#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3s n SER 3 N 0.00 0.78 -0.05 4.31 7.64 -1.26 -4.81 113.62 120.23 1k3s n SER 3 Ca 0.00 0.59 -0.01 0.00 1.01 0.00 0.00 58.87 60.46 1k3s n SER 3 Cb 0.00 -1.48 0.26 0.00 -1.01 0.00 0.00 64.21 61.98 1k3s n SER 3 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1k3s h LEU 4 N -0.82 0.60 0.14 -3.43 5.85 -1.94 -1.07 115.31 114.63 1k3s h LEU 4 Ca -0.46 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1k3s h LEU 4 Cb 1.30 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1k3s h LEU 4 CO 0.45 0.64 -0.07 0.25 -0.34 0.00 0.00 178.44 179.38 1k3s h LEU 5 N 0.62 -0.15 -1.34 2.25 5.85 -1.97 0.12 115.31 120.69 1k3s h LEU 5 Ca 0.13 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1k3s h LEU 5 Cb 0.32 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1k3s h LEU 5 CO 0.01 -0.08 0.49 0.78 -0.34 0.00 0.00 178.44 179.29 1k3s h ASN 6 N -0.21 0.72 -0.17 1.25 2.35 -1.85 -1.31 115.58 116.35 1k3s h ASN 6 Ca -0.02 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1k3s h ASN 6 Cb 0.17 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1k3s h ASN 6 CO 0.03 0.47 0.11 -0.09 -1.65 0.00 0.00 177.43 176.30 1k3s h ARG 7 N 0.82 0.23 -0.30 0.81 9.65 -0.39 -1.89 114.38 123.32 1k3s h ARG 7 Ca 0.31 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.19 1k3s h ARG 7 Cb 0.19 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1k3s h ARG 7 CO -0.10 0.19 0.16 1.25 2.80 0.00 0.00 179.97 184.27 1k3s h LEU 8 N 0.21 0.26 -0.17 3.80 5.85 0.26 -0.99 115.31 124.53 1k3s h LEU 8 Ca 0.06 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1k3s h LEU 8 Cb 0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1k3s h LEU 8 CO -0.01 0.19 -0.09 1.88 -0.34 0.00 0.00 178.44 180.07 1k3s h TYR 9 N 0.34 -0.21 -0.36 1.25 0.99 -1.11 0.96 116.97 118.83 1k3s h TYR 9 Ca 0.12 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.92 1k3s h TYR 9 Cb 0.01 0.12 -0.05 0.00 1.00 0.00 0.00 36.73 37.82 1k3s h TYR 9 CO -0.08 -0.14 0.09 -0.44 -0.00 0.00 0.00 178.16 177.59 1k3s h ASP 10 N -0.07 0.05 -0.23 3.88 3.32 -1.08 0.12 116.42 122.40 1k3s h ASP 10 Ca 0.09 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.22 1k3s h ASP 10 Cb 0.21 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1k3s h ASP 10 CO -0.21 0.06 0.15 0.00 -1.72 0.00 0.00 179.24 177.52 1k3s h ALA 11 N 1.26 1.93 -0.00 3.45 0.00 -0.50 0.52 119.26 125.92 1k3s h ALA 11 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1k3s h ALA 11 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1k3s h ALA 11 CO -0.21 0.04 -0.28 1.28 0.00 0.00 0.00 179.25 180.08 1k3s n LEU 12 N -4.50 0.42 0.00 0.00 4.77 0.27 -4.91 117.00 113.05 1k3s n LEU 12 Ca 0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1k3s n LEU 12 Cb 0.13 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1k3s n LEU 12 CO 0.35 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1k3s n GLY 13 N 1.45 0.92 3.76 -0.72 0.00 0.23 -5.01 105.19 105.80 1k3s n GLY 13 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1k3s n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k3s s LEU 14 N 0.00 4.50 -0.70 0.99 1.43 -0.21 -4.95 118.68 119.74 1k3s s LEU 14 Ca 0.00 2.35 0.05 0.00 -1.03 0.00 0.00 54.13 55.50 1k3s s LEU 14 Cb 0.00 -3.63 0.17 0.00 0.03 0.00 0.00 46.19 42.76 1k3s s LEU 14 CO 0.00 -0.28 0.49 -0.62 0.23 0.00 0.00 176.35 176.17 1k3s s ASP 15 N -0.53 4.81 -0.00 2.29 3.68 -1.26 -4.18 116.67 121.47 1k3s s ASP 15 Ca 0.48 -3.85 -0.22 0.00 2.13 0.00 0.00 52.55 51.09 1k3s s ASP 15 Cb -0.34 -1.63 -0.05 0.00 -1.45 0.00 0.00 42.92 39.45 1k3s s ASP 15 CO 0.42 -0.08 0.65 0.00 0.13 0.00 0.00 175.17 176.28 1k3s s ALA 16 N -1.45 3.44 0.17 3.66 0.00 -1.26 -5.21 121.76 121.12 1k3s s ALA 16 Ca 0.25 0.10 0.35 0.00 0.00 0.00 0.00 51.96 52.66 1k3s s ALA 16 Cb -0.04 -2.83 1.54 0.00 0.00 0.00 0.00 23.12 21.79 1k3s s ALA 16 CO -0.17 0.11 2.04 -1.00 0.00 0.00 0.00 175.76 176.74 1k3s h PRO 17 N 5.80 0.00 -0.70 0.00 0.13 -2.07 -3.53 132.00 131.63 1k3s h PRO 17 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1k3s h PRO 17 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1k3s h PRO 17 CO 0.71 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.37 1k3s n LEU 22 N -3.03 0.00 -4.03 1.56 7.94 -1.26 -5.26 117.00 112.92 1k3s n LEU 22 Ca -0.00 0.21 -0.31 0.00 -1.11 0.00 0.00 56.01 54.79 1k3s n LEU 22 Cb 0.26 -0.37 -0.16 0.00 0.53 0.00 0.00 43.42 43.68 1k3s n LEU 22 CO 0.25 0.00 -0.47 -0.22 -1.11 0.00 0.00 177.39 175.84 1k3s s LEU 23 N -0.33 2.48 -0.17 -1.96 2.96 0.10 -4.99 118.68 116.77 1k3s s LEU 23 Ca 0.00 -0.95 -0.06 0.00 -0.22 0.00 0.00 54.13 52.90 1k3s s LEU 23 Cb 0.00 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1k3s s LEU 23 CO 0.00 -0.13 0.02 -0.51 -1.32 0.00 0.00 176.35 174.41 1k3s s ILE 24 N 1.32 4.43 -0.06 6.68 2.07 -1.26 -0.80 121.20 133.57 1k3s s ILE 24 Ca -0.02 -0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.10 1k3s s ILE 24 Cb -0.16 -2.98 -0.02 0.00 0.13 0.00 0.00 42.46 39.43 1k3s s ILE 24 CO -0.08 0.47 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.61 1k3s s ILE 25 N 0.42 2.77 -1.78 2.00 1.01 0.00 -4.99 121.20 120.63 1k3s s ILE 25 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1k3s s ILE 25 Cb -0.13 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.26 1k3s s ILE 25 CO 0.01 0.57 0.26 0.47 0.00 0.00 0.00 174.94 176.26 1k3s n ASP 26 N 2.67 0.00 -0.30 3.58 10.43 -1.26 -1.31 116.55 130.36 1k3s n ASP 26 Ca -0.17 0.00 0.01 0.00 2.57 0.00 0.00 54.79 57.20 1k3s n ASP 26 Cb 0.52 0.00 0.04 0.00 1.84 0.00 0.00 41.12 43.52 1k3s n ASP 26 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1k3s n ASP 27 N -0.74 0.76 -2.47 -2.24 10.43 -1.26 -4.80 116.55 116.23 1k3s n ASP 27 Ca 0.00 -2.03 -0.13 0.00 2.57 0.00 0.00 54.79 55.20 1k3s n ASP 27 Cb 0.00 -0.19 0.05 0.00 1.84 0.00 0.00 41.12 42.82 1k3s n ASP 27 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1k3s n GLY 28 N 0.48 -0.02 2.79 0.44 0.00 -0.43 -5.03 105.19 103.42 1k3s n GLY 28 Ca 0.03 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1k3s n GLY 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1k3s s ILE 29 N -3.21 0.26 -0.27 -0.61 2.07 -0.77 -5.03 121.20 113.64 1k3s s ILE 29 Ca 0.19 0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 59.50 1k3s s ILE 29 Cb -0.08 -0.40 -0.00 0.00 0.13 0.00 0.00 42.46 42.11 1k3s s ILE 29 CO 0.45 0.21 0.04 -1.10 -1.91 0.00 0.00 174.94 172.63 1k3s s GLN 30 N 1.57 3.26 -0.23 3.50 -0.21 -1.26 -0.82 119.66 125.47 1k3s s GLN 30 Ca -0.02 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.57 1k3s s GLN 30 Cb -0.13 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 1k3s s GLN 30 CO -0.03 -0.33 0.04 0.08 -2.12 0.00 0.00 175.29 172.92 1k3s s VAL 31 N 1.51 4.14 -0.05 1.09 1.01 0.02 -4.19 120.40 123.93 1k3s s VAL 31 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1k3s s VAL 31 Cb -0.16 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1k3s s VAL 31 CO 0.01 0.38 0.03 -0.31 0.00 0.00 0.00 175.10 175.21 1k3s s TYR 32 N 1.32 3.20 -0.11 5.22 2.02 0.12 -0.72 117.35 128.40 1k3s s TYR 32 Ca 0.04 