#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k3s s SER 3 N 0.00 2.61 0.21 4.31 1.04 -1.26 -4.81 113.70 115.80 1k3s s SER 3 Ca 0.00 2.07 -0.07 0.00 0.48 0.00 0.00 55.95 58.43 1k3s s SER 3 Cb 0.00 -2.53 0.16 0.00 0.10 0.00 0.00 66.02 63.75 1k3s s SER 3 CO 0.00 -3.28 1.74 0.25 0.98 0.00 0.00 173.24 172.93 1k3s h LEU 4 N -1.99 1.06 -0.85 2.42 5.85 -1.94 -2.30 115.31 117.57 1k3s h LEU 4 Ca -0.46 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 57.97 1k3s h LEU 4 Cb 1.28 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1k3s h LEU 4 CO 0.43 1.00 -0.00 0.25 -0.34 0.00 0.00 178.44 179.78 1k3s h LEU 5 N 1.08 0.83 -0.76 2.25 5.85 -1.96 -1.43 115.31 121.17 1k3s h LEU 5 Ca 0.23 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1k3s h LEU 5 Cb 0.34 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1k3s h LEU 5 CO -0.00 0.89 -0.04 0.78 -0.34 0.00 0.00 178.44 179.73 1k3s h ASN 6 N 0.79 0.88 0.36 1.25 2.35 -1.86 -1.04 115.58 118.32 1k3s h ASN 6 Ca 0.15 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 1k3s h ASN 6 Cb 0.48 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1k3s h ASN 6 CO 0.02 0.97 -0.42 0.03 -1.65 0.00 0.00 177.43 176.38 1k3s h ARG 7 N 0.82 0.07 -0.21 0.81 3.08 -1.09 -1.35 114.38 116.51 1k3s h ARG 7 Ca 0.15 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1k3s h ARG 7 Cb 0.55 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1k3s h ARG 7 CO 0.03 0.48 -0.17 1.25 -1.07 0.00 0.00 179.97 180.49 1k3s h LEU 8 N 0.06 0.51 -0.78 3.04 5.85 -0.82 -1.20 115.31 121.97 1k3s h LEU 8 Ca 0.00 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.34 1k3s h LEU 8 Cb 0.77 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1k3s h LEU 8 CO 0.06 0.87 0.45 1.88 -0.34 0.00 0.00 178.44 181.36 1k3s h TYR 9 N 0.17 0.83 -0.47 1.25 0.05 -0.86 0.14 116.97 118.08 1k3s h TYR 9 Ca 0.04 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 1k3s h TYR 9 Cb 0.71 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1k3s h TYR 9 CO 0.07 0.38 0.19 -0.44 -1.05 0.00 0.00 178.16 177.31 1k3s h ASP 10 N 0.81 0.66 0.03 3.88 3.32 -1.08 0.23 116.42 124.27 1k3s h ASP 10 Ca 0.36 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1k3s h ASP 10 Cb 0.25 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1k3s h ASP 10 CO -0.20 0.65 -0.03 0.00 -1.72 0.00 0.00 179.24 177.93 1k3s h ALA 11 N 1.03 1.94 -0.30 3.45 0.00 -0.18 0.32 119.26 125.52 1k3s h ALA 11 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1k3s h ALA 11 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1k3s h ALA 11 CO -0.01 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1k3s n LEU 12 N -4.49 1.66 -3.17 0.00 4.77 -0.06 -4.91 117.00 110.79 1k3s n LEU 12 Ca -0.03 -0.83 -0.15 0.00 -0.03 0.00 0.00 56.01 54.97 1k3s n LEU 12 Cb 0.12 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1k3s n LEU 12 CO 0.34 0.40 0.08 0.61 -1.33 0.00 0.00 177.39 177.50 1k3s n GLY 13 N 0.96 -0.47 3.14 -0.72 0.00 0.11 -5.03 105.19 103.18 1k3s n GLY 13 Ca 0.10 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.09 1k3s n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k3s s LEU 14 N -5.74 2.14 -0.98 0.99 2.96 -0.00 -5.00 118.68 113.05 1k3s s LEU 14 Ca 0.11 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1k3s s LEU 14 Cb -0.01 -0.65 0.33 0.00 0.50 0.00 0.00 46.19 46.35 1k3s s LEU 14 CO 0.66 0.07 1.85 