#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tgj n LEU 2 N 0.00 6.94 -5.00 0.00 4.77 -1.26 -4.54 117.00 117.91 1tgj n LEU 2 Ca 0.00 -4.16 -0.21 0.00 -0.03 0.00 0.00 56.01 51.61 1tgj n LEU 2 Cb 0.00 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 39.79 1tgj n LEU 2 CO 0.00 1.86 0.27 1.51 -1.33 0.00 0.00 177.39 179.70 1tgj s ASP 3 N 0.88 4.99 0.27 -1.43 -4.77 -1.26 -1.24 116.67 114.11 1tgj s ASP 3 Ca 0.60 -0.95 -0.01 0.00 -3.30 0.00 0.00 52.55 48.90 1tgj s ASP 3 Cb 0.29 0.33 0.46 0.00 -1.09 0.00 0.00 42.92 42.91 1tgj s ASP 3 CO -0.13 -1.29 1.87 0.71 0.70 0.00 0.00 175.17 177.04 1tgj h THR 4 N 0.32 1.03 0.52 2.11 1.35 -1.49 -1.41 112.91 115.34 1tgj h THR 4 Ca -0.31 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.14 1tgj h THR 4 Cb 1.29 -0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 1tgj h THR 4 CO 0.45 0.20 -0.38 0.78 -0.25 0.00 0.00 175.52 176.32 1tgj h ASN 5 N 1.12 -1.00 0.64 5.36 4.21 -1.93 0.87 115.58 124.84 1tgj h ASN 5 Ca 0.45 0.07 -0.03 0.00 1.21 0.00 0.00 56.30 58.00 1tgj h ASN 5 Cb 0.27 0.31 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1tgj h ASN 5 CO -0.20 -0.55 -0.35 0.22 -1.29 0.00 0.00 177.43 175.26 1tgj h TYR 6 N -0.86 -0.92 -0.90 1.19 3.20 -1.77 -2.71 116.97 114.20 1tgj h TYR 6 Ca -0.07 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1tgj h TYR 6 Cb 0.71 0.32 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 1tgj h TYR 6 CO -0.12 -0.55 0.59 0.00 -1.64 0.00 0.00 178.16 176.44 1tgj h PHE 8 N 1.15 0.00 0.00 0.00 -1.00 -0.82 -3.15 116.94 113.12 1tgj h PHE 8 Ca 0.35 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.13 1tgj h PHE 8 Cb -0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.55 1tgj h PHE 8 CO -0.00 0.57 -0.50 0.54 -1.61 0.00 0.00 178.31 177.31 1tgj n ARG 9 N -3.44 0.06 -4.79 1.51 5.12 -1.03 -4.88 116.66 109.21 1tgj n ARG 9 Ca 0.00 0.01 -0.26 0.00 -1.93 0.00 0.00 57.85 55.68 1tgj n ARG 9 Cb 0.68 -1.53 -0.15 0.00 -1.16 0.00 0.00 32.46 30.30 1tgj n ARG 9 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1tgj s ASN 10 N -3.23 2.45 -0.94 0.55 -0.87 -0.69 -5.06 114.94 107.15 1tgj s ASN 10 Ca 0.10 -0.46 -0.22 0.00 -1.57 0.00 0.00 52.86 50.71 1tgj s ASN 10 Cb 0.17 -0.23 0.08 0.00 -0.02 0.00 0.00 41.25 41.25 1tgj s ASN 10 CO 0.69 0.20 1.29 -0.76 -2.57 0.00 0.00 177.10 175.95 1tgj s LEU 11 N -0.89 4.10 -0.23 0.60 1.43 -1.26 -4.75 118.68 117.68 1tgj s LEU 11 Ca 0.08 -1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 51.51 1tgj s LEU 11 Cb -0.08 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1tgj s LEU 11 CO 0.01 -1.37 0.15 -0.70 0.23 0.00 0.00 176.35 174.67 1tgj s GLU 12 N 4.14 4.10 0.00 1.70 2.56 -1.26 -4.99 118.70 124.96 1tgj s GLU 12 Ca 0.39 -0.25 -0.11 0.00 0.00 0.00 0.00 54.97 54.99 1tgj s GLU 12 Cb -0.03 -3.51 -0.32 0.00 2.00 0.00 0.00 34.13 32.27 1tgj s GLU 12 CO -0.07 0.13 0.87 1.49 -0.56 0.00 0.00 175.26 177.12 1tgj h GLU 13 N 7.28 0.43 -7.61 4.30 4.81 -1.97 -3.47 114.58 118.34 1tgj h GLU 13 Ca -0.39 -0.73 -0.46 0.00 -0.13 0.00 0.00 59.36 57.65 1tgj h GLU 13 Cb 1.16 0.27 0.11 0.00 0.63 0.00 0.00 28.75 30.93 1tgj h GLU 13 CO 0.69 1.33 0.38 -0.80 -0.73 0.00 0.00 179.01 179.88 1tgj s ASN 14 N -7.36 4.22 -0.29 1.04 0.01 -1.26 -4.24 114.94 107.05 1tgj s ASN 14 Ca -0.11 0.59 -0.31 0.00 -0.71 0.00 0.00 52.86 52.32 1tgj s ASN 14 Cb 0.05 -1.00 -0.13 0.00 0.41 0.00 0.00 41.25 40.58 1tgj s ASN 14 CO 0.90 -2.06 1.03 0.00 -1.51 0.00 0.00 177.10 175.46 1tgj s VAL 17 N -3.46 4.03 0.08 0.00 1.01 -1.26 -2.49 120.40 118.31 1tgj s VAL 17 Ca 0.09 1.82 0.10 0.00 