0.32 0.22 0.93 -1.51 0.00 0.00 179.97 180.90 2dbd h GLU 19 N -0.85 0.47 -0.50 0.20 5.08 -1.83 -2.14 114.58 115.00 2dbd h GLU 19 Ca -0.02 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2dbd h GLU 19 Cb 0.55 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2dbd h GLU 19 CO 0.03 0.33 0.03 1.25 -1.00 0.00 0.00 179.01 179.64 2dbd h LEU 20 N 0.49 0.85 -1.42 1.33 5.85 -1.90 -2.74 115.31 117.77 2dbd h LEU 20 Ca 0.13 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2dbd h LEU 20 Cb -0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 2dbd h LEU 20 CO -0.03 0.93 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.74 2dbd h LEU 21 N 0.74 0.13 -1.23 2.25 3.38 -1.10 0.11 115.31 119.59 2dbd h LEU 21 Ca 0.15 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2dbd h LEU 21 Cb 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2dbd h LEU 21 CO 0.02 0.34 -0.31 0.58 0.09 0.00 0.00 178.44 179.16 2dbd h VAL 22 N 0.13 1.25 0.08 1.22 2.07 -1.15 0.30 116.25 120.15 2dbd h VAL 22 Ca 0.02 -1.18 -0.33 0.00 0.82 0.00 0.00 66.70 66.04 2dbd h VAL 22 Cb 0.43 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2dbd h VAL 22 CO 0.03 0.35 -1.78 0.74 0.02 0.00 0.00 177.57 176.93 2dbd h THR 23 N 0.12 0.84 0.04 2.57 2.02 -1.26 -3.39 112.91 113.85 2dbd h THR 23 Ca 0.02 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 64.62 2dbd h THR 23 Cb 0.61 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 2dbd h THR 23 CO 0.04 0.75 -0.02 0.45 0.37 0.00 0.00 175.52 177.11 2dbd h HIS 24 N 0.05 -0.05 -3.37 3.16 -0.00 -0.90 -3.44 115.15 110.59 2dbd h HIS 24 Ca -0.33 -0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 59.51 2dbd h HIS 24 Cb 2.02 0.02 0.03 0.00 -0.00 0.00 0.00 27.41 29.48 2dbd h HIS 24 CO 0.05 0.57 0.62 0.42 -0.00 0.00 0.00 177.93 179.59 2dbd s ILE 25 N -3.29 3.37 -0.06 2.45 1.01 0.11 -4.72 121.20 120.07 2dbd s ILE 25 Ca -0.16 1.11 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 2dbd s ILE 25 Cb -0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2dbd s ILE 25 CO 0.61 0.16 -0.07 -1.14 0.00 0.00 0.00 174.94 174.49 2dbd n ARG 26 N 2.78 0.12 -3.41 2.79 0.63 -1.26 -4.77 116.66 113.54 2dbd n ARG 26 Ca 0.06 0.05 -0.39 0.00 -0.92 0.00 0.00 57.85 56.66 2dbd n ARG 26 Cb 0.43 -0.71 -0.09 0.00 0.45 0.00 0.00 32.46 32.55 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 -5.48 6.30 -0.10 6.15 -0.87 -1.26 -4.90 114.94 114.79 2dbd s ASN 27 Ca -0.08 0.35 0.17 0.00 -1.57 0.00 0.00 52.86 51.73 2dbd s ASN 27 Cb 0.03 -2.21 -0.24 0.00 -0.02 0.00 0.00 41.25 38.81 2dbd s ASN 27 CO 0.10 -0.13 0.38 0.35 -2.57 0.00 0.00 177.10 175.23 2dbd n THR 28 N 4.81 1.18 -0.23 1.60 -2.24 -1.26 -4.27 114.28 113.86 2dbd n THR 28 Ca -0.09 -0.76 0.08 0.00 -2.27 0.00 0.00 64.05 61.01 2dbd n THR 28 Cb 0.51 -0.54 0.35 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.74 0.20 -0.78 1.08 -1.98 -0.67 115.11 113.70 2dbd h GLN 29 Ca -0.35 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 