0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1k3s s TYR 32 Cb -0.15 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1k3s s TYR 32 CO 0.02 0.50 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.31 1k3s s PHE 33 N -1.01 2.77 -0.18 2.71 0.08 -1.26 -0.11 117.98 120.98 1k3s s PHE 33 Ca 0.17 -0.54 0.01 0.00 0.12 0.00 0.00 56.93 56.69 1k3s s PHE 33 Cb -0.12 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1k3s s PHE 33 CO 0.07 -0.12 -0.18 1.21 -0.10 0.00 0.00 175.22 176.10 1k3s s ASN 34 N 0.06 3.11 -0.36 1.36 3.84 0.22 -4.94 114.94 118.23 1k3s s ASN 34 Ca -0.05 -0.66 0.07 0.00 0.21 0.00 0.00 52.86 52.42 1k3s s ASN 34 Cb -0.15 -1.40 0.55 0.00 -0.55 0.00 0.00 41.25 39.70 1k3s s ASN 34 CO 0.04 -0.03 1.61 -0.62 -2.79 0.00 0.00 177.10 175.31 1k3s n GLU 35 N 4.65 2.07 -2.63 0.43 1.02 -1.26 0.36 120.64 125.29 1k3s n GLU 35 Ca -0.19 -3.21 -0.24 0.00 -0.02 0.00 0.00 57.16 53.51 1k3s n GLU 35 Cb 0.49 -1.96 0.03 0.00 -0.02 0.00 0.00 31.44 29.98 1k3s n GLU 35 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1k3s s SER 36 N -2.23 5.45 -1.38 1.62 1.04 -1.24 -4.43 113.70 112.53 1k3s s SER 36 Ca 0.49 0.31 -0.07 0.00 0.48 0.00 0.00 55.95 57.16 1k3s s SER 36 Cb 0.43 -1.29 0.03 0.00 0.10 0.00 0.00 66.02 65.29 1k3s s SER 36 CO 0.03 -1.06 0.97 0.47 0.98 0.00 0.00 173.24 174.63 1k3s n ASP 37 N -2.40 -3.93 -3.24 7.02 10.43 -1.26 -2.56 116.55 120.62 1k3s n ASP 37 Ca 0.05 -0.70 -0.21 0.00 2.57 0.00 0.00 54.79 56.50 1k3s n ASP 37 Cb 0.59 -4.42 -0.01 0.00 1.84 0.00 0.00 41.12 39.12 1k3s n ASP 37 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1k3s n HIS 38 N -4.59 -1.73 -3.98 1.24 8.25 -1.26 -4.93 115.22 108.21 1k3s n HIS 38 Ca -0.10 0.39 -0.09 0.00 -0.26 0.00 0.00 57.72 57.65 1k3s n HIS 38 Cb 0.59 -2.75 -0.08 0.00 1.12 0.00 0.00 29.99 28.88 1k3s n HIS 38 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1k3s s THR 39 N -2.84 0.09 -0.26 1.59 -4.23 -1.06 -1.77 115.64 107.15 1k3s s THR 39 Ca 0.34 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1k3s s THR 39 Cb -0.18 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 71.88 1k3s s THR 39 CO 0.42 -0.39 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.88 1k3s s LEU 40 N -2.97 3.43 0.00 4.79 2.96 0.28 -3.59 118.68 123.58 1k3s s LEU 40 Ca 0.16 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1k3s s LEU 40 Cb 0.04 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1k3s s LEU 40 CO -0.01 -0.15 0.00 1.21 -1.32 0.00 0.00 176.35 176.08 1k3s n GLU 41 N 4.74 2.11 0.00 1.98 2.13 0.16 -1.24 120.64 130.52 1k3s n GLU 41 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1k3s n GLU 41 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.18 1k3s n GLU 41 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k3s s PRO 45 N 2.23 3.80 0.00 0.00 0.04 -1.26 -0.78 135.00 139.04 1k3s s PRO 45 Ca 0.04 1.35 0.15 0.00 0.04 0.00 0.00 61.00 62.59 1k3s s PRO 45 Cb -0.15 -3.97 0.17 0.00 0.04 0.00 0.00 34.50 30.59 1k3s s PRO 45 CO -0.10 -1.27 1.04 1.97 0.04 0.00 0.00 177.00 178.68 1k3s n PHE 46 N 8.19 0.10 -2.56 0.56 1.16 -0.75 -4.79 117.46 119.36 1k3s n PHE 46 Ca 0.17 -0.08 -0.32 0.00 -1.87 0.00 0.00 57.45 55.35 1k3s n PHE 46 Cb 0.46 -0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.29 1k3s n PHE 46 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 1k3s s PRO 48 N -1.24 3.94 -0.02 3.97 0.02 -1.26 -4.97 135.00 135.44 1k3s s PRO 48 Ca 0.20 0.85 -0.30 0.00 0.02 0.00 0.00 61.00 61.77 1k3s s PRO 48 Cb 0.13 -2.21 -0.06 0.00 0.02 0.00 0.00 34.50 32.39 1k3s s PRO 48 CO 0.20 -0.18 1.54 -1.17 -0.33 0.00 