0.00 0.00 0.00 61.98 63.99 1tgj s VAL 17 Cb -0.02 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1tgj s VAL 17 CO -0.01 0.34 -0.26 -0.13 0.00 0.00 0.00 175.10 175.05 1tgj s ARG 18 N -0.57 1.56 0.37 2.72 1.81 0.76 -4.68 118.95 120.93 1tgj s ARG 18 Ca 0.46 -1.18 -0.25 0.00 -1.72 0.00 0.00 55.73 53.04 1tgj s ARG 18 Cb -0.27 -1.85 -0.09 0.00 -0.45 0.00 0.00 34.95 32.29 1tgj s ARG 18 CO 0.34 0.46 1.07 -2.14 -0.68 0.00 0.00 175.30 174.35 1tgj s PRO 19 N -1.57 4.25 -0.27 3.54 0.02 -1.26 -1.77 135.00 137.94 1tgj s PRO 19 Ca 0.12 1.62 -0.06 0.00 0.02 0.00 0.00 61.00 62.70 1tgj s PRO 19 Cb -0.10 -2.70 0.14 0.00 0.02 0.00 0.00 34.50 31.87 1tgj s PRO 19 CO 0.04 -0.09 0.56 -1.17 -0.33 0.00 0.00 177.00 176.00 1tgj s LEU 20 N -2.37 -1.06 -0.16 -5.54 2.96 -1.26 -4.80 118.68 106.45 1tgj s LEU 20 Ca 0.55 1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 55.41 1tgj s LEU 20 Cb -0.25 1.94 -0.05 0.00 0.50 0.00 0.00 46.19 48.33 1tgj s LEU 20 CO 0.32 -0.24 0.26 -0.47 -1.32 0.00 0.00 176.35 174.89 1tgj s TYR 21 N 2.79 3.47 -0.12 5.38 5.04 -1.26 -1.01 117.35 131.63 1tgj s TYR 21 Ca 0.05 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.28 1tgj s TYR 21 Cb -0.13 -2.29 0.01 0.00 0.35 0.00 0.00 41.96 39.89 1tgj s TYR 21 CO -0.18 0.29 -0.23 0.42 -1.34 0.00 0.00 175.55 174.51 1tgj s ILE 22 N 0.32 2.04 -0.27 3.14 1.01 0.29 -4.95 121.20 122.78 1tgj s ILE 22 Ca 0.15 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.64 1tgj s ILE 22 Cb -0.13 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1tgj s ILE 22 CO 0.03 0.55 0.49 -0.62 0.00 0.00 0.00 174.94 175.39 1tgj s ASP 23 N 0.60 6.39 0.11 3.58 -1.08 -1.26 -1.38 116.67 123.62 1tgj s ASP 23 Ca -0.12 0.43 -0.33 0.00 -0.52 0.00 0.00 52.55 52.01 1tgj s ASP 23 Cb -0.17 -2.27 -0.12 0.00 -1.46 0.00 0.00 42.92 38.90 1tgj s ASP 23 CO 0.03 -0.29 1.58 -0.26 0.52 0.00 0.00 175.17 176.75 1tgj h PHE 24 N 8.09 -1.28 0.27 -5.34 0.04 -1.67 0.19 116.94 117.24 1tgj h PHE 24 Ca -0.29 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 1tgj h PHE 24 Cb 1.14 0.53 0.00 0.00 2.20 0.00 0.00 35.95 39.83 1tgj h PHE 24 CO 0.75 -0.56 -0.13 -0.09 -0.60 0.00 0.00 178.31 177.68 1tgj h ARG 25 N -0.74 -0.35 0.14 1.51 2.43 -1.78 -0.40 114.38 115.19 1tgj h ARG 25 Ca -0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1tgj h ARG 25 Cb 0.73 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1tgj h ARG 25 CO -0.21 -0.03 -0.06 1.96 -1.51 0.00 0.00 179.97 180.12 1tgj h GLN 26 N -0.70 -0.17 0.16 0.20 1.08 -1.93 -2.01 115.11 111.74 1tgj h GLN 26 Ca -0.04 0.01 -0.31 0.00 -1.45 0.00 0.00 58.65 56.87 1tgj h GLN 26 Cb 0.48 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.96 1tgj h GLN 26 CO 0.06 0.02 -1.44 -0.44 -0.95 0.00 0.00 178.83 176.09 1tgj h ASP 27 N -0.35 0.52 0.00 1.46 3.32 -0.75 -3.40 116.42 117.22 1tgj h ASP 27 Ca -0.02 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1tgj h ASP 27 Cb 0.28 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1tgj h ASP 27 CO 0.03 1.50 -1.20 0.18 -1.72 0.00 0.00 179.24 178.03 1tgj n LEU 28 N -3.55 0.14 0.00 1.55 4.77 -0.51 -4.99 117.00 114.40 1tgj n LEU 28 Ca -0.14 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1tgj n LEU 28 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1tgj n LEU 28 CO 0.54 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1tgj n GLY 29 N 1.71 0.50 2.48 -0.72 0.00 -0.28 -4.93 105.19 103.95 1tgj n GLY 29 Ca -0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1tgj n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tgj n TRP 30 N -2.92 