0.47 -1.32 0.00 0.00 176.35 178.08 1k3s n ASP 15 N 2.05 7.32 0.00 3.68 8.00 -1.26 -4.02 116.55 132.32 1k3s n ASP 15 Ca -0.17 -3.72 0.00 0.00 0.71 0.00 0.00 54.79 51.61 1k3s n ASP 15 Cb 0.55 -1.13 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1k3s n ASP 15 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1k3s n GLU 20 N -0.16 0.00 -1.22 -1.24 0.28 -1.26 -5.16 120.64 111.87 1k3s n GLU 20 Ca 0.48 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 57.12 1k3s n GLU 20 Cb 0.26 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.19 1k3s n GLU 20 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1k3s n PRO 21 N 0.86 0.21 -3.64 3.44 -0.02 -1.26 -5.00 135.00 129.60 1k3s n PRO 21 Ca 0.00 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 1k3s n PRO 21 Cb 0.00 -1.64 -0.07 0.00 -0.02 0.00 0.00 33.50 31.77 1k3s n PRO 21 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1k3s s LEU 22 N 1.21 -0.63 -0.10 2.45 0.20 -1.26 -5.15 118.68 115.39 1k3s s LEU 22 Ca 0.62 1.16 0.03 0.00 0.69 0.00 0.00 54.13 56.63 1k3s s LEU 22 Cb -0.35 2.15 0.01 0.00 -0.43 0.00 0.00 46.19 47.57 1k3s s LEU 22 CO 0.62 -0.20 -0.20 -0.22 -0.29 0.00 0.00 176.35 176.06 1k3s s LEU 23 N 0.58 1.93 -0.09 -0.68 2.96 -1.26 -4.48 118.68 117.64 1k3s s LEU 23 Ca -0.01 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1k3s s LEU 23 Cb -0.05 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 1k3s s LEU 23 CO -0.06 0.10 0.05 -0.63 -1.32 0.00 0.00 176.35 174.49 1k3s s ILE 24 N 0.57 4.71 -0.27 6.68 1.01 1.00 -4.95 121.20 129.96 1k3s s ILE 24 Ca -0.15 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1k3s s ILE 24 Cb -0.17 -3.02 0.07 0.00 0.01 0.00 0.00 42.46 39.35 1k3s s ILE 24 CO 0.05 0.58 -0.06 -0.63 0.00 0.00 0.00 174.94 174.88 1k3s s ILE 25 N -0.96 1.93 -0.29 2.92 1.01 -1.26 -0.30 121.20 124.25 1k3s s ILE 25 Ca 0.15 -1.61 0.03 0.00 0.00 0.00 0.00 60.65 59.22 1k3s s ILE 25 Cb -0.12 -2.17 0.08 0.00 0.01 0.00 0.00 42.46 40.27 1k3s s ILE 25 CO 0.04 -0.17 -0.03 -0.62 0.00 0.00 0.00 174.94 174.17 1k3s s ASP 26 N 1.18 4.50 -1.23 3.58 -1.08 -0.03 -4.75 116.67 118.84 1k3s s ASP 26 Ca -0.04 -1.71 -0.03 0.00 -0.52 0.00 0.00 52.55 50.25 1k3s s ASP 26 Cb -0.19 -1.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.76 1k3s s ASP 26 CO -0.07 -0.29 1.04 0.47 0.52 0.00 0.00 175.17 176.85 1k3s n ASP 27 N 4.40 -3.63 0.00 -0.34 8.00 -1.26 -1.67 116.55 122.05 1k3s n ASP 27 Ca -0.06 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1k3s n ASP 27 Cb 0.42 -4.97 0.00 0.00 -0.02 0.00 0.00 41.12 36.55 1k3s n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k3s n GLY 28 N -1.45 1.07 3.71 0.44 0.00 -1.26 -4.97 105.19 102.73 1k3s n GLY 28 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1k3s n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k3s s ILE 29 N -2.85 5.28 0.01 -0.61 1.01 -0.67 -5.07 121.20 118.30 1k3s s ILE 29 Ca 0.00 0.58 -0.21 0.00 0.00 0.00 0.00 60.65 61.02 1k3s s ILE 29 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 1k3s s ILE 29 CO 0.00 0.36 0.62 -1.10 0.00 0.00 0.00 174.94 174.82 1k3s s GLN 30 N 0.67 4.34 -0.05 2.79 -0.21 -1.26 -0.85 119.66 125.09 1k3s s GLN 30 Ca 0.17 0.79 -0.02 0.00 0.02 0.00 0.00 55.36 56.33 1k3s s GLN 30 Cb -0.13 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.58 1k3s s GLN 30 CO 0.05 0.38 0.09 0.08 -2.12 0.00 0.00 175.29 173.77 1k3s s