0.00 177.00 177.05 1k3s s LEU 49 N -3.91 4.32 0.63 -5.54 2.96 -0.90 -4.35 118.68 111.89 1k3s s LEU 49 Ca 0.57 2.21 -0.13 0.00 -0.22 0.00 0.00 54.13 56.56 1k3s s LEU 49 Cb -0.10 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1k3s s LEU 49 CO 0.29 -0.84 1.04 -2.16 -1.32 0.00 0.00 176.35 173.37 1k3s s PRO 50 N 3.14 3.30 -0.15 0.98 0.04 -1.26 -4.96 135.00 136.09 1k3s s PRO 50 Ca 0.69 0.99 0.18 0.00 0.04 0.00 0.00 61.00 62.90 1k3s s PRO 50 Cb -0.33 -2.04 0.35 0.00 0.04 0.00 0.00 34.50 32.52 1k3s s PRO 50 CO 0.28 -0.81 1.21 -0.25 0.04 0.00 0.00 177.00 177.47 1k3s n ASP 51 N -2.53 2.56 -4.47 6.66 9.92 -1.26 -4.92 116.55 122.50 1k3s n ASP 51 Ca 0.07 -3.17 -0.36 0.00 -0.53 0.00 0.00 54.79 50.80 1k3s n ASP 51 Cb 0.53 -0.46 -0.12 0.00 -0.64 0.00 0.00 41.12 40.43 1k3s n ASP 51 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k3s s ASP 52 N -2.74 5.15 0.15 -2.24 -1.08 -1.26 -5.02 116.67 109.62 1k3s s ASP 52 Ca 0.35 -0.17 -0.24 0.00 -0.52 0.00 0.00 52.55 51.97 1k3s s ASP 52 Cb 0.30 -1.91 0.01 0.00 -1.46 0.00 0.00 42.92 39.86 1k3s s ASP 52 CO 0.03 0.01 1.62 0.40 0.52 0.00 0.00 175.17 177.75 1k3s h ILE 53 N 5.43 0.33 -0.91 4.11 2.04 -1.99 -0.47 117.51 126.04 1k3s h ILE 53 Ca -0.38 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1k3s h ILE 53 Cb 1.18 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1k3s h ILE 53 CO 0.60 0.00 0.60 -0.07 0.00 0.00 0.00 178.15 179.28 1k3s h LEU 54 N -0.31 1.04 -0.43 1.44 3.38 -1.99 0.08 115.31 118.52 1k3s h LEU 54 Ca 0.12 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1k3s h LEU 54 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1k3s h LEU 54 CO -0.39 0.75 -0.03 0.74 0.09 0.00 0.00 178.44 179.60 1k3s h THR 55 N 1.22 1.27 -0.60 0.22 2.02 -1.87 -0.34 112.91 114.82 1k3s h THR 55 Ca 0.34 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1k3s h THR 55 Cb -0.12 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1k3s h THR 55 CO -0.08 0.37 0.29 -0.07 0.37 0.00 0.00 175.52 176.40 1k3s h LEU 56 N 0.61 0.80 -1.07 2.58 3.38 -0.52 -2.26 115.31 118.82 1k3s h LEU 56 Ca 0.12 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1k3s h LEU 56 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1k3s h LEU 56 CO 0.03 0.71 -0.17 1.56 0.09 0.00 0.00 178.44 180.66 1k3s h GLN 57 N 0.83 0.46 -0.43 1.13 4.20 -0.84 -2.52 115.11 117.95 1k3s h GLN 57 Ca 0.21 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1k3s h GLN 57 Cb 0.13 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1k3s h GLN 57 CO -0.03 0.62 0.26 1.25 -0.67 0.00 0.00 178.83 180.26 1k3s h HIS 58 N 0.42 0.49 -0.06 2.96 2.76 -0.51 0.62 115.15 121.83 1k3s h HIS 58 Ca 0.07 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.14 1k3s h HIS 58 Cb 0.54 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1k3s h HIS 58 CO 0.02 0.29 -0.51 0.74 -1.30 0.00 0.00 177.93 177.16 1k3s h PHE 59 N 0.52 0.20 -0.17 5.26 0.04 -1.23 -1.29 116.94 120.27 1k3s h PHE 59 Ca 0.17 -0.06 -0.14 0.00 2.80 0.00 0.00 57.97 60.73 1k3s h PHE 59 Cb -0.01 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1k3s h PHE 59 CO -0.07 0.64 -0.49 -0.07 -0.60 0.00 0.00 178.31 177.72 1k3s h LEU 60 N 0.13 0.50 -0.78 1.54 3.38 -1.13 -2.81 115.31 116.14 1k3s h LEU 60 Ca 0.00 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1k3s h LEU 60 Cb 0.95 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1k3s h LEU 60 CO 0.08 0.91 -0.16 0.03 0.09 0.00 0.00 178.44 179.38 1k3s h ARG 61 N 0.36 0.75 -0.02 1.13 3.08 -0.50 -2.49 114.38 116.70 1k3s h ARG 61 Ca 0.02 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1k3s h ARG 61 Cb 1.