#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 5.43 -0.00 1.61 1.04 -1.26 -5.04 113.70 115.48 2dbd s SER 2 Ca 0.00 2.53 -0.03 0.00 0.48 0.00 0.00 55.95 58.93 2dbd s SER 2 Cb 0.00 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.50 2dbd s SER 2 CO 0.00 -1.44 0.05 -0.44 0.98 0.00 0.00 173.24 172.40 2dbd s SER 3 N -1.27 0.07 0.00 7.02 0.01 -1.26 -5.11 113.70 113.17 2dbd s SER 3 Ca 0.72 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2dbd s SER 3 Cb -0.34 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2dbd s SER 3 CO 0.40 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2dbd n GLY 4 N 2.00 -0.27 3.37 3.44 0.00 -1.26 -5.02 105.19 107.44 2dbd n GLY 4 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2dbd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dbd s SER 5 N -2.32 3.48 0.00 1.61 0.15 -1.26 -4.99 113.70 110.37 2dbd s SER 5 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2dbd s SER 5 Cb 0.00 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 2dbd s SER 5 CO 0.00 0.31 0.00 -1.20 1.20 0.00 0.00 173.24 173.55 2dbd n SER 6 N 2.53 0.23 0.00 5.45 7.64 -1.26 -5.10 113.62 123.11 2dbd n SER 6 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2dbd n SER 6 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2dbd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbd n GLY 7 N 1.81 0.35 2.91 0.23 0.00 -1.26 -5.15 105.19 104.08 2dbd n GLY 7 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.94 0.06 1.61 4.02 -1.26 -5.01 115.29 113.76 2dbd s HIS 8 Ca 0.00 0.53 0.33 0.00 1.02 0.00 0.00 55.06 56.93 2dbd s HIS 8 Cb 0.00 -0.08 1.47 0.00 -1.02 0.00 0.00 32.58 32.94 2dbd s HIS 8 CO 0.00 -0.89 1.97 -1.00 1.02 0.00 0.00 174.74 175.85 2dbd h PRO 9 N 8.17 0.00 0.01 8.40 0.13 -2.01 0.79 132.00 147.49 2dbd h PRO 9 Ca -0.13 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.61 2dbd h PRO 9 Cb 1.13 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 2dbd h PRO 9 CO 0.27 0.00 -2.43 0.72 -0.23 0.00 0.00 178.00 176.33 2dbd n HIS 10 N -2.84 0.13 -0.02 1.56 8.25 -1.26 -4.16 115.22 116.88 2dbd n HIS 10 Ca 0.00 0.03 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 2dbd n HIS 10 Cb 0.23 -1.02 -0.07 0.00 1.12 0.00 0.00 29.99 30.24 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 -0.06 1.29 -0.22 1.59 2.04 -1.91 -3.16 117.51 117.08 2dbd h ILE 11 Ca -0.57 -1.95 0.02 0.00 1.00 0.00 0.00 64.86 63.35 2dbd h ILE 11 Cb 1.89 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.97 2dbd h ILE 11 CO -0.09 0.62 0.15 1.56 0.00 0.00 0.00 178.15 180.38 2dbd h GLN 12 N 0.49 0.21 -0.09 2.37 4.20 -1.07 -0.93 115.11 120.29 2dbd h GLN 12 Ca -0.05 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2dbd h GLN 12 Cb 1.38 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 2dbd h GLN 12 CO 0.15 0.14 0.05 -0.07 -0.67 0.00 0.00 178.83 178.43 2dbd h LEU 13 N 0.22 0.10 0.07 1.46 3.38 -1.71 0.30 115.31 119.14 2dbd h LEU 13 Ca 0.09 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2dbd h LEU 13 Cb 0.09 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2dbd h LEU 13 CO -0.02 0.08 -0.57 -0.07 0.09 0.00 0.00 178.44 177.96 2dbd h LEU 14 N 0.12 0.23 0.16 1.67 3.38 -1.29 -2.28 115.31 117.31 2dbd h LEU 14 Ca 0.03 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.06 2dbd h LEU 14 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2dbd h LEU 14 CO -0.01 1.26 -0.08 0.11 0.09 0.00 0.00 178.44 179.82 2dbd h LYS 15 N -0.67 -0.21 0.28 1.13 1.57 -1.19 0.48 116.57 117.97 2dbd h LYS 15 Ca -0.11 