2.85 0.29 1.61 7.02 -0.67 -4.70 117.44 120.92 1tgj n TRP 30 Ca 0.00 -3.04 0.19 0.00 -1.02 0.00 0.00 57.50 53.63 1tgj n TRP 30 Cb 0.00 -2.49 0.97 0.00 -2.42 0.00 0.00 31.31 27.37 1tgj n TRP 30 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1tgj h LYS 31 N 5.37 0.00 0.00 -0.99 2.10 -1.85 -2.00 116.57 119.20 1tgj h LYS 31 Ca 0.75 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.39 1tgj h LYS 31 Cb 0.42 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1tgj h LYS 31 CO 1.81 0.00 -0.05 0.11 -2.00 0.00 0.00 179.45 179.33 1tgj h TRP 32 N 0.00 0.00 -3.15 0.07 0.09 -1.92 -3.44 115.95 107.59 1tgj h TRP 32 Ca 0.03 0.00 -0.54 0.00 0.09 0.00 0.00 58.89 58.47 1tgj h TRP 32 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.57 1tgj h TRP 32 CO 0.00 0.05 0.60 0.08 0.09 0.00 0.00 178.44 179.25 1tgj s VAL 33 N -3.47 3.97 -0.24 0.12 1.01 -0.75 -2.58 120.40 118.45 1tgj s VAL 33 Ca 0.03 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1tgj s VAL 33 Cb 0.08 -3.90 -0.17 0.00 0.00 0.00 0.00 36.38 32.39 1tgj s VAL 33 CO 0.61 0.10 -0.20 1.41 0.00 0.00 0.00 175.10 177.02 1tgj n HIS 34 N 4.08 0.00 -3.72 5.22 8.25 0.74 -4.93 115.22 124.85 1tgj n HIS 34 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.44 1tgj n HIS 34 Cb 0.46 -0.96 -0.12 0.00 1.12 0.00 0.00 29.99 30.49 1tgj n HIS 34 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1tgj s GLU 35 N -2.50 0.32 0.84 -0.41 0.41 -0.81 -4.41 118.70 112.15 1tgj s GLU 35 Ca -0.32 0.61 -0.13 0.00 -0.41 0.00 0.00 54.97 54.73 1tgj s GLU 35 Cb 0.08 -0.01 0.11 0.00 -1.78 0.00 0.00 34.13 32.54 1tgj s GLU 35 CO 0.59 -0.13 1.21 -1.25 -0.49 0.00 0.00 175.26 175.19 1tgj s PRO 36 N 1.04 1.66 0.25 0.39 0.04 -1.26 0.04 135.00 137.15 1tgj s PRO 36 Ca -0.07 -0.00 0.13 0.00 0.04 0.00 0.00 61.00 61.09 1tgj s PRO 36 Cb -0.08 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.67 1tgj s PRO 36 CO -0.08 -1.79 1.47 0.87 0.04 0.00 0.00 177.00 177.51 1tgj h LYS 37 N -1.19 0.00 0.00 4.56 1.79 -1.94 -3.47 116.57 116.32 1tgj h LYS 37 Ca -0.46 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.95 1tgj h LYS 37 Cb 1.31 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1tgj h LYS 37 CO 0.60 0.65 0.22 0.41 -1.08 0.00 0.00 179.45 180.24 1tgj n GLY 38 N 0.95 1.14 3.75 3.86 0.00 -1.26 -1.68 105.19 111.95 1tgj n GLY 38 Ca 0.01 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 44.65 1tgj n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tgj s TYR 39 N -2.35 -0.24 -0.70 1.61 1.13 -0.48 -4.97 117.35 111.35 1tgj s TYR 39 Ca 0.17 -0.13 -0.19 0.00 -1.41 0.00 0.00 57.07 55.52 1tgj s TYR 39 Cb -0.04 0.66 0.12 0.00 -1.10 0.00 0.00 41.96 41.60 1tgj s TYR 39 CO 0.13 -1.04 0.83 0.71 -2.51 0.00 0.00 175.55 173.67 1tgj s TYR 40 N -3.68 3.09 0.12 -3.49 2.02 -1.26 -0.55 117.35 113.60 1tgj s TYR 40 Ca 0.09 -1.15 -0.10 0.00 -0.37 0.00 0.00 57.07 55.54 1tgj s TYR 40 Cb -0.04 -4.07 -0.10 0.00 -0.40 0.00 0.00 41.96 37.34 1tgj s TYR 40 CO 0.02 -1.33 1.34 0.00 -1.57 0.00 0.00 175.55 174.00 1tgj h ALA 41 N 8.96 0.38 -2.51 3.71 0.00 -1.33 -3.43 119.26 125.04 1tgj h ALA 41 Ca -0.15 -0.60 0.28 0.00 0.00 0.00 0.00 54.91 54.44 1tgj h ALA 41 Cb 1.07 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.72 1tgj h ALA 41 CO 1.06 0.70 -0.66 0.09 0.00 0.00 0.00 179.25 180.45 1tgj n ASN 42 N -3.91 -6.48 -3.82 0.00 5.03 -1.01 -1.43 115.26 103.64 1tgj n ASN 42 Ca -0.07 0.75 -0.08 0.00 0.87 0.00 0.00 54.58 56.05 1tgj n ASN 42 Cb 0.74 -3.48 -0.03 0.00 -1.02 0.00 0.00 39.78 36.00 1tgj n ASN 42 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1tgj