56.80 2dbd h GLN 29 Cb 1.89 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 29.15 2dbd h GLN 29 CO 0.04 0.49 -0.11 0.00 -0.95 0.00 0.00 178.83 178.30 2dbd h LEU 31 N -0.29 0.16 -0.03 0.00 3.38 -1.64 -2.18 115.31 114.72 2dbd h LEU 31 Ca -0.02 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.65 2dbd h LEU 31 Cb 0.23 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.96 2dbd h LEU 31 CO 0.03 0.38 -1.03 0.58 0.09 0.00 0.00 178.44 178.49 2dbd h VAL 32 N 0.16 1.30 -0.10 1.22 2.07 -0.68 -2.12 116.25 118.08 2dbd h VAL 32 Ca 0.03 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 65.26 2dbd h VAL 32 Cb 0.45 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2dbd h VAL 32 CO 0.03 0.70 0.04 -0.78 0.02 0.00 0.00 177.57 177.58 2dbd h ASP 33 N 0.37 0.14 -0.32 0.57 1.82 0.57 -0.09 116.42 119.48 2dbd h ASP 33 Ca -0.12 -0.16 -0.04 0.00 -0.39 0.00 0.00 57.03 56.31 2dbd h ASP 33 Cb 1.68 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.64 2dbd h ASP 33 CO 0.20 0.27 0.04 0.78 -1.61 0.00 0.00 179.24 178.91 2dbd h ASN 34 N 0.01 0.52 -1.00 2.28 2.35 -1.49 -1.03 115.58 117.22 2dbd h ASN 34 Ca 0.03 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 2dbd h ASN 34 Cb 0.17 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 2dbd h ASN 34 CO -0.00 0.67 0.66 -0.07 -1.65 0.00 0.00 177.43 177.03 2dbd h LEU 35 N 0.36 1.14 -0.37 1.61 3.38 -1.31 -1.72 115.31 118.39 2dbd h LEU 35 Ca 0.09 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2dbd h LEU 35 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2dbd h LEU 35 CO 0.01 0.82 -0.22 -0.07 0.09 0.00 0.00 178.44 179.07 2dbd h LEU 36 N 1.34 0.83 -1.56 1.67 3.38 -0.84 -1.03 115.31 119.11 2dbd h LEU 36 Ca 0.37 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2dbd h LEU 36 Cb -0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 2dbd h LEU 36 CO -0.08 1.08 0.24 0.50 0.09 0.00 0.00 178.44 180.26 2dbd h LYS 37 N 0.59 0.54 -0.01 1.13 3.64 -0.75 0.16 116.57 121.87 2dbd h LYS 37 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2dbd h LYS 37 Cb 0.78 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2dbd h LYS 37 CO 0.06 0.38 0.00 0.09 -2.27 0.00 0.00 179.45 177.71 2dbd n ASN 38 N -4.45 0.44 -2.92 4.20 3.02 -0.69 -4.90 115.26 109.95 2dbd n ASN 38 Ca 0.03 -1.16 -0.20 0.00 -0.03 0.00 0.00 54.58 53.22 2dbd n ASN 38 Cb 0.08 -0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.30 2dbd n ASN 38 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2dbd n ASP 39 N -0.65 -5.66 -0.12 6.41 8.00 0.04 -4.93 116.55 119.64 2dbd n ASP 39 Ca 0.22 -0.37 -0.26 0.00 0.71 0.00 0.00 54.79 55.09 2dbd n ASP 39 Cb 0.18 -4.37 -0.10 0.00 -0.02 0.00 0.00 41.12 36.81 2dbd n ASP 39 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2dbd n TYR 40 N -4.52 0.36 -3.00 1.24 4.01 -0.41 -4.89 117.16 109.96 2dbd n TYR 40 Ca -0.04 0.16 -0.41 0.00 -0.16 0.00 0.00 57.90 57.45 2dbd n TYR 40 Cb 0.57 -1.01 -0.05 0.00 -0.31 0.00 0.00 39.34 38.54 