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2dbd h LYS 15 Cb 1.37 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.73 2dbd h LYS 15 CO 0.06 0.04 -0.13 1.03 -0.57 0.00 0.00 179.45 179.87 2dbd h SER 16 N -0.43 -0.32 -1.06 0.86 0.87 -0.57 -3.07 113.55 109.83 2dbd h SER 16 Ca -0.02 -0.10 -0.57 0.00 -1.23 0.00 0.00 61.79 59.87 2dbd h SER 16 Cb 0.33 0.08 -0.22 0.00 -0.44 0.00 0.00 62.40 62.15 2dbd h SER 16 CO 0.04 -0.09 0.70 0.59 -0.53 0.00 0.00 176.83 177.53 2dbd n ASN 17 N -5.18 7.11 0.05 6.23 3.02 -0.86 -4.58 115.26 121.05 2dbd n ASN 17 Ca -0.10 -3.49 -0.03 0.00 -0.03 0.00 0.00 54.58 50.93 2dbd n ASN 17 Cb 0.22 -1.07 -0.02 0.00 -0.61 0.00 0.00 39.78 38.30 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 2.24 -0.22 -0.10 3.52 2.43 -0.79 -2.32 114.38 119.14 2dbd h ARG 18 Ca 0.47 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.64 2dbd h ARG 18 Cb 0.67 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2dbd h ARG 18 CO 1.20 -0.14 -0.01 0.93 -1.51 0.00 0.00 179.97 180.43 2dbd h GLU 19 N -1.05 0.15 -0.17 0.20 4.39 -1.84 -1.92 114.58 114.34 2dbd h GLU 19 Ca -0.02 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2dbd h GLU 19 Cb 0.17 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2dbd h GLU 19 CO 0.04 0.18 -0.20 1.25 -1.16 0.00 0.00 179.01 179.12 2dbd h LEU 20 N 0.15 0.47 -1.45 1.33 5.85 -1.87 -3.08 115.31 116.71 2dbd h LEU 20 Ca 0.04 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 2dbd h LEU 20 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2dbd h LEU 20 CO 0.00 0.87 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.76 2dbd h LEU 21 N 0.09 0.17 -1.45 2.25 3.38 -1.00 -1.16 115.31 117.58 2dbd h LEU 21 Ca 0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2dbd h LEU 21 Cb 0.75 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2dbd h LEU 21 CO 0.05 0.34 -0.21 0.58 0.09 0.00 0.00 178.44 179.29 2dbd h VAL 22 N 0.17 1.18 0.13 1.22 2.07 -1.28 0.11 116.25 119.85 2dbd h VAL 22 Ca 0.03 -0.84 -0.33 0.00 0.82 0.00 0.00 66.70 66.38 2dbd h VAL 22 Cb 0.37 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2dbd h VAL 22 CO 0.02 0.25 -1.73 0.74 0.02 0.00 0.00 177.57 176.87 2dbd h THR 23 N 0.09 0.92 0.52 2.57 2.02 -1.32 -3.39 112.91 114.32 2dbd h THR 23 Ca 0.02 -2.59 -0.03 0.00 0.77 0.00 0.00 66.41 64.58 2dbd h THR 23 Cb 0.42 2.66 0.01 0.00 -1.74 0.00 0.00 68.15 69.50 2dbd h THR 23 CO 0.03 0.81 -0.25 0.45 0.37 0.00 0.00 175.52 176.94 2dbd h HIS 24 N 0.07 -0.64 -3.52 3.16 -0.00 -1.07 -3.44 115.15 109.72 2dbd h HIS 24 Ca -0.32 -0.02 -0.52 0.00 -0.00 0.00 0.00 60.37 59.51 2dbd h HIS 24 Cb 2.04 0.21 0.05 0.00 -0.00 0.00 0.00 27.41 29.71 2dbd h HIS 24 CO 0.07 -0.34 0.67 0.42 -0.00 0.00 0.00 177.93 178.76 2dbd s ILE 25 N -4.28 2.94 -0.09 2.45 1.01 0.01 -4.62 121.20 118.62 2dbd s ILE 25 Ca -0.13 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.38 2dbd s ILE 25 Cb 0.01 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 2dbd s ILE 25 CO 0.41 0.15 -0.03 -1.14 0.00 0.00 0.00 174.94 174.32 2dbd n ARG 26 N 2.05 1.42 -4.48 2.79 3.00 -1.26 -4.80 116.66 115.38 2dbd n ARG 26 Ca 0.05 0.03 -0.33 0.00 -0.00 0.00 0.00 57.85 57.59 2dbd n ARG 26 Cb 0.42 -1.21 -0.10 0.00 0.00 0.00 0.00 32.46 31.56 2dbd n ARG 26 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2dbd s ASN 27 N -4.54 4.84 -0.08 6.15 3.84 -1.26 -4.88 114.94 119.01 2dbd s ASN 27 Ca -0.09 -0.01 0.04 0.00 0.21 0.00 0.00 52.86 53.00 2dbd s ASN 27 Cb 0.03 -1.24 -0.07 0.00 -0.55 0.00 0.00 41.25 39.42 2dbd s ASN 27 CO 0.29 0.34 -0.02 0.35 -2.79 