s PHE 43 N -2.89 -0.12 -0.13 3.10 -0.71 -0.73 -4.72 117.98 111.78 1tgj s PHE 43 Ca 0.00 -0.28 -0.02 0.00 -1.04 0.00 0.00 56.93 55.60 1tgj s PHE 43 Cb 0.00 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1tgj s PHE 43 CO 0.00 -1.11 -0.08 0.00 -1.34 0.00 0.00 175.22 172.69 1tgj s SER 45 N 0.18 -0.30 0.00 0.00 1.04 -1.04 -4.78 113.70 108.80 1tgj s SER 45 Ca -0.04 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1tgj s SER 45 Cb -0.14 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1tgj s SER 45 CO 0.04 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1tgj n GLY 46 N 0.34 3.64 3.57 7.32 0.00 -1.26 -2.16 105.19 116.63 1tgj n GLY 46 Ca -0.18 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 1tgj n GLY 46 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1tgj n PRO 47 N -1.04 0.46 -3.70 1.61 -0.02 -1.26 -3.46 135.00 127.59 1tgj n PRO 47 Ca 0.00 0.21 -0.28 0.00 -2.02 0.00 0.00 63.50 61.41 1tgj n PRO 47 Cb 0.00 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 1tgj n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tgj s PRO 49 N -1.82 0.31 -0.15 0.00 0.04 -1.26 -4.68 135.00 127.43 1tgj s PRO 49 Ca 0.31 0.71 -0.39 0.00 0.04 0.00 0.00 61.00 61.67 1tgj s PRO 49 Cb 0.04 -1.71 -0.16 0.00 0.04 0.00 0.00 34.50 32.71 1tgj s PRO 49 CO -0.11 -2.86 1.62 0.98 0.04 0.00 0.00 177.00 176.67 1tgj n TYR 50 N -4.29 1.90 -0.67 0.56 9.36 -1.26 -2.10 117.16 120.66 1tgj n TYR 50 Ca 0.05 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.82 1tgj n TYR 50 Cb 0.56 -2.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 1tgj n TYR 50 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1tgj n LEU 51 N 4.53 0.06 -4.60 2.98 4.77 -1.26 -5.00 117.00 118.47 1tgj n LEU 51 Ca 0.24 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.79 1tgj n LEU 51 Cb 0.16 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1tgj n LEU 51 CO 0.75 -0.03 1.17 -0.60 -1.33 0.00 0.00 177.39 177.35 1tgj s ARG 52 N -0.06 3.57 -1.57 3.23 3.52 -0.89 -4.09 118.95 122.66 1tgj s ARG 52 Ca 0.00 0.71 -0.05 0.00 -0.13 0.00 0.00 55.73 56.26 1tgj s ARG 52 Cb 0.00 -4.00 0.05 0.00 -1.56 0.00 0.00 34.95 29.43 1tgj s ARG 52 CO 0.00 -1.58 0.28 0.43 -0.81 0.00 0.00 175.30 173.62 1tgj n SER 53 N 8.63 -0.22 -4.68 -2.12 7.64 -1.26 -4.25 113.62 117.36 1tgj n SER 53 Ca 0.14 -1.17 -0.42 0.00 1.01 0.00 0.00 58.87 58.43 1tgj n SER 53 Cb 0.49 -2.14 -0.03 0.00 -1.01 0.00 0.00 64.21 61.52 1tgj n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tgj s ALA 54 N -4.00 3.67 0.00 -0.43 0.00 -1.26 -0.87 121.76 118.87 1tgj s ALA 54 Ca 0.19 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 53.10 1tgj s ALA 54 Cb -0.11 -3.72 -0.18 0.00 0.00 0.00 0.00 23.12 19.11 1tgj s ALA 54 CO 0.96 -1.19 1.32 0.22 0.00 0.00 0.00 175.76 177.07 1tgj h ASP 55 N 8.71 -0.09 -3.23 0.00 3.58 -1.51 -3.48 116.42 120.41 1tgj h ASP 55 Ca -0.43 -0.33 -0.19 0.00 0.42 0.00 0.00 57.03 56.50 1tgj h ASP 55 Cb 1.20 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.23 1tgj h ASP 55 CO 0.94 0.29 -0.17 0.35 -2.88 0.00 0.00 179.24 177.77 1tgj n THR 56 N -4.96 0.00 -0.11 2.25 -2.24 -1.26 -5.00 114.28 102.96 1tgj n THR 56 Ca -0.08 -0.88 -0.10 0.00 -2.27 0.00 0.00 64.05 60.71 1tgj n THR 56 Cb 0.22 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1tgj n THR 56 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1tgj h THR 57 N 1.31 1.24 -0.84 4.28 2.02 -1.99 -1.78 112.91 117.15 1tgj h THR 57 Ca -0.10 -0.87 0.09 0.00 0.77 0.00 0.00 66.41 66.29 1tgj h THR 57 Cb 0.44 1.