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 -2.47 3.29 1.26 -0.72 0.40 -1.21 -5.03 117.98 113.51 2dbd s PHE 41 Ca -0.35 0.97 -0.20 0.00 -0.60 0.00 0.00 56.93 56.75 2dbd s PHE 41 Cb 0.11 -2.95 0.31 0.00 0.51 0.00 0.00 43.02 41.00 2dbd s PHE 41 CO 0.52 -0.37 1.07 -1.12 0.70 0.00 0.00 175.22 176.01 2dbd s SER 42 N 1.41 0.40 0.18 1.36 0.01 -1.26 -4.72 113.70 111.07 2dbd s SER 42 Ca 0.31 0.68 -0.05 0.00 1.31 0.00 0.00 55.95 58.19 2dbd s SER 42 Cb -0.15 -0.94 0.07 0.00 0.21 0.00 0.00 66.02 65.21 2dbd s SER 42 CO 0.08 -4.45 1.49 0.00 0.41 0.00 0.00 173.24 170.77 2dbd h ALA 43 N -2.80 0.65 -0.29 1.44 0.00 -2.00 -2.90 119.26 113.37 2dbd h ALA 43 Ca -0.44 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 53.91 2dbd h ALA 43 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2dbd h ALA 43 CO 0.32 0.68 -0.01 1.49 0.00 0.00 0.00 179.25 181.74 2dbd h GLU 44 N 0.49 0.51 -0.29 0.00 4.22 -2.00 -2.76 114.58 114.75 2dbd h GLU 44 Ca 0.01 -0.17 0.04 0.00 0.08 0.00 0.00 59.36 59.32 2dbd h GLU 44 Cb 1.09 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2dbd h GLU 44 CO 0.11 0.67 0.08 -0.44 -2.18 0.00 0.00 179.01 177.24 2dbd h ASP 45 N 0.30 0.05 -0.05 1.04 5.19 -1.92 -1.05 116.42 119.98 2dbd h ASP 45 Ca 0.08 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.54 2dbd h ASP 45 Cb 0.45 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 2dbd h ASP 45 CO 0.02 0.06 0.04 0.00 -3.12 0.00 0.00 179.24 176.24 2dbd h ALA 46 N 1.21 1.90 -0.23 3.45 0.00 -1.47 -1.68 119.26 122.43 2dbd h ALA 46 Ca 0.13 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 2dbd h ALA 46 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dbd h ALA 46 CO -0.16 -0.06 -0.65 0.93 0.00 0.00 0.00 179.25 179.30 2dbd h GLU 47 N 0.00 0.84 -0.49 0.00 5.08 -0.91 -2.72 114.58 116.38 2dbd h GLU 47 Ca 0.02 -0.60 -0.09 0.00 -1.00 0.00 0.00 59.36 57.69 2dbd h GLU 47 Cb 0.10 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2dbd h GLU 47 CO -0.00 1.22 -0.06 0.82 -1.00 0.00 0.00 179.01 179.99 2dbd h ILE 48 N 0.61 1.27 0.91 3.13 2.04 -0.68 -1.08 117.51 123.71 2dbd h ILE 48 Ca -0.02 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 2dbd h ILE 48 Cb 1.27 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2dbd h ILE 48 CO 0.14 0.41 -0.44 0.58 0.00 0.00 0.00 178.15 178.84 2dbd h VAL 49 N 0.77 0.06 -0.03 1.67 2.07 -1.42 -2.78 116.25 116.59 2dbd h VAL 49 Ca 0.13 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2dbd h VAL 49 Cb 0.60 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2dbd h VAL 49 CO 0.04 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.65 2dbd h ALA 51 N 1.98 1.41 -2.45 0.00 0.00 -0.89 -3.43 119.26 115.87 2dbd h ALA 51 Ca 0.01 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.38 2dbd h ALA 51 Cb 0.06 0.00 0.19 0.00 0.00 0.00 0.00 17.79 18.04 2dbd h ALA 51 CO -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 179.25 178.94 2dbd h PRO 53 N -0.87 0.65 0.00 0.00 0.13 -1.89 -3.48 