0.00 0.00 177.10 175.27 2dbd n THR 28 N 1.93 0.47 0.08 -5.21 -2.24 -1.26 -4.59 114.28 103.46 2dbd n THR 28 Ca -0.17 -0.24 0.16 0.00 -2.27 0.00 0.00 64.05 61.53 2dbd n THR 28 Cb 0.53 -0.81 0.67 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.00 -0.79 -0.78 1.08 -1.98 -0.75 115.11 111.89 2dbd h GLN 29 Ca -0.19 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2dbd h GLN 29 Cb 1.36 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.75 2dbd h GLN 29 CO -0.01 0.00 0.43 0.00 -0.95 0.00 0.00 178.83 178.30 2dbd h LEU 31 N 1.09 0.30 -1.05 0.00 3.38 -1.46 -3.09 115.31 114.48 2dbd h LEU 31 Ca 0.28 -0.89 0.02 0.00 0.09 0.00 0.00 57.88 57.38 2dbd h LEU 31 Cb 0.03 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2dbd h LEU 31 CO -0.04 1.15 0.64 0.58 0.09 0.00 0.00 178.44 180.86 2dbd h VAL 32 N -0.52 1.21 0.20 1.22 2.07 -1.18 0.17 116.25 119.42 2dbd h VAL 32 Ca -0.07 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2dbd h VAL 32 Cb 1.26 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2dbd h VAL 32 CO 0.08 0.23 -0.10 -0.78 0.02 0.00 0.00 177.57 177.03 2dbd h ASP 33 N 1.27 -0.23 -0.30 0.57 1.82 -0.74 0.29 116.42 119.11 2dbd h ASP 33 Ca 0.37 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.93 2dbd h ASP 33 Cb -0.07 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 2dbd h ASP 33 CO -0.10 -0.10 0.07 0.78 -1.61 0.00 0.00 179.24 178.28 2dbd h ASN 34 N -0.34 0.46 -0.10 2.28 2.35 -1.41 -1.38 115.58 117.45 2dbd h ASN 34 Ca -0.03 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2dbd h ASN 34 Cb 0.26 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2dbd h ASN 34 CO 0.05 0.58 0.06 -0.07 -1.65 0.00 0.00 177.43 176.40 2dbd h LEU 35 N 0.32 0.12 -0.08 1.61 3.38 -0.61 -1.17 115.31 118.88 2dbd h LEU 35 Ca 0.09 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 2dbd h LEU 35 Cb 0.31 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2dbd h LEU 35 CO 0.00 0.10 -1.04 -0.07 0.09 0.00 0.00 178.44 177.52 2dbd h LEU 36 N 0.14 0.50 -0.79 1.67 3.38 -0.58 0.12 115.31 119.75 2dbd h LEU 36 Ca 0.04 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 2dbd h LEU 36 Cb -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2dbd h LEU 36 CO -0.01 1.27 -0.42 0.50 0.09 0.00 0.00 178.44 179.87 2dbd h LYS 37 N 0.18 0.39 -0.01 1.13 3.11 -0.41 -2.54 116.57 118.43 2dbd h LYS 37 Ca -0.10 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 2dbd h LYS 37 Cb 1.70 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.93 2dbd h LYS 37 CO 0.18 0.75 0.00 0.09 -2.81 0.00 0.00 179.45 177.66 2dbd n ASN 38 N -4.01 0.40 -2.43 4.20 5.03 -0.52 -4.90 115.26 113.02 2dbd n ASN 38 Ca -0.02 -1.14 -0.18 0.00 0.87 0.00 0.00 54.58 54.11 2dbd n ASN 38 Cb 0.51 -0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.30 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 -0.69 -5.18 -0.12 6.41 -0.08 -0.96 -4.93 116.55 111.01 2dbd n ASP 39 Ca 0.22 -0.23 -0.25 0.00 -1.51 0.00 0.00 54.79 53.03 2dbd n ASP 39 Cb 0.17 -4.03 -0.11 0.00 2.34 0.00 0.00 41.12 39.50 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 -4.26 0.59 -2.88 -0.67 4.02 -0.00 -4.89 117.16 109.07 2dbd n TYR 40 Ca -0.09 0.25 -0.41 0.00 -0.01 0.00 0.00 57.90 57.64 2dbd n TYR 40 Cb 0.60 -1.04 -0.04 0.00 -0.02 0.00 0.00 39.34 38.84 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 -2.43 3.47 0.96 -0.72 0.40 -1.01 -5.03 117.98 113.62 2dbd s PHE 41 Ca -0.33 1.32 -0.12 0.00 -0.60 0.00 0.00 56.93 57.21 2dbd s PHE 41 Cb 0.09 -3.01 0.17 0.00 0.51 0.00 0.00 43.02 40.78 2dbd s PHE 41 