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1k3s h ARG 61 CO 0.09 0.87 0.01 1.25 -1.07 0.00 0.00 179.97 181.11 1k3s h LEU 62 N 0.67 0.02 -0.97 3.04 5.85 -1.00 -1.05 115.31 121.87 1k3s h LEU 62 Ca 0.11 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1k3s h LEU 62 Cb 0.65 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1k3s h LEU 62 CO 0.05 0.02 0.00 0.78 -0.34 0.00 0.00 178.44 178.94 1k3s h ASN 63 N 0.02 0.00 0.45 1.25 2.35 -1.23 -2.05 115.58 116.36 1k3s h ASN 63 Ca 0.01 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1k3s h ASN 63 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1k3s h ASN 63 CO -0.00 0.00 -0.58 0.22 -1.65 0.00 0.00 177.43 175.42 1k3s h TYR 64 N 0.00 0.18 0.00 1.19 3.20 -1.25 -3.36 116.97 116.93 1k3s h TYR 64 Ca 0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1k3s h TYR 64 Cb 0.38 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1k3s h TYR 64 CO 0.00 0.69 0.00 0.25 -1.64 0.00 0.00 178.16 177.46 1k3s n THR 65 N -3.87 0.13 -4.25 1.81 -2.24 -1.10 -5.07 114.28 99.69 1k3s n THR 65 Ca -0.02 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 1k3s n THR 65 Cb 0.59 1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 69.84 1k3s n THR 65 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1k3s s SER 66 N -0.13 5.25 0.12 3.42 0.01 -0.79 -5.00 113.70 116.58 1k3s s SER 66 Ca 0.00 0.05 -0.13 0.00 1.31 0.00 0.00 55.95 57.18 1k3s s SER 66 Cb 0.00 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.73 1k3s s SER 66 CO 0.00 0.29 1.41 0.00 0.41 0.00 0.00 173.24 175.35 1k3s h ALA 67 N 4.40 0.46 -2.40 1.44 0.00 -1.93 -3.40 119.26 117.83 1k3s h ALA 67 Ca -0.49 -0.48 -0.63 0.00 0.00 0.00 0.00 54.91 53.31 1k3s h ALA 67 Cb 1.18 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 1k3s h ALA 67 CO 0.58 0.60 0.07 0.08 0.00 0.00 0.00 179.25 180.58 1k3s s VAL 68 N -4.21 4.96 0.44 0.00 1.01 -1.26 -4.84 120.40 116.50 1k3s s VAL 68 Ca -0.11 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1k3s s VAL 68 Cb 0.10 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1k3s s VAL 68 CO 0.87 -0.22 0.63 0.42 0.00 0.00 0.00 175.10 176.80 1k3s s THR 69 N 2.55 3.41 -0.11 3.92 -4.23 -0.61 -4.84 115.64 115.72 1k3s s THR 69 Ca 0.22 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 1k3s s THR 69 Cb -0.15 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.45 1k3s s THR 69 CO 0.13 -0.12 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.38 1k3s s ILE 70 N -2.47 3.47 0.00 2.99 -1.09 -1.26 0.19 121.20 123.03 1k3s s ILE 70 Ca 0.52 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 1k3s s ILE 70 Cb -0.10 -2.46 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1k3s s ILE 70 CO 0.35 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.21 1k3s n GLY 71 N 3.07 4.24 2.96 6.18 0.00 0.53 -4.94 105.19 117.23 1k3s n GLY 71 Ca -0.18 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 1k3s n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k3s s ALA 72 N -2.00 0.59 0.74 4.61 0.00 -1.26 -0.60 121.76 123.84 1k3s s ALA 72 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 1k3s s ALA 72 Cb 0.00 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1k3s s ALA 72 CO 0.00 0.10 1.15 0.16 0.00 0.00 0.00 175.76 177.17 1k3s s ASP 73 N 0.16 4.31 0.37 0.00 -4.77 -0.81 -4.88 116.67 111.05 1k3s s ASP 73 Ca -0.02 2.16 0.08 0.00 -3.30 0.00 0.00 52.55 51.47 1k3s s ASP 73 Cb -0.06 -2.57 0.81 0.00 -1.09 0.00 0.00 42.92 40.01 1k3s s ASP 73 CO -0.00 -2.18 1.94 0.00 0.70 0.00 0.00 175.17 175.63 1k3s h ALA 74 N -0.54 1.80 0.00 2.11 0.00 -2.01 0.23 119.26 120.84 1k3s h ALA 74 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1k3s h ALA 74 Cb 1.