132.00 126.53 2dbd h PRO 53 Ca -0.45 -0.83 -0.45 0.00 -0.87 0.00 0.00 66.00 63.39 2dbd h PRO 53 Cb 1.31 0.27 -0.10 0.00 0.13 0.00 0.00 31.00 32.62 2dbd h PRO 53 CO 0.42 1.38 -0.37 0.25 -0.23 0.00 0.00 178.00 179.45 2dbd n THR 54 N -3.80 0.00 0.02 1.56 -2.24 -1.26 -5.08 114.28 103.48 2dbd n THR 54 Ca -0.13 -1.86 -0.11 0.00 -2.27 0.00 0.00 64.05 59.67 2dbd n THR 54 Cb 0.97 0.60 -0.08 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.14 -0.71 -0.78 5.75 -1.94 -3.12 115.11 114.17 2dbd h GLN 55 Ca -0.27 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 58.45 2dbd h GLN 55 Cb 0.96 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 2dbd h GLN 55 CO 0.43 0.36 0.67 -1.35 -2.65 0.00 0.00 178.83 176.29 2dbd h PRO 56 N -0.82 0.00 0.08 -2.39 0.11 -1.90 0.40 132.00 127.48 2dbd h PRO 56 Ca -0.01 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.84 2dbd h PRO 56 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 2dbd h PRO 56 CO 0.02 0.00 -1.13 -0.44 -0.21 0.00 0.00 178.00 176.24 2dbd h ASP 57 N 0.00 0.36 -0.07 -2.05 5.19 -1.96 -3.27 116.42 114.62 2dbd h ASP 57 Ca 0.34 -0.36 -0.10 0.00 -0.62 0.00 0.00 57.03 56.29 2dbd h ASP 57 Cb 1.68 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 41.06 2dbd h ASP 57 CO -0.00 1.25 -0.25 0.11 -3.12 0.00 0.00 179.24 177.23 2dbd h LYS 58 N 0.09 0.50 -0.00 3.56 1.57 -0.15 -2.43 116.57 119.70 2dbd h LYS 58 Ca -0.10 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2dbd h LYS 58 Cb 1.84 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 2dbd h LYS 58 CO 0.18 0.71 -0.03 0.28 -0.57 0.00 0.00 179.45 180.03 2dbd h VAL 59 N 0.44 0.93 -0.14 0.50 2.07 -1.50 -1.04 116.25 117.52 2dbd h VAL 59 Ca 0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 2dbd h VAL 59 Cb 0.67 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2dbd h VAL 59 CO 0.05 0.00 -0.22 -0.09 0.02 0.00 0.00 177.57 177.33 2dbd h ARG 60 N -0.05 0.24 -0.32 1.57 2.43 -1.61 -2.49 114.38 114.16 2dbd h ARG 60 Ca 0.01 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2dbd h ARG 60 Cb 0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2dbd h ARG 60 CO -0.03 0.46 0.04 -0.22 -1.51 0.00 0.00 179.97 178.71 2dbd h LYS 61 N 0.22 0.53 -0.50 0.20 1.63 -0.94 -2.06 116.57 115.65 2dbd h LYS 61 Ca 0.04 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 59.66 2dbd h LYS 61 Cb 0.51 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2dbd h LYS 61 CO 0.03 0.63 0.20 0.82 -3.45 0.00 0.00 179.45 177.68 2dbd h ILE 62 N 0.35 1.21 -0.79 2.00 2.04 -1.01 -2.10 117.51 119.21 2dbd h ILE 62 Ca 0.10 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.30 2dbd h ILE 62 Cb 0.36 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2dbd h ILE 62 CO 0.01 0.25 0.52 -0.07 0.00 0.00 0.00 178.15 178.85 2dbd h LEU 63 N 0.67 0.91 -0.54 1.44 3.38 -1.37 -1.59 115.31 118.21 2dbd h LEU 63 Ca 0.17 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2dbd h LEU 63 Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2dbd