CO 0.54 -0.18 1.09 -1.12 0.70 0.00 0.00 175.22 176.24 2dbd s SER 42 N 1.09 2.86 0.28 1.36 0.01 -1.26 -4.75 113.70 113.30 2dbd s SER 42 Ca 0.40 1.50 0.08 0.00 1.31 0.00 0.00 55.95 59.25 2dbd s SER 42 Cb -0.17 -2.17 0.39 0.00 0.21 0.00 0.00 66.02 64.28 2dbd s SER 42 CO 0.15 -3.03 1.64 0.00 0.41 0.00 0.00 173.24 172.41 2dbd h ALA 43 N -1.82 1.02 -0.07 1.44 0.00 -1.99 -2.35 119.26 115.49 2dbd h ALA 43 Ca -0.52 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 53.67 2dbd h ALA 43 Cb 1.30 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dbd h ALA 43 CO 0.53 0.68 -0.86 0.93 0.00 0.00 0.00 179.25 180.54 2dbd h GLU 44 N 0.08 0.61 -0.26 0.00 5.08 -2.01 -3.12 114.58 114.97 2dbd h GLU 44 Ca -0.00 -0.56 -0.13 0.00 -1.00 0.00 0.00 59.36 57.67 2dbd h GLU 44 Cb 0.99 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2dbd h GLU 44 CO 0.08 1.18 -0.38 -0.44 -1.00 0.00 0.00 179.01 178.45 2dbd h ASP 45 N 0.39 0.62 0.05 1.42 5.19 -1.91 -2.87 116.42 119.30 2dbd h ASP 45 Ca -0.07 -0.27 -0.04 0.00 -0.62 0.00 0.00 57.03 56.04 2dbd h ASP 45 Cb 1.49 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 2dbd h ASP 45 CO 0.16 0.94 -0.11 0.00 -3.12 0.00 0.00 179.24 177.11 2dbd h ALA 46 N 1.10 1.63 0.00 3.45 0.00 -1.44 -1.97 119.26 122.03 2dbd h ALA 46 Ca 0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2dbd h ALA 46 Cb 0.87 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2dbd h ALA 46 CO 0.08 0.27 -0.54 0.93 0.00 0.00 0.00 179.25 179.99 2dbd h GLU 47 N 0.15 0.00 -0.00 0.00 5.08 -1.44 -2.95 114.58 115.41 2dbd h GLU 47 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2dbd h GLU 47 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2dbd h GLU 47 CO 0.02 0.54 -0.56 0.82 -1.00 0.00 0.00 179.01 178.82 2dbd h ILE 48 N 0.00 1.40 0.12 3.13 2.04 -1.29 -2.76 117.51 120.15 2dbd h ILE 48 Ca -0.01 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 2dbd h ILE 48 Cb 0.99 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2dbd h ILE 48 CO 0.07 0.55 -0.06 0.58 0.00 0.00 0.00 178.15 179.29 2dbd h VAL 49 N 0.01 1.06 -0.02 1.67 2.07 -1.36 -3.14 116.25 116.54 2dbd h VAL 49 Ca -0.01 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.41 2dbd h VAL 49 Cb 1.00 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2dbd h VAL 49 CO 0.07 0.25 0.03 0.00 0.02 0.00 0.00 177.57 177.94 2dbd h ALA 51 N 1.96 2.30 -2.83 0.00 0.00 -1.43 -3.42 119.26 115.84 2dbd h ALA 51 Ca 0.01 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 2dbd h ALA 51 Cb 0.07 0.03 0.10 0.00 0.00 0.00 0.00 17.79 17.99 2dbd h ALA 51 CO -0.00 -0.54 0.78 0.00 0.00 0.00 0.00 179.25 179.49 2dbd h PRO 53 N 3.57 0.65 -5.88 0.00 0.13 -1.90 -3.47 132.00 125.09 2dbd h PRO 53 Ca -0.49 -0.66 -0.58 0.00 -0.87 0.00 0.00 66.00 63.40 2dbd h PRO 53 Cb 1.24 0.18 -0.06 0.00 0.13 0.00 0.00 31.00 32.49 2dbd h PRO 53 CO 0.69 1.26 -0.37 0.95 -0.23 0.00 0.00 178.00 180.30 2dbd s THR 54 N -3.38 1.85 -0.08 1.56 -4.23 -1.26 -5.07 115.64 105.02 2dbd s THR 54 Ca -0.11 -1.56 -0.23 0.00 -1.18 0.00 0.00 61.69 58.62 2dbd s THR 54 Cb 0.06 -2.41 -0.18 0.00 1.34 0.00 0.00 72.50 71.31 2dbd s THR 54 CO 0.89 0.00 0.84 -0.61 -0.54 0.00 0.00 174.62 175.21 2dbd h GLN 55 N 0.97 -0.09 -0.72 3.99 5.75 -1.95 -3.17 115.11 119.88 2dbd h GLN 55 Ca -0.39 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 58.32 2dbd h GLN 55 Cb 1.29 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.83 2dbd h GLN 55 CO 0.61 0.49 0.64 -1.35 -2.65 0.00 0.00 178.83 176.57 2dbd h PRO 56 N -0.84 0.00 0.04 -2.39 0.11 -1.90 0.32 