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1k3s h ALA 74 CO 0.50 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 1k3s n ASP 75 N -4.50 0.09 -2.74 0.00 8.00 -1.26 -4.86 116.55 111.28 1k3s n ASP 75 Ca 0.12 0.53 -0.21 0.00 0.71 0.00 0.00 54.79 55.94 1k3s n ASP 75 Cb 0.32 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.90 1k3s n ASP 75 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1k3s n ASN 76 N -1.60 -5.83 -0.02 -2.24 5.15 0.81 -4.90 115.26 106.63 1k3s n ASN 76 Ca 0.03 -0.23 0.04 0.00 -0.60 0.00 0.00 54.58 53.82 1k3s n ASN 76 Cb 0.15 -4.68 -0.11 0.00 -0.53 0.00 0.00 39.78 34.61 1k3s n ASN 76 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1k3s n THR 77 N -4.39 0.22 -3.77 -0.44 -2.24 -1.26 -4.81 114.28 97.59 1k3s n THR 77 Ca -0.12 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 1k3s n THR 77 Cb 0.62 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1k3s n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k3s s ALA 78 N -2.88 -0.54 0.14 6.98 0.00 -1.26 -2.13 121.76 122.07 1k3s s ALA 78 Ca -0.06 -0.38 -0.19 0.00 0.00 0.00 0.00 51.96 51.33 1k3s s ALA 78 Cb 0.08 0.63 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 1k3s s ALA 78 CO 0.61 -0.59 0.62 -0.51 0.00 0.00 0.00 175.76 175.89 1k3s s LEU 79 N -2.85 4.44 -0.03 0.00 1.43 -1.26 -1.93 118.68 118.48 1k3s s LEU 79 Ca 0.05 1.29 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 1k3s s LEU 79 Cb 0.03 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 1k3s s LEU 79 CO -0.10 0.17 -0.14 0.68 0.23 0.00 0.00 176.35 177.19 1k3s s VAL 80 N -1.30 1.13 0.14 -1.59 -7.23 0.23 -1.82 120.40 109.96 1k3s s VAL 80 Ca 0.35 -0.57 -0.25 0.00 -1.81 0.00 0.00 61.98 59.70 1k3s s VAL 80 Cb -0.18 -0.97 -0.07 0.00 0.56 0.00 0.00 36.38 35.72 1k3s s VAL 80 CO 0.20 0.33 0.76 0.00 -0.31 0.00 0.00 175.10 176.08 1k3s s ALA 81 N -0.04 3.45 0.09 1.32 0.00 0.04 -0.34 121.76 126.28 1k3s s ALA 81 Ca -0.00 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1k3s s ALA 81 Cb -0.09 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1k3s s ALA 81 CO 0.01 0.27 -0.11 -0.51 0.00 0.00 0.00 175.76 175.41 1k3s s LEU 82 N -0.97 2.37 -0.29 0.00 1.43 0.13 -1.27 118.68 120.07 1k3s s LEU 82 Ca 0.36 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 1k3s s LEU 82 Cb -0.22 -0.37 0.12 0.00 0.03 0.00 0.00 46.19 45.74 1k3s s LEU 82 CO 0.25 -0.20 0.64 -0.47 0.23 0.00 0.00 176.35 176.80 1k3s s TYR 83 N -2.08 -1.28 0.16 0.29 6.14 -1.26 -1.58 117.35 117.74 1k3s s TYR 83 Ca 0.03 2.26 0.10 0.00 0.64 0.00 0.00 57.07 60.10 1k3s s TYR 83 Cb -0.05 0.76 -0.04 0.00 0.42 0.00 0.00 41.96 43.04 1k3s s TYR 83 CO 0.01 -0.64 -0.18 1.03 0.64 0.00 0.00 175.55 176.42 1k3s s ARG 84 N 2.69 1.77 -0.07 4.97 0.52 -1.26 -4.38 118.95 123.20 1k3s s ARG 84 Ca -0.06 -1.32 -0.06 0.00 -0.52 0.00 0.00 55.73 53.77 1k3s s ARG 84 Cb -0.11 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.34 1k3s s ARG 84 CO -0.19 0.44 0.17 -0.51 0.02 0.00 0.00 175.30 175.24 1k3s s LEU 85 N -2.51 1.29 0.49 2.53 1.02 -0.37 -4.97 118.68 116.16 1k3s s LEU 85 Ca 0.21 0.35 -0.22 0.00 0.02 0.00 0.00 54.13 54.49 1k3s s LEU 85 Cb -0.09 0.59 -0.07 0.00 0.02 0.00 0.00 46.19 46.64 1k3s s LEU 85 CO 0.11 -0.07 1.21 -2.16 0.02 0.00 0.00 176.35 175.47 1k3s s PRO 86 N 0.16 3.56 0.55 1.29 0.04 -1.26 0.10 135.00 139.43 1k3s s PRO 86 Ca -0.01 1.88 0.25 0.00 0.04 0.00 0.00 