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 1tgj h THR 57 CO 0.16 0.29 0.49 -0.74 0.37 0.00 0.00 175.52 176.09 1tgj h HIS 58 N 0.38 0.90 -0.67 3.16 -0.00 -1.99 0.13 115.15 117.05 1tgj h HIS 58 Ca 0.10 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 1tgj h HIS 58 Cb 0.39 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.49 1tgj h HIS 58 CO 0.03 0.39 0.44 0.77 -0.00 0.00 0.00 177.93 179.55 1tgj h SER 59 N 0.84 0.78 -0.29 3.26 0.02 -1.82 0.37 113.55 116.71 1tgj h SER 59 Ca 0.39 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 1tgj h SER 59 Cb 0.32 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1tgj h SER 59 CO -0.23 0.58 0.06 0.74 -1.14 0.00 0.00 176.83 176.85 1tgj h THR 60 N 0.92 1.22 -0.48 -2.27 2.02 -0.21 -0.36 112.91 113.76 1tgj h THR 60 Ca 0.25 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 1tgj h THR 60 Cb -0.08 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1tgj h THR 60 CO -0.05 0.24 -0.04 0.58 0.37 0.00 0.00 175.52 176.63 1tgj h VAL 61 N 0.31 1.27 -0.23 3.16 2.07 -0.60 -2.96 116.25 119.26 1tgj h VAL 61 Ca 0.09 -1.13 -0.12 0.00 0.82 0.00 0.00 66.70 66.36 1tgj h VAL 61 Cb 0.31 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1tgj h VAL 61 CO 0.00 0.39 -0.38 -0.07 0.02 0.00 0.00 177.57 177.54 1tgj h LEU 62 N 0.73 0.55 -1.32 2.57 -0.00 -0.88 -0.74 115.31 116.21 1tgj h LEU 62 Ca 0.13 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 1tgj h LEU 62 Cb 0.56 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 1tgj h LEU 62 CO 0.03 0.87 0.26 1.23 -0.00 0.00 0.00 178.44 180.84 1tgj h GLY 63 N 1.07 0.78 0.69 0.83 0.00 -0.97 0.15 103.07 105.62 1tgj h GLY 63 Ca 0.04 -0.35 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1tgj h GLY 63 CO 0.07 0.33 -0.48 -2.00 0.00 0.00 0.00 176.54 174.47 1tgj h LEU 64 N 0.73 0.44 -0.48 3.11 5.85 -1.35 -3.00 115.31 120.61 1tgj h LEU 64 Ca 0.18 -0.75 0.03 0.00 0.84 0.00 0.00 57.88 58.18 1tgj h LEU 64 Cb 0.06 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1tgj h LEU 64 CO -0.03 1.13 0.27 0.22 -0.34 0.00 0.00 178.44 179.70 1tgj h TYR 65 N -0.21 0.50 -0.36 1.25 3.20 -0.77 -1.71 116.97 118.87 1tgj h TYR 65 Ca -0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1tgj h TYR 65 Cb 1.20 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 1tgj h TYR 65 CO 0.15 0.28 0.12 -0.97 -1.64 0.00 0.00 178.16 176.11 1tgj h ASN 66 N 0.54 0.46 -0.47 -2.11 -0.73 -0.80 0.69 115.58 113.16 1tgj h ASN 66 Ca 0.20 -0.05 -0.08 0.00 1.87 0.00 0.00 56.30 58.24 1tgj h ASN 66 Cb 0.05 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 1tgj h ASN 66 CO -0.11 0.44 0.01 0.74 -0.37 0.00 0.00 177.43 178.14 1tgj h THR 67 N 0.51 1.25 0.00 -3.57 2.02 -1.17 -1.85 112.91 110.11 1tgj h THR 67 Ca 0.12 -1.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.10 1tgj h THR 67 Cb 0.14 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1tgj h THR 67 CO -0.01 0.37 -1.36 -0.07 0.37 0.00 0.00 175.52 174.82 1tgj h LEU 68 N 0.82 0.00 -5.91 2.58 3.38 -1.19 -3.39 115.31 111.60 1tgj h LEU 68 Ca 0.16 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.56 1tgj h LEU 68 Cb 0.47 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.82 1tgj h LEU 68 CO 0.02 0.55 -0.83 0.59 0.09 0.00 0.00 178.44 178.86 1tgj n ASN 69 N -2.89 2.55 0.09 -0.43 4.13 0.21 -4.94 115.26 113.98 1tgj n ASN 69 Ca -0.09 -3.24 0.09 0.00 1.68 0.00 0.00 54.58 53.02 1tgj n ASN 69 Cb 0.82 -0.63 0.40 0.00 -1.54 0.00 0.00 39.78 38.83 1tgj n ASN 69 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1tgj n PRO 70 N 0.65 0.11 0.16 3.52 -0.04 -0.70 -2.43 135.00 