h LEU 63 CO -0.01 0.67 -0.09 -0.78 0.09 0.00 0.00 178.44 178.31 2dbd h ASP 64 N 1.07 1.02 0.44 -0.43 3.58 -1.04 -1.69 116.42 119.37 2dbd h ASP 64 Ca 0.29 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2dbd h ASP 64 Cb -0.11 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.66 2dbd h ASP 64 CO -0.06 1.13 -0.21 -0.07 -2.88 0.00 0.00 179.24 177.15 2dbd h LEU 65 N 0.90 -0.50 -1.39 2.28 3.38 -0.81 -2.72 115.31 116.45 2dbd h LEU 65 Ca 0.14 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.11 2dbd h LEU 65 Cb 0.66 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2dbd h LEU 65 CO 0.05 -0.23 0.47 0.58 0.09 0.00 0.00 178.44 179.40 2dbd h VAL 66 N -0.76 1.01 0.00 1.22 2.07 -1.33 -0.04 116.25 118.42 2dbd h VAL 66 Ca -0.06 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2dbd h VAL 66 Cb 0.53 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2dbd h VAL 66 CO 0.10 0.13 -0.09 1.56 0.02 0.00 0.00 177.57 179.29 2dbd h GLN 67 N 0.74 0.00 0.05 1.57 4.20 -1.15 -2.25 115.11 118.27 2dbd h GLN 67 Ca 0.31 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.74 2dbd h GLN 67 Cb 0.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2dbd h GLN 67 CO -0.10 0.09 -1.50 1.03 -0.67 0.00 0.00 178.83 177.67 2dbd h SER 68 N 0.00 0.18 0.00 1.46 0.87 -0.74 -3.39 113.55 111.92 2dbd h SER 68 Ca -0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2dbd h SER 68 Cb 0.16 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2dbd h SER 68 CO 0.01 1.23 0.00 0.29 -0.53 0.00 0.00 176.83 177.83 2dbd n LYS 69 N -3.30 0.00 -3.97 2.24 5.02 -0.50 -5.04 118.16 112.61 2dbd n LYS 69 Ca -0.14 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2dbd n LYS 69 Cb 1.02 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 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 -0.97 -1.22 0.13 0.72 0.00 -1.01 -4.95 105.19 97.88 2dbd n GLY 70 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.76 1.61 5.08 -1.94 -2.17 114.58 116.40 2dbd h GLU 71 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2dbd h GLU 71 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2dbd h GLU 71 CO 0.00 0.65 0.50 1.49 -1.00 0.00 0.00 179.01 180.65 2dbd h GLU 72 N 0.00 0.76 0.07 2.33 4.81 -1.96 0.62 114.58 121.21 2dbd h GLU 72 Ca -0.01 -0.05 -0.35 0.00 -0.13 0.00 0.00 59.36 58.83 2dbd h GLU 72 Cb 1.31 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2dbd h GLU 72 CO 0.08 0.50 -2.03 0.28 -0.73 0.00 0.00 179.01 177.12 2dbd n VAL 73 N -4.49 1.67 -0.37 0.32 0.31 -1.21 -3.63 118.33 110.93 2dbd n VAL 73 Ca 0.12 -0.69 -0.02 0.00 -0.01 0.00 0.00 64.34 63.74 2dbd n VAL 73 Cb 0.25 -1.44 0.12 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.04 1.14 -0.21 4.52 0.87 -1.11 0.24 113.55 119.03 2dbd h SER 74 Ca -0.42 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.02 2dbd h SER 74 Cb 2.03 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 63.69 2dbd h SER 74 CO 0.06 0.84 -0.16 -0.08 -0.53 0.00 0.00 176.83 176.95 2dbd h GLU 75 N 1.34 0.49 -0.28 2.24 4.81 -1.05 -2.06 114.58 120.07 2dbd h GLU 75 Ca 0.36 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2dbd h GLU 75 Cb -0.14 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2dbd h GLU 75 CO -0.08 0.80 -0.21 0.35 -0.73 0.00 0.00 179.01 179.15 2dbd h PHE 76 N 0.18 0.57 -0.06 0.92 3.57 -1.55 -1.38 116.94 119.19 2dbd h PHE 76 Ca 0.04 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2dbd h PHE 76 Cb 0.69 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 2dbd h PHE 76 CO 0.07 0.69 -0.00 0.35 -2.23 0.00 0.00 178.31 177.19 2dbd h PHE 77 N 0.47 0.11 -0.07 0.41 3.57 -0.48 -2.56 116.94 118.39 2dbd h PHE 77 Ca 0.07 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2dbd h PHE 77 Cb 0.62 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 2dbd h PHE 77 CO 0.02 0.38 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.16 2dbd h LEU 78 N -0.19 0.11 -0.96 0.59 3.38 -1.30 -2.62 115.31 114.32 2dbd h LEU 78 Ca 0.02 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2dbd h LEU 78 Cb 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2dbd h LEU 78 CO 0.00 0.37 -0.03 0.22 0.09 0.00 0.00 178.44 179.09 2dbd h TYR 79 N 0.10 0.76 -0.63 1.13 5.03 -1.11 -2.89 116.97 119.37 2dbd h TYR 79 Ca 0.02 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.21 2dbd h TYR 79 Cb 0.51 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.55 2dbd h TYR 79 CO 0.00 0.74 0.36 -0.07 -1.32 0.00 0.00 178.16 177.87 2dbd h LEU 80 N 0.67 0.79 -2.22 2.82 3.38 -1.06 -1.68 115.31 118.01 2dbd h LEU 80 Ca 0.13 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2dbd h LEU 80 Cb 0.46 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dbd h LEU 80 CO 0.02 0.64 0.11 -0.07 0.09 0.00 0.00 178.44 179.24 2dbd h LEU 81 N 0.86 0.00 0.24 1.67 4.07 -1.50 0.43 115.31 121.08 2dbd h LEU 81 Ca 0.22 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.85 2dbd h LEU 81 Cb 0.02 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.80 2dbd h LEU 81 CO -0.04 0.00 -1.48 -0.61 -1.08 0.00 0.00 178.44 175.23 2dbd h GLN 82 N 0.00 0.51 -0.07 1.13 4.15 -1.31 -2.25 115.11 117.26 2dbd h GLN 82 Ca 0.06 -0.87 -0.13 0.00 0.77 0.00 0.00 58.65 58.48 2dbd h GLN 82 Cb 0.29 0.32 0.01 0.00 0.21 0.00 0.00 27.48 28.31 2dbd h GLN 82 CO -0.00 1.42 -0.48 0.37 -1.93 0.00 0.00 178.83 178.21 2dbd h GLN 83 N 0.10 0.45 0.00 1.69 4.15 -0.64 -3.17 115.11 117.70 2dbd h GLN 83 Ca -0.26 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 58.77 2dbd h GLN 83 Cb 2.13 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.90 2dbd h GLN 83 CO 0.25 1.03 0.00 -0.07 -1.93 0.00 0.00 178.83 178.11 2dbd h LEU 84 N 0.01 0.00 -1.90 -2.39 3.38 -0.33 -3.16 115.31 110.91 2dbd h LEU 84 Ca -0.04 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.11 2dbd h LEU 84 Cb 1.