61.00 63.16 1k3s s PRO 86 Cb -0.02 -2.33 1.45 0.00 0.04 0.00 0.00 34.50 33.64 1k3s s PRO 86 CO -0.00 -0.75 2.05 1.96 0.04 0.00 0.00 177.00 180.30 1k3s h GLN 87 N 1.82 0.00 0.00 4.56 1.08 -1.64 0.11 115.11 121.04 1k3s h GLN 87 Ca -0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1k3s h GLN 87 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1k3s h GLN 87 CO 0.59 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 178.72 1k3s n THR 88 N -4.21 1.18 -1.05 -0.54 -2.24 -1.26 -4.69 114.28 101.47 1k3s n THR 88 Ca 0.05 0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.90 1k3s n THR 88 Cb 0.43 -1.30 0.13 0.00 -2.10 0.00 0.00 70.33 67.49 1k3s n THR 88 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1k3s s SER 89 N -3.56 3.52 0.60 3.42 0.01 0.39 -5.02 113.70 113.07 1k3s s SER 89 Ca 0.03 2.29 -0.02 0.00 1.31 0.00 0.00 55.95 59.56 1k3s s SER 89 Cb 0.07 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.76 1k3s s SER 89 CO 0.23 -2.71 0.87 0.42 0.41 0.00 0.00 173.24 172.46 1k3s s THR 90 N -2.30 2.64 0.44 1.44 -4.23 -1.26 -4.94 115.64 107.43 1k3s s THR 90 Ca 0.71 -0.47 0.22 0.00 -1.18 0.00 0.00 61.69 60.97 1k3s s THR 90 Cb -0.26 -3.05 0.25 0.00 1.34 0.00 0.00 72.50 70.78 1k3s s THR 90 CO 0.52 -0.04 2.05 -0.08 -0.54 0.00 0.00 174.62 176.53 1k3s h GLU 91 N -0.18 0.00 -0.22 3.99 4.81 -1.94 -1.68 114.58 119.37 1k3s h GLU 91 Ca -0.43 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.59 1k3s h GLU 91 Cb 1.30 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.69 1k3s h GLU 91 CO 0.56 0.14 -0.66 1.49 -0.73 0.00 0.00 179.01 179.81 1k3s h GLU 92 N 0.00 0.83 -0.33 1.92 4.22 -1.96 -1.98 114.58 117.29 1k3s h GLU 92 Ca -0.00 -0.61 -0.14 0.00 0.08 0.00 0.00 59.36 58.70 1k3s h GLU 92 Cb 0.32 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1k3s h GLU 92 CO 0.02 1.23 -0.34 0.93 -2.18 0.00 0.00 179.01 178.66 1k3s h GLU 93 N 0.60 0.73 0.08 1.92 5.08 -1.81 -2.10 114.58 119.07 1k3s h GLU 93 Ca -0.02 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1k3s h GLU 93 Cb 1.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1k3s h GLU 93 CO 0.14 0.97 -0.04 0.00 -1.00 0.00 0.00 179.01 179.08 1k3s h ALA 94 N 1.00 -0.10 -0.24 3.43 0.00 -1.30 -0.62 119.26 121.43 1k3s h ALA 94 Ca 0.06 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1k3s h ALA 94 Cb 0.88 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1k3s h ALA 94 CO 0.08 -0.47 -0.15 1.25 0.00 0.00 0.00 179.25 179.95 1k3s h LEU 95 N -0.26 -0.49 -0.65 0.00 6.46 -1.30 -0.33 115.31 118.73 1k3s h LEU 95 Ca -0.01 0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.92 1k3s h LEU 95 Cb 0.23 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 1k3s h LEU 95 CO 0.02 -0.19 0.35 0.74 -0.62 0.00 0.00 178.44 178.74 1k3s h THR 96 N -0.13 0.95 -0.50 1.05 2.02 -1.24 -1.73 112.91 113.32 1k3s h THR 96 Ca 0.14 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1k3s h THR 96 Cb 0.33 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1k3s h THR 96 CO -0.33 0.12 0.33 1.23 0.37 0.00 0.00 175.52 177.25 1k3s h GLY 97 N 0.65 0.71 0.91 2.16 0.00 -0.13 -1.98 103.07 105.39 1k3s h GLY 97 Ca 0.29 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.38 1k3s h GLY 97 CO -0.19 0.26 0.26 -2.75 0.00 0.00 0.00 176.54 174.12 1k3s h PHE 98 N 0.68 0.48 -0.66 5.60 3.57 -0.47 0.21 116.94 126.36 1k3s h PHE 98 Ca 0.18 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1k3s h PHE 98 Cb -0.08 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1k3s h PHE 98 CO -0.04 0.28 0.41 0.93 -2.23 0.00 0.00 178.31 