132.00 127.34 2dbd h PRO 56 Ca -0.01 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.87 2dbd h PRO 56 Cb 0.62 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 2dbd h PRO 56 CO 0.02 0.00 -1.02 -0.44 -0.21 0.00 0.00 178.00 176.34 2dbd h ASP 57 N 0.00 0.39 -0.22 -2.05 5.19 -1.96 -3.23 116.42 114.54 2dbd h ASP 57 Ca 0.34 -0.35 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 2dbd h ASP 57 Cb 1.62 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.99 2dbd h ASP 57 CO -0.00 1.19 0.02 0.11 -3.12 0.00 0.00 179.24 177.43 2dbd h LYS 58 N 0.13 0.50 -0.33 3.56 1.57 -0.34 -2.33 116.57 119.33 2dbd h LYS 58 Ca -0.08 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2dbd h LYS 58 Cb 1.69 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2dbd h LYS 58 CO 0.17 0.51 0.13 0.28 -0.57 0.00 0.00 179.45 179.97 2dbd h VAL 59 N 0.48 1.18 0.00 0.50 2.07 -1.52 -0.85 116.25 118.11 2dbd h VAL 59 Ca 0.11 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 2dbd h VAL 59 Cb 0.29 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2dbd h VAL 59 CO 0.01 0.20 -0.30 -0.09 0.02 0.00 0.00 177.57 177.40 2dbd h ARG 60 N 0.38 0.00 -0.05 1.57 2.43 -1.55 -2.27 114.38 114.90 2dbd h ARG 60 Ca 0.11 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2dbd h ARG 60 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2dbd h ARG 60 CO -0.01 0.30 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.33 2dbd h LYS 61 N 0.00 0.22 -0.87 0.20 1.63 -1.04 -2.72 116.57 113.99 2dbd h LYS 61 Ca -0.00 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 2dbd h LYS 61 Cb 0.54 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 2dbd h LYS 61 CO 0.04 0.82 0.57 0.82 -3.45 0.00 0.00 179.45 178.25 2dbd h ILE 62 N -0.33 1.23 -0.41 2.00 2.04 -1.05 -1.00 117.51 119.99 2dbd h ILE 62 Ca -0.01 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2dbd h ILE 62 Cb 0.85 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2dbd h ILE 62 CO 0.04 0.22 0.21 -0.07 0.00 0.00 0.00 178.15 178.55 2dbd h LEU 63 N 1.18 0.52 -0.61 1.44 3.38 -1.46 -1.66 115.31 118.10 2dbd h LEU 63 Ca 0.32 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2dbd h LEU 63 Cb -0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2dbd h LEU 63 CO -0.07 0.49 0.24 -0.78 0.09 0.00 0.00 178.44 178.41 2dbd h ASP 64 N 0.52 0.85 -0.63 -0.43 3.58 -1.14 -2.76 116.42 116.42 2dbd h ASP 64 Ca 0.14 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2dbd h ASP 64 Cb 0.10 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 2dbd h ASP 64 CO -0.02 0.80 0.40 -0.07 -2.88 0.00 0.00 179.24 177.47 2dbd h LEU 65 N 0.86 0.73 -1.92 2.28 3.38 -0.96 -1.82 115.31 117.86 2dbd h LEU 65 Ca 0.20 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2dbd h LEU 65 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2dbd h LEU 65 CO -0.02 0.55 0.07 0.58 0.09 0.00 0.00 178.44 179.72 2dbd h VAL 66 N 0.85 1.00 -0.07 1.22 2.07 -1.08 -0.83 116.25 119.42 2dbd h VAL 66 Ca 0.23 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.57 2dbd h VAL 66 Cb -0.07 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2dbd h VAL 66 CO -0.05 0.02 -0.59 1.56 0.02 0.00 0.00 177.57 178.53 2dbd h GLN 67 N 0.11 0.22 0.05 1.57 4.20 -1.06 -2.85 115.11 117.35 2dbd h GLN 67 Ca 0.04 -0.15 -0.23 0.00 0.06 0.00 0.00 58.65 58.37 2dbd h GLN 67 Cb 0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2dbd h GLN 67 CO -0.01 0.75 -1.05 1.03 -0.67 0.00 0.00 178.83 178.88 2dbd h SER 68 N 0.17 0.29 -0.13 1.46 0.87 -0.88 -3.31 113.55 112.01 2dbd h SER 68 