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2dbd h LEU 84 CO 0.10 0.00 0.57 0.00 0.09 0.00 0.00 178.44 179.20 2dbd h ALA 85 N 2.08 2.40 -0.24 1.53 0.00 -1.37 0.23 119.26 123.89 2dbd h ALA 85 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2dbd h ALA 85 Cb 0.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2dbd h ALA 85 CO 0.00 -0.88 0.17 0.22 0.00 0.00 0.00 179.25 178.76 2dbd h ASP 86 N 0.00 0.10 0.04 0.00 1.82 -1.73 -2.95 116.42 113.70 2dbd h ASP 86 Ca 0.29 -0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.62 2dbd h ASP 86 Cb 1.43 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 41.38 2dbd h ASP 86 CO -0.00 0.07 -1.67 0.00 -1.61 0.00 0.00 179.24 176.03 2dbd n ALA 87 N -2.55 0.88 -1.78 -0.78 0.00 0.77 -4.92 120.51 112.13 2dbd n ALA 87 Ca 0.02 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 2dbd n ALA 87 Cb 0.24 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 -2.45 2.72 -0.34 0.00 1.51 -1.01 -4.92 117.35 112.85 2dbd s TYR 88 Ca -0.28 1.16 0.07 0.00 -1.01 0.00 0.00 57.07 57.01 2dbd s TYR 88 Cb 0.07 -3.95 0.55 0.00 -0.11 0.00 0.00 41.96 38.52 2dbd s TYR 88 CO 0.64 -2.84 1.59 1.33 -1.11 0.00 0.00 175.55 175.16 2dbd n VAL 89 N 0.84 2.75 0.07 0.71 0.24 -1.26 -4.62 118.33 117.06 2dbd n VAL 89 Ca 0.02 -2.56 0.00 0.00 -2.04 0.00 0.00 64.34 59.76 2dbd n VAL 89 Cb 0.39 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 2dbd n VAL 89 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2dbd n ASP 90 N -1.13 0.39 -4.63 -1.34 9.92 -1.26 -5.03 116.55 113.47 2dbd n ASP 90 Ca 0.41 0.23 -0.43 0.00 -0.53 0.00 0.00 54.79 54.48 2dbd n ASP 90 Cb 1.21 0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 41.68 2dbd n ASP 90 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dbd s LEU 91 N -6.64 3.88 0.18 0.64 1.43 -1.26 -4.47 118.68 112.44 2dbd s LEU 91 Ca 0.00 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2dbd s LEU 91 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2dbd s LEU 91 CO 0.00 -1.32 0.00 -1.14 0.23 0.00 0.00 176.35 174.12 2dbd n ARG 92 N 7.77 0.00 0.15 1.70 0.63 -1.26 -4.88 116.66 120.77 2dbd n ARG 92 Ca 0.20 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.17 2dbd n ARG 92 Cb 0.45 0.00 0.45 0.00 0.45 0.00 0.00 32.46 33.81 2dbd n ARG 92 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2dbd h PRO 93 N 0.00 0.17 -0.13 -0.14 0.11 -2.00 -2.50 132.00 127.51 2dbd h PRO 93 Ca 0.00 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 2dbd h PRO 93 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2dbd h PRO 93 CO 0.00 0.28 -0.42 2.35 -0.21 0.00 0.00 178.00 180.00 2dbd h TRP 94 N 0.16 0.68 -0.31 0.65 7.01 -1.92 -1.60 115.95 120.62 2dbd h TRP 94 Ca 0.04 -0.28 0.02 0.00 2.11 0.00 0.00 58.89 60.78 2dbd h TRP 94 Cb 0.29 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 2dbd h TRP 94 CO 0.00 1.03 0.17 -0.07 -2.79 0.00 0.00 178.44 176.79 2dbd h LEU 95 N 0.13 0.27 -0.98 0.65 3.38 -1.86 -1.81 115.31 115.09 2dbd h LEU 95 Ca -0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2dbd h LEU 95 Cb 1.