136.27 1tgj n PRO 70 Ca 0.27 0.48 0.07 0.00 -0.04 0.00 0.00 63.50 64.27 1tgj n PRO 70 Cb 0.48 -1.77 0.07 0.00 -0.04 0.00 0.00 33.50 32.24 1tgj n PRO 70 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1tgj h GLU 71 N 0.00 0.00 0.00 0.54 9.09 -1.92 -3.24 114.58 119.05 1tgj h GLU 71 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1tgj h GLU 71 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1tgj h GLU 71 CO 0.00 0.26 0.00 0.00 0.05 0.00 0.00 179.01 179.32 1tgj h ALA 72 N 1.72 1.00 -3.63 1.06 0.00 -1.86 -3.46 119.26 114.09 1tgj h ALA 72 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 1tgj h ALA 72 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1tgj h ALA 72 CO 0.03 0.00 -0.54 0.43 0.00 0.00 0.00 179.25 179.17 1tgj n SER 73 N -2.75 -5.75 -4.05 0.00 7.64 -1.22 -4.91 113.62 102.58 1tgj n SER 73 Ca 0.02 -0.10 -0.39 0.00 1.01 0.00 0.00 58.87 59.41 1tgj n SER 73 Cb 0.31 -4.74 -0.03 0.00 -1.01 0.00 0.00 64.21 58.74 1tgj n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tgj n ALA 74 N -2.58 4.38 -2.52 -0.43 0.00 -1.26 -5.03 120.51 113.08 1tgj n ALA 74 Ca -0.19 -4.71 -0.30 0.00 0.00 0.00 0.00 53.44 48.25 1tgj n ALA 74 Cb 0.66 -2.00 -0.11 0.00 0.00 0.00 0.00 19.45 17.99 1tgj n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1tgj s SER 75 N -0.57 4.08 0.72 0.00 0.15 -1.26 -4.20 113.70 112.61 1tgj s SER 75 Ca 0.31 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.35 1tgj s SER 75 Cb -0.01 -0.67 0.03 0.00 -1.71 0.00 0.00 66.02 63.66 1tgj s SER 75 CO -0.03 0.19 1.13 -2.84 1.20 0.00 0.00 173.24 172.89 1tgj s PRO 76 N -2.10 2.39 0.12 5.44 0.02 -1.26 -5.03 135.00 134.58 1tgj s PRO 76 Ca 0.19 1.44 0.09 0.00 0.02 0.00 0.00 61.00 62.74 1tgj s PRO 76 Cb -0.11 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1tgj s PRO 76 CO 0.11 -1.58 -0.16 0.00 -0.33 0.00 0.00 177.00 175.04 1tgj s VAL 79 N 4.63 0.58 0.62 0.00 -7.23 -0.27 -4.52 120.40 114.22 1tgj s VAL 79 Ca 0.53 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 58.56 1tgj s VAL 79 Cb -0.11 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 1tgj s VAL 79 CO 0.28 -0.58 1.26 -2.65 -0.31 0.00 0.00 175.10 173.10 1tgj n PRO 80 N -0.16 1.19 0.03 4.82 -0.02 -1.26 -0.58 135.00 139.02 1tgj n PRO 80 Ca -0.08 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1tgj n PRO 80 Cb 0.63 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1tgj n PRO 80 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1tgj n GLN 81 N -1.60 0.00 -4.12 -0.52 7.27 0.17 -4.65 117.38 113.93 1tgj n GLN 81 Ca 0.15 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.87 1tgj n GLN 81 Cb 0.47 -0.28 -0.10 0.00 2.41 0.00 0.00 30.24 32.74 1tgj n GLN 81 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1tgj s ASP 82 N -5.53 5.38 0.23 1.69 1.01 -1.19 -4.96 116.67 113.29 1tgj s ASP 82 Ca 0.00 0.02 0.09 0.00 0.71 0.00 0.00 52.55 53.36 1tgj s ASP 82 Cb 0.00 -1.91 -0.05 0.00 1.01 0.00 0.00 42.92 41.97 1tgj s ASP 82 CO 0.00 0.17 -0.15 -0.76 0.21 0.00 0.00 175.17 174.65 1tgj s LEU 83 N 0.37 2.56 0.10 1.23 1.02 -1.26 0.11 118.68 122.81 1tgj s LEU 83 Ca 0.01 -1.04 0.05 0.00 0.02 0.00 0.00 54.13 53.16 1tgj s LEU 83 Cb -0.13 -0.77 -0.03 0.00 0.02 0.00 0.00 46.19 45.28 1tgj s LEU 83 CO 0.01 -0.14 -0.12 -1.61 0.02 0.00 0.00 176.35 174.51 1tgj s GLU 84 N -3.62 0.88 0.88 1.70 2.02 0.68 -4.85 118.70 116.38 1tgj s GLU 84 Ca 0.25 -1.13 -0.12 0.00 0.02 0.00 0.00 54.97 53.99 1tgj s GLU 84 Cb -0.01 -0.68 0.12 0.00 0.10 0.00 0.00 34.13 33.66 1tgj s GLU 84 CO 0.09 0.12 1.16 -1.25 0.02 0.00 0.00 175.26 175.41 