177.67 1k3s h GLU 99 N 0.52 0.79 -0.51 1.11 5.08 -1.09 -1.91 114.58 118.57 1k3s h GLU 99 Ca 0.17 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1k3s h GLU 99 Cb -0.00 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1k3s h GLU 99 CO -0.07 0.52 -0.00 1.25 -1.00 0.00 0.00 179.01 179.71 1k3s h LEU 100 N 0.81 0.89 0.15 1.33 5.85 -0.91 -2.91 115.31 120.52 1k3s h LEU 100 Ca 0.27 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1k3s h LEU 100 Cb 0.01 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1k3s h LEU 100 CO -0.10 0.98 -0.19 0.15 -0.34 0.00 0.00 178.44 178.94 1k3s h PHE 101 N 0.77 -0.50 -0.87 1.25 3.04 -0.46 -1.96 116.94 118.21 1k3s h PHE 101 Ca 0.14 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.11 1k3s h PHE 101 Cb 0.53 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.19 1k3s h PHE 101 CO 0.04 -0.28 0.57 0.82 -2.02 0.00 0.00 178.31 177.44 1k3s h ILE 102 N -0.39 1.21 -0.45 1.41 5.03 -1.39 -1.10 117.51 121.83 1k3s h ILE 102 Ca 0.01 -0.40 -0.03 0.00 -0.12 0.00 0.00 64.86 64.33 1k3s h ILE 102 Cb 0.39 -0.05 -0.02 0.00 -3.03 0.00 0.00 36.82 34.10 1k3s h ILE 102 CO -0.07 0.21 0.17 -1.28 -0.68 0.00 0.00 178.15 176.50 1k3s h SER 103 N 1.16 0.63 -0.21 1.72 0.87 -1.30 -2.11 113.55 114.31 1k3s h SER 103 Ca 0.32 -0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 1k3s h SER 103 Cb -0.12 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1k3s h SER 103 CO -0.07 0.64 -0.19 0.78 -0.53 0.00 0.00 176.83 177.46 1k3s h ASN 104 N 0.59 0.64 -0.69 6.23 2.35 -0.90 -1.97 115.58 121.83 1k3s h ASN 104 Ca 0.15 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 1k3s h ASN 104 Cb 0.21 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1k3s h ASN 104 CO -0.01 0.83 0.13 0.58 -1.65 0.00 0.00 177.43 177.31 1k3s h VAL 105 N 0.58 1.26 -0.69 2.81 2.07 -0.97 0.24 116.25 121.55 1k3s h VAL 105 Ca 0.09 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 1k3s h VAL 105 Cb 0.64 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1k3s h VAL 105 CO 0.05 0.39 0.30 0.11 0.02 0.00 0.00 177.57 178.44 1k3s h LYS 106 N 1.06 1.01 -0.43 1.57 1.57 -1.19 -2.30 116.57 117.86 1k3s h LYS 106 Ca 0.21 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1k3s h LYS 106 Cb 0.42 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1k3s h LYS 106 CO 0.01 0.82 0.28 0.37 -0.57 0.00 0.00 179.45 180.36 1k3s h GLN 107 N 0.97 0.57 0.00 3.15 4.15 -0.74 -2.25 115.11 120.95 1k3s h GLN 107 Ca 0.23 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1k3s h GLN 107 Cb 0.16 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1k3s h GLN 107 CO -0.02 0.39 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.15 1k3s h LEU 108 N 0.58 0.00 -1.47 -2.39 3.38 -0.58 -2.32 115.31 112.51 1k3s h LEU 108 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1k3s h LEU 108 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1k3s h LEU 108 CO -0.03 0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.84 1k3s n LYS 109 N -3.51 1.99 -1.69 1.13 5.02 -0.86 -4.94 118.16 115.30 1k3s n LYS 109 Ca -0.02 -1.46 -0.29 0.00 -2.02 0.00 0.00 58.31 54.52 1k3s n LYS 109 Cb 0.16 -1.46 0.12 0.00 -0.02 0.00 0.00 35.03 33.83 1k3s n LYS 109 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1k3s s GLU 110 N -1.83 1.47 0.00 1.97 2.02 -0.87 -5.09 118.70 116.37 1k3s s GLU 110 Ca 0.34 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.55 1k3s s GLU 110 Cb 0.20 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.55 1k3s s GLU 110 CO 0.30 -1.95 0.00 -2.39 0.02 0.00 0.00 175.26 171.24