Ca -0.00 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2dbd h SER 68 Cb 1.09 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2dbd h SER 68 CO 0.09 1.16 0.05 0.11 -0.53 0.00 0.00 176.83 177.71 2dbd h LYS 69 N 0.08 0.20 0.00 2.24 1.57 -1.15 -3.50 116.57 116.02 2dbd h LYS 69 Ca -0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2dbd h LYS 69 Cb 1.75 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.03 2dbd h LYS 69 CO 0.16 0.32 0.00 0.41 -0.57 0.00 0.00 179.45 179.77 2dbd n GLY 70 N -0.64 1.68 0.24 3.86 0.00 -1.08 -4.82 105.19 104.43 2dbd n GLY 70 Ca -0.05 -2.08 0.09 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.39 1.61 5.08 -1.90 -1.42 114.58 117.56 2dbd h GLU 71 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2dbd h GLU 71 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2dbd h GLU 71 CO 0.00 0.15 0.28 1.49 -1.00 0.00 0.00 179.01 179.93 2dbd h GLU 72 N 0.00 0.00 0.00 2.33 4.57 -1.95 -1.17 114.58 118.36 2dbd h GLU 72 Ca -0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 2dbd h GLU 72 Cb 0.31 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 2dbd h GLU 72 CO 0.02 0.00 -2.18 0.28 -1.18 0.00 0.00 179.01 175.95 2dbd n VAL 73 N -4.41 1.18 -0.35 0.32 0.31 -0.87 -4.25 118.33 110.26 2dbd n VAL 73 Ca 0.06 -0.71 -0.03 0.00 -0.01 0.00 0.00 64.34 63.66 2dbd n VAL 73 Cb 0.47 -0.60 0.11 0.00 -0.91 0.00 0.00 33.84 32.91 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 1.12 -0.39 4.52 0.87 -0.79 0.28 113.55 119.16 2dbd h SER 74 Ca -0.47 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 59.97 2dbd h SER 74 Cb 2.03 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.70 2dbd h SER 74 CO 0.02 0.85 -0.02 -0.08 -0.53 0.00 0.00 176.83 177.07 2dbd h GLU 75 N 1.30 0.70 -0.34 2.24 4.81 -1.45 -1.18 114.58 120.66 2dbd h GLU 75 Ca 0.34 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 2dbd h GLU 75 Cb -0.08 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2dbd h GLU 75 CO -0.07 0.81 -0.40 0.35 -0.73 0.00 0.00 179.01 178.97 2dbd h PHE 76 N 0.53 1.06 0.29 0.92 3.04 -1.65 -2.27 116.94 118.86 2dbd h PHE 76 Ca 0.11 -0.33 -0.01 0.00 3.98 0.00 0.00 57.97 61.71 2dbd h PHE 76 Cb 0.50 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.79 2dbd h PHE 76 CO 0.04 1.15 -0.14 0.35 -2.02 0.00 0.00 178.31 177.69 2dbd h PHE 77 N 0.67 -0.36 -0.12 0.41 3.57 -0.40 -2.33 116.94 118.39 2dbd h PHE 77 Ca 0.05 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2dbd h PHE 77 Cb 1.00 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2dbd h PHE 77 CO 0.07 -0.15 0.08 -0.07 -2.23 0.00 0.00 178.31 176.01 2dbd h LEU 78 N -0.51 0.11 -0.80 0.59 3.38 -1.27 -1.65 115.31 115.17 2dbd h LEU 78 Ca -0.04 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2dbd h LEU 78 Cb 0.38 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2dbd h LEU 78 CO 0.07 0.08 -0.12 0.22 0.09 0.00 0.00 178.44 178.77 2dbd h TYR 79 N 0.13 0.85 -0.69 1.13 3.20 -1.08 -2.82 116.97 117.69 2dbd h TYR 79 Ca 0.05 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.77 2dbd h TYR 79 Cb 0.03 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 2dbd h TYR 79 CO -0.00 0.85 0.45 -0.07 -1.64 0.00 0.00 178.16 177.75 2dbd h LEU 80 N 0.69 0.78 -1.87 2.82 3.38 -0.76 -1.32 115.31 119.04 2dbd h LEU 80 Ca 0.12 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2dbd h LEU 80 Cb 0.60 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2dbd h LEU 80 CO 0.04 0.56 0.06 -0.07 0.09 0.00 0.00 178.44 179.12 2dbd h LEU 81 N 0.91 0.13 -0.05 1.67 3.38 -1.46 