1tgj s PRO 85 N -2.51 1.38 -0.03 0.39 0.04 -1.26 -1.01 135.00 132.00 1tgj s PRO 85 Ca 0.04 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1tgj s PRO 85 Cb -0.05 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1tgj s PRO 85 CO 0.01 -2.01 0.00 -1.17 0.04 0.00 0.00 177.00 173.88 1tgj s LEU 86 N -5.88 1.17 -0.17 -3.56 2.96 0.80 -4.73 118.68 109.28 1tgj s LEU 86 Ca 0.64 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 54.41 1tgj s LEU 86 Cb -0.13 -0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.31 1tgj s LEU 86 CO 0.52 -0.10 0.24 -0.89 -1.32 0.00 0.00 176.35 174.79 1tgj s THR 87 N 1.01 5.34 0.16 3.68 2.01 -1.26 0.51 115.64 127.09 1tgj s THR 87 Ca -0.10 0.43 0.06 0.00 0.31 0.00 0.00 61.69 62.38 1tgj s THR 87 Cb -0.13 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1tgj s THR 87 CO -0.02 0.42 -0.12 0.27 -0.69 0.00 0.00 174.62 174.49 1tgj s ILE 88 N 0.30 1.36 -0.15 1.82 -4.36 0.23 -4.62 121.20 115.78 1tgj s ILE 88 Ca 0.14 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1tgj s ILE 88 Cb -0.12 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 41.73 1tgj s ILE 88 CO 0.02 -0.67 -0.17 -0.22 0.24 0.00 0.00 174.94 174.15 1tgj s LEU 89 N -3.15 1.84 0.17 0.37 2.96 0.11 -1.23 118.68 119.75 1tgj s LEU 89 Ca 0.18 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1tgj s LEU 89 Cb 0.01 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 1tgj s LEU 89 CO 0.03 -0.02 0.04 -0.72 -1.32 0.00 0.00 176.35 174.36 1tgj s TYR 90 N 1.29 1.13 0.04 5.38 1.13 -0.58 -0.19 117.35 125.55 1tgj s TYR 90 Ca 0.02 -1.14 0.06 0.00 -1.41 0.00 0.00 57.07 54.60 1tgj s TYR 90 Cb -0.13 -0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 40.06 1tgj s TYR 90 CO -0.09 -0.37 -0.15 0.71 -2.51 0.00 0.00 175.55 173.14 1tgj s TYR 91 N -3.84 2.64 -0.41 -3.49 1.51 -1.06 -0.21 117.35 112.49 1tgj s TYR 91 Ca 0.27 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 1tgj s TYR 91 Cb 0.07 -1.49 0.11 0.00 -0.11 0.00 0.00 41.96 40.54 1tgj s TYR 91 CO 0.05 0.29 0.13 0.08 -1.11 0.00 0.00 175.55 174.99 1tgj s VAL 92 N -0.95 2.27 0.00 0.71 1.01 -0.41 -4.93 120.40 118.10 1tgj s VAL 92 Ca 0.15 -2.65 0.00 0.00 0.00 0.00 0.00 61.98 59.48 1tgj s VAL 92 Cb -0.11 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1tgj s VAL 92 CO 0.06 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.08 1tgj n GLY 93 N 3.85 1.68 0.07 4.51 0.00 -1.26 -1.99 105.19 112.04 1tgj n GLY 93 Ca 0.04 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.79 1tgj n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tgj n ARG 94 N 0.68 1.80 -3.72 1.61 5.12 -1.26 -5.01 116.66 115.88 1tgj n ARG 94 Ca 0.00 -1.88 -0.36 0.00 -1.93 0.00 0.00 57.85 53.69 1tgj n ARG 94 Cb 0.00 -1.15 -0.09 0.00 -1.16 0.00 0.00 32.46 30.06 1tgj n ARG 94 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1tgj s THR 95 N -1.69 5.33 0.29 0.55 2.01 -0.84 -5.09 115.64 116.20 1tgj s THR 95 Ca 0.14 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.05 1tgj s THR 95 Cb 0.12 -3.45 -0.09 0.00 0.01 0.00 0.00 72.50 69.09 1tgj s THR 95 CO 0.01 0.40 0.91 -2.16 -0.69 0.00 0.00 174.62 173.09 1tgj s PRO 96 N 0.67 4.58 -0.06 4.92 0.04 -1.26 -1.28 135.00 142.60 1tgj s PRO 96 Ca 0.07 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.40 1tgj s PRO 96 Cb -0.12 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.55 1tgj s PRO 96 CO 0.01 0.34 -0.06 0.15 0.04 0.00 0.00 177.00 177.47 1tgj s LYS 97 N -1.90 1.11 -0.22 4.56 -0.14 0.71 -4.94 119.74 118.92 1tgj s LYS 97 Ca 0.48 -0.17 -0.04 0.00 -1.36 0.00 0.00 55.97 54.87 