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2dbd h LEU 95 CO 0.09 0.20 -0.44 -0.07 0.09 0.00 0.00 178.44 178.31 2dbd h LEU 96 N 0.35 0.15 0.39 1.67 3.38 -1.51 0.14 115.31 119.89 2dbd h LEU 96 Ca 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2dbd h LEU 96 Cb 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2dbd h LEU 96 CO -0.07 0.57 -0.19 -0.08 0.09 0.00 0.00 178.44 178.76 2dbd h GLU 97 N 0.12 -0.51 -0.00 1.13 4.81 -0.67 -3.14 114.58 116.31 2dbd h GLU 97 Ca 0.01 0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.07 2dbd h GLU 97 Cb 0.83 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2dbd h GLU 97 CO 0.06 -0.30 -0.89 -0.84 -0.73 0.00 0.00 179.01 176.31 2dbd h ILE 98 N -0.60 1.46 -3.49 2.32 3.07 -1.35 -3.50 117.51 115.42 2dbd h ILE 98 Ca -0.05 -2.53 0.00 0.00 1.55 0.00 0.00 64.86 63.82 2dbd h ILE 98 Cb 0.45 2.43 -0.01 0.00 -0.27 0.00 0.00 36.82 39.43 2dbd h ILE 98 CO 0.09 0.75 -0.26 0.61 -1.05 0.00 0.00 178.15 178.29 2dbd n GLY 99 N 0.89 -3.23 2.33 0.16 0.00 0.50 -4.92 105.19 100.92 2dbd n GLY 99 Ca -0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 0.20 2.38 -3.57 1.61 7.35 -1.24 -4.88 117.46 119.31 2dbd n PHE 100 Ca -0.02 -2.39 -0.11 0.00 -0.76 0.00 0.00 57.45 54.18 2dbd n PHE 100 Cb 0.03 -1.25 -0.05 0.00 0.35 0.00 0.00 39.48 38.56 2dbd n PHE 100 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2dbd s SER 101 N -0.69 -0.38 -0.23 -2.13 0.01 -1.26 -5.13 113.70 103.88 2dbd s SER 101 Ca 0.51 0.41 0.01 0.00 1.31 0.00 0.00 55.95 58.19 2dbd s SER 101 Cb 0.39 0.32 0.06 0.00 0.21 0.00 0.00 66.02 67.00 2dbd s SER 101 CO -0.12 -0.36 -0.05 -0.44 0.41 0.00 0.00 173.24 172.68 2dbd s SER 102 N -1.13 3.82 -0.00 2.44 0.01 -1.26 -5.12 113.70 112.45 2dbd s SER 102 Ca -0.02 -1.16 0.03 0.00 1.31 0.00 0.00 55.95 56.11 2dbd s SER 102 Cb -0.00 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 2dbd s SER 102 CO 0.02 -0.23 -0.05 -0.83 0.41 0.00 0.00 173.24 172.55 2dbd s GLY 103 N 1.40 1.77 0.02 3.44 0.00 -1.26 -5.04 107.32 107.66 2dbd s GLY 103 Ca -0.06 -1.00 -0.19 0.00 0.00 0.00 0.00 44.72 43.47 2dbd s GLY 103 CO -0.06 -0.85 1.18 -0.56 0.00 0.00 0.00 173.10 172.80 2dbd h PRO 104 N 4.55 0.44 -6.98 2.90 0.13 -2.03 -3.45 132.00 127.55 2dbd h PRO 104 Ca -0.49 -0.39 -0.44 0.00 -0.87 0.00 0.00 66.00 63.82 2dbd h PRO 104 Cb 1.17 0.09 0.06 0.00 0.13 0.00 0.00 31.00 32.45 2dbd h PRO 104 CO 0.54 1.03 0.05 0.45 -0.23 0.00 0.00 178.00 179.84 2dbd s SER 105 N -6.62 5.12 -1.43 1.44 0.15 -1.26 -4.39 113.70 106.72 2dbd s SER 105 Ca -0.13 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.58 2dbd s SER 105 Cb 0.04 -0.93 0.01 0.00 -1.71 0.00 0.00 66.02 63.44 2dbd s SER 105 CO 0.81 -1.29 0.85 -1.20 1.20 0.00 0.00 173.24 173.60 2dbd n SER 106 N -2.53 -6.14 -0.71 5.45 7.64 -1.26 -5.19 113.62 110.88 2dbd n SER 106 Ca 0.08 -0.39 0.09 0.00 1.01 0.00 0.00 58.87 59.66 2dbd n SER 106 Cb 0.60 -4.87 0.07 0.00 -1.01 0.00 0.00 64.21 59.00 2dbd n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64