0.26 115.31 120.14 2dbd h LEU 81 Ca 0.26 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2dbd h LEU 81 Cb -0.08 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.65 2dbd h LEU 81 CO -0.06 0.10 -0.45 -0.61 0.09 0.00 0.00 178.44 177.52 2dbd h GLN 82 N 0.15 0.39 -0.10 1.13 4.15 -1.29 0.04 115.11 119.58 2dbd h GLN 82 Ca 0.04 -0.35 -0.04 0.00 0.77 0.00 0.00 58.65 59.07 2dbd h GLN 82 Cb 0.01 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 2dbd h GLN 82 CO -0.01 1.01 -0.09 1.96 -1.93 0.00 0.00 178.83 179.77 2dbd h GLN 83 N -0.10 0.24 0.00 1.69 1.08 -1.15 -3.08 115.11 113.78 2dbd h GLN 83 Ca -0.04 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 2dbd h GLN 83 Cb 1.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2dbd h GLN 83 CO 0.09 0.65 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.49 2dbd h LEU 84 N -0.17 0.00 -2.00 1.46 3.38 -0.62 -3.08 115.31 114.29 2dbd h LEU 84 Ca 0.02 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2dbd h LEU 84 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2dbd h LEU 84 CO 0.02 0.06 0.41 0.00 0.09 0.00 0.00 178.44 179.02 2dbd h ALA 85 N 1.94 1.99 -0.42 1.53 0.00 -0.88 0.37 119.26 123.78 2dbd h ALA 85 Ca -0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2dbd h ALA 85 Cb 0.65 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2dbd h ALA 85 CO 0.01 -0.58 0.31 0.22 0.00 0.00 0.00 179.25 179.20 2dbd h ASP 86 N 0.00 0.00 0.02 0.00 1.82 -1.68 -2.76 116.42 113.82 2dbd h ASP 86 Ca 0.16 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.49 2dbd h ASP 86 Cb 0.98 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.95 2dbd h ASP 86 CO -0.00 0.00 -1.68 0.00 -1.61 0.00 0.00 179.24 175.94 2dbd n ALA 87 N -2.61 0.91 -1.75 -0.78 0.00 0.11 -4.94 120.51 111.45 2dbd n ALA 87 Ca 0.07 -0.64 -0.38 0.00 0.00 0.00 0.00 53.44 52.49 2dbd n ALA 87 Cb 0.51 -0.44 0.04 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.43 2.26 -0.22 0.00 2.02 -1.04 -4.96 117.35 112.98 2dbd s TYR 88 Ca -0.30 1.39 0.05 0.00 -0.37 0.00 0.00 57.07 57.84 2dbd s TYR 88 Cb 0.08 -3.79 -0.17 0.00 -0.40 0.00 0.00 41.96 37.68 2dbd s TYR 88 CO 0.61 -2.90 -0.14 1.33 -1.57 0.00 0.00 175.55 172.88 2dbd n VAL 89 N -1.13 1.30 0.07 0.71 0.24 -1.26 -4.49 118.33 113.77 2dbd n VAL 89 Ca 0.11 -0.57 -0.09 0.00 -2.04 0.00 0.00 64.34 61.76 2dbd n VAL 89 Cb 0.45 -1.13 0.03 0.00 -1.47 0.00 0.00 33.84 31.73 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 0.35 -3.04 -1.34 3.32 -1.93 -3.41 116.42 110.37 2dbd h ASP 90 Ca -0.51 -0.25 -0.58 0.00 0.02 0.00 0.00 57.03 55.71 2dbd h ASP 90 Cb 1.87 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 41.22 2dbd h ASP 90 CO -0.05 0.99 0.76 -0.76 -1.72 0.00 0.00 179.24 178.46 2dbd s LEU 91 N -7.74 3.80 0.02 1.55 1.43 -1.26 -4.32 118.68 112.17 2dbd s LEU 91 Ca -0.04 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2dbd s LEU 91 Cb 0.11 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2dbd s LEU 91 CO 0.83 -1.41 0.00 -1.14 0.23 0.00 0.00 176.35 174.86 2dbd n ARG 92 N 8.04 0.00 -0.19 1.70 0.63 -1.26 -4.80 116.66 120.78 2dbd n ARG 92 Ca 0.03 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.95 2dbd n ARG 92 Cb 0.48 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.60 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 0.95 0.11 -0.14 0.11 -1.90 -2.52 132.00 128.61 2dbd h PRO 93 Ca 0.00 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2dbd h PRO 93 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 2dbd h PRO 93 CO 0.00 0.72 -0.05 2.35 -0.21 