1tgj s LYS 97 Cb -0.19 -1.11 -0.01 0.00 -1.68 0.00 0.00 37.83 34.84 1tgj s LYS 97 CO 0.24 -0.12 -0.03 0.08 -0.76 0.00 0.00 175.35 174.77 1tgj s VAL 98 N 1.13 3.51 0.02 3.17 1.01 -1.26 -1.53 120.40 126.45 1tgj s VAL 98 Ca -0.07 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1tgj s VAL 98 Cb -0.14 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1tgj s VAL 98 CO -0.01 0.41 -0.06 -0.70 0.00 0.00 0.00 175.10 174.74 1tgj s GLU 99 N 1.50 0.45 -0.27 2.72 2.12 -0.36 -4.99 118.70 119.87 1tgj s GLU 99 Ca 0.06 -0.44 -0.08 0.00 0.36 0.00 0.00 54.97 54.87 1tgj s GLU 99 Cb -0.14 -0.33 -0.02 0.00 0.26 0.00 0.00 34.13 33.89 1tgj s GLU 99 CO -0.02 0.08 0.11 -1.14 -0.54 0.00 0.00 175.26 173.74 1tgj s GLN 100 N -0.78 3.60 -0.13 4.30 0.74 -1.26 -0.60 119.66 125.53 1tgj s GLN 100 Ca -0.04 -0.53 -0.12 0.00 0.05 0.00 0.00 55.36 54.72 1tgj s GLN 100 Cb -0.06 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 1tgj s GLN 100 CO 0.00 -0.25 0.26 -0.51 -0.55 0.00 0.00 175.29 174.24 1tgj s LEU 101 N 1.63 4.31 0.41 3.68 1.02 0.18 -4.90 118.68 125.01 1tgj s LEU 101 Ca 0.06 0.54 -0.16 0.00 0.02 0.00 0.00 54.13 54.59 1tgj s LEU 101 Cb -0.16 -2.32 -0.09 0.00 0.02 0.00 0.00 46.19 43.65 1tgj s LEU 101 CO 0.05 0.21 0.85 -0.94 0.02 0.00 0.00 176.35 176.54 1tgj s SER 102 N -0.09 6.73 -1.31 2.29 1.04 -1.26 -0.14 113.70 120.96 1tgj s SER 102 Ca 0.16 1.42 -0.15 0.00 0.48 0.00 0.00 55.95 57.86 1tgj s SER 102 Cb -0.13 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.56 1tgj s SER 102 CO 0.05 -0.37 0.51 0.59 0.98 0.00 0.00 173.24 175.00 1tgj n ASN 103 N -0.89 -2.39 -0.08 7.02 3.02 -1.25 -4.89 115.26 115.80 1tgj n ASN 103 Ca 0.05 -1.14 -0.08 0.00 -0.03 0.00 0.00 54.58 53.37 1tgj n ASN 103 Cb 0.54 -2.48 -0.16 0.00 -0.61 0.00 0.00 39.78 37.07 1tgj n ASN 103 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1tgj n MET 104 N -4.57 0.68 -5.07 3.52 2.81 -0.18 -4.88 117.12 109.43 1tgj n MET 104 Ca -0.20 0.02 -0.32 0.00 -1.81 0.00 0.00 57.70 55.39 1tgj n MET 104 Cb 0.63 -1.56 -0.16 0.00 -0.71 0.00 0.00 33.22 31.42 1tgj n MET 104 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1tgj s VAL 105 N -2.57 2.46 -0.20 2.03 1.01 -0.23 -4.62 120.40 118.28 1tgj s VAL 105 Ca -0.09 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 1tgj s VAL 105 Cb 0.07 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1tgj s VAL 105 CO 0.83 0.56 0.73 -0.69 0.00 0.00 0.00 175.10 176.53 1tgj s VAL 106 N 0.03 4.94 -0.07 2.92 1.01 -0.51 -0.23 120.40 128.49 1tgj s VAL 106 Ca -0.08 1.39 0.17 0.00 0.00 0.00 0.00 61.98 63.46 1tgj s VAL 106 Cb -0.15 -4.03 -0.25 0.00 0.00 0.00 0.00 36.38 31.94 1tgj s VAL 106 CO 0.05 0.05 0.28 0.29 0.00 0.00 0.00 175.10 175.77 1tgj n LYS 107 N 5.31 0.80 -3.61 2.72 4.76 0.12 -4.81 118.16 123.45 1tgj n LYS 107 Ca 0.02 -0.11 -0.12 0.00 -2.87 0.00 0.00 58.31 55.23 1tgj n LYS 107 Cb 0.49 -1.43 -0.05 0.00 -1.84 0.00 0.00 35.03 32.20 1tgj n LYS 107 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1tgj s SER 108 N -4.40 -0.33 0.31 4.39 1.04 -1.06 -1.17 113.70 112.49 1tgj s SER 108 Ca -0.07 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.35 1tgj s SER 108 Cb 0.09 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 1tgj s SER 108 CO 0.72 -0.78 -0.06 0.00 0.98 0.00 0.00 173.24 174.10 1tgj s LYS 110 N -3.70 1.47 -0.32 0.00 -2.85 0.26 -4.52 119.74 110.08 1tgj s LYS 110 Ca 0.31 -1.37 -0.07 0.00 -1.00 0.00 0.00 55.97 53.84 1tgj s LYS 110 Cb 0.04 0.42 0.02 0.00 -2.06 0.00 0.00 37.83 36.25 1tgj s LYS 110 CO 0.14 -0.58 0.10 0.00 0.10 0.00 0.00 175.35 175.11