0.00 0.00 178.00 180.81 2dbd h TRP 94 N 0.96 -0.14 -0.01 0.65 7.01 -1.94 -0.65 115.95 121.82 2dbd h TRP 94 Ca 0.24 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.26 2dbd h TRP 94 Cb 0.07 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 2dbd h TRP 94 CO 0.01 0.01 -0.18 -0.07 -2.79 0.00 0.00 178.44 175.41 2dbd h LEU 95 N -0.26 -0.54 -2.00 0.65 3.38 -1.91 0.20 115.31 114.83 2dbd h LEU 95 Ca -0.02 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dbd h LEU 95 Cb 0.21 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2dbd h LEU 95 CO 0.03 -0.24 -0.01 -0.07 0.09 0.00 0.00 178.44 178.23 2dbd h LEU 96 N -0.29 0.00 0.23 1.67 3.38 -1.41 0.11 115.31 119.00 2dbd h LEU 96 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dbd h LEU 96 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dbd h LEU 96 CO -0.18 0.01 -0.11 -0.33 0.09 0.00 0.00 178.44 177.92 2dbd h GLU 97 N 0.00 -0.29 -0.07 1.13 4.39 0.12 -3.29 114.58 116.57 2dbd h GLU 97 Ca -0.00 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.74 2dbd h GLU 97 Cb 0.02 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2dbd h GLU 97 CO 0.00 -0.20 0.07 -0.84 -1.16 0.00 0.00 179.01 176.89 2dbd h ILE 98 N -0.86 0.55 -4.98 3.13 3.07 -0.58 -3.47 117.51 114.37 2dbd h ILE 98 Ca -0.03 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.24 2dbd h ILE 98 Cb 0.23 0.94 0.11 0.00 -0.27 0.00 0.00 36.82 37.84 2dbd h ILE 98 CO 0.05 0.00 -0.47 0.61 -1.05 0.00 0.00 178.15 177.30 2dbd n GLY 99 N -1.37 -0.88 0.21 0.16 0.00 0.38 -4.97 105.19 98.71 2dbd n GLY 99 Ca -0.01 0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.46 -0.49 -3.81 1.61 3.57 -1.90 -3.41 116.94 112.06 2dbd h PHE 100 Ca -0.33 -0.01 -0.64 0.00 3.53 0.00 0.00 57.97 60.52 2dbd h PHE 100 Cb 1.17 0.16 -0.16 0.00 2.79 0.00 0.00 35.95 39.91 2dbd h PHE 100 CO 0.22 -0.30 -0.39 0.45 -2.23 0.00 0.00 178.31 176.05 2dbd s SER 101 N -2.76 6.12 -1.17 0.41 0.15 -1.26 -5.00 113.70 110.19 2dbd s SER 101 Ca -0.08 0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.60 2dbd s SER 101 Cb 0.01 -2.16 0.24 0.00 -1.71 0.00 0.00 66.02 62.40 2dbd s SER 101 CO 0.23 -0.13 1.71 -0.24 1.20 0.00 0.00 173.24 176.01 2dbd n SER 102 N 5.19 6.00 -4.06 5.45 2.88 -1.26 -4.96 113.62 122.85 2dbd n SER 102 Ca -0.11 -3.29 -0.14 0.00 -1.33 0.00 0.00 58.87 53.99 2dbd n SER 102 Cb 0.51 -1.35 -0.12 0.00 -0.75 0.00 0.00 64.21 62.50 2dbd n SER 102 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dbd s GLY 103 N -0.61 0.53 0.03 0.46 0.00 -1.26 -5.06 107.32 101.41 2dbd s GLY 103 Ca 0.36 -0.73 -0.20 0.00 0.00 0.00 0.00 44.72 44.15 2dbd s GLY 103 CO 0.05 -0.77 1.28 -0.56 0.00 0.00 0.00 173.10 173.09 2dbd h PRO 104 N 4.66 0.41 -3.93 2.90 0.13 -2.08 -3.45 132.00 130.64 2dbd h PRO 104 Ca -0.36 -0.27 -0.31 0.00 -0.87 0.00 0.00 66.00 64.20 2dbd h PRO 104 Cb 1.20 0.04 -0.31 0.00 0.13 0.00 0.00 31.00 32.06 2dbd h PRO 104 CO 0.42 0.87 -0.74 -1.12 -0.23 0.00 0.00 178.00 177.20 2dbd s SER 105 N -6.34 0.38 -0.30 1.44 0.01 -1.26 -5.13 113.70 102.51 2dbd s SER 105 Ca -0.14 -0.04 -0.16 0.00 1.31 0.00 0.00 55.95 56.92 2dbd s SER 105 Cb 0.05 -0.12 0.17 0.00 0.21 0.00 0.00 66.02 66.33 2dbd s SER 105 CO 0.78 -0.02 1.06 -0.44 0.41 0.00 0.00 173.24 175.03 2dbd s SER 106 N 0.36 -0.41 0.00 2.44 0.01 -1.26 -5.20 113.70 109.64 2dbd s SER 106 Ca -0.03 0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2dbd s SER 106 Cb -0.06 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.48 2dbd s SER 106 CO -0.01 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.16