VAL 31 N -0.27 -0.09 0.20 1.09 1.01 0.59 -4.11 120.40 118.82 1k3s s VAL 31 Ca 0.32 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1k3s s VAL 31 Cb -0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1k3s s VAL 31 CO 0.18 0.11 0.00 -0.72 0.00 0.00 0.00 175.10 174.68 1k3s s TYR 32 N 1.44 1.34 0.05 5.22 1.13 -0.29 -0.00 117.35 126.23 1k3s s TYR 32 Ca -0.05 -1.00 0.09 0.00 -1.41 0.00 0.00 57.07 54.70 1k3s s TYR 32 Cb -0.12 -0.76 -0.03 0.00 -1.10 0.00 0.00 41.96 39.94 1k3s s TYR 32 CO -0.04 -0.16 -0.25 -0.06 -2.51 0.00 0.00 175.55 172.53 1k3s s PHE 33 N -3.59 2.37 0.16 -3.49 0.08 -1.26 -0.50 117.98 111.75 1k3s s PHE 33 Ca 0.26 -0.38 0.11 0.00 0.12 0.00 0.00 56.93 57.04 1k3s s PHE 33 Cb 0.06 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 1k3s s PHE 33 CO 0.06 0.16 -0.25 1.21 -0.10 0.00 0.00 175.22 176.30 1k3s s ASN 34 N -1.29 3.43 0.03 1.36 2.47 -0.04 -4.98 114.94 115.92 1k3s s ASN 34 Ca 0.12 -0.79 0.02 0.00 0.42 0.00 0.00 52.86 52.63 1k3s s ASN 34 Cb -0.10 -0.27 -0.02 0.00 -1.45 0.00 0.00 41.25 39.41 1k3s s ASN 34 CO 0.03 0.15 -0.06 -1.61 -3.72 0.00 0.00 177.10 171.88 1k3s s GLU 35 N -2.38 0.46 0.33 0.43 2.02 -1.26 -0.82 118.70 117.48 1k3s s GLU 35 Ca 0.18 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.58 1k3s s GLU 35 Cb -0.09 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.86 1k3s s GLU 35 CO 0.08 0.04 0.13 -1.54 0.02 0.00 0.00 175.26 174.00 1k3s s SER 36 N -1.27 1.98 0.19 -0.19 1.04 -0.34 -5.02 113.70 110.10 1k3s s SER 36 Ca -0.09 -1.55 -0.14 0.00 0.48 0.00 0.00 55.95 54.65 1k3s s SER 36 Cb -0.08 0.34 0.19 0.00 0.10 0.00 0.00 66.02 66.56 1k3s s SER 36 CO 0.00 -0.85 1.66 -2.24 0.98 0.00 0.00 173.24 172.79 1k3s h ASP 37 N 2.09 -0.40 -0.01 7.02 -0.00 -2.04 -3.12 116.42 119.96 1k3s h ASP 37 Ca -0.35 0.15 0.00 0.00 -0.00 0.00 0.00 57.03 56.82 1k3s h ASP 37 Cb 1.25 0.29 0.00 0.00 -0.00 0.00 0.00 39.33 40.88 1k3s h ASP 37 CO 0.56 -0.15 -0.16 1.41 -0.00 0.00 0.00 179.24 180.91 1k3s n HIS 38 N -5.33 0.00 -4.12 4.15 8.25 -1.26 -4.89 115.22 112.01 1k3s n HIS 38 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.36 1k3s n HIS 38 Cb 0.28 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 1k3s n HIS 38 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1k3s s THR 39 N -1.54 0.39 -0.20 1.59 2.01 -1.18 -0.99 115.64 115.72 1k3s s THR 39 Ca 0.15 -0.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.79 1k3s s THR 39 Cb 0.12 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 1k3s s THR 39 CO 0.28 0.06 0.05 -0.22 -0.69 0.00 0.00 174.62 174.10 1k3s s LEU 40 N -0.26 3.63 0.00 4.42 2.96 -0.13 -1.20 118.68 128.10 1k3s s LEU 40 Ca 0.01 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1k3s s LEU 40 Cb -0.03 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.73 1k3s s LEU 40 CO -0.00 0.11 0.00 -0.62 -1.32 0.00 0.00 176.35 174.51 1k3s n GLU 41 N 3.99 2.50 0.00 1.98 1.02 -0.00 -0.91 120.64 129.22 1k3s n GLU 41 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1k3s n GLU 41 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1k3s n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k3s s PRO 45 N 1.27 3.59 0.00 0.00 0.04 -1.26 -1.25 135.00 137.39 1k3s s PRO 45 Ca 0.02 0.82 0.22 0.00 0.04 0.00 0.00 61.00 62.11 1k3s s PRO 45 Cb -0.19 -4.00 0.42 0.00 0.04 0.00 0.00 34.50 30.77 1k3s s PRO 45 CO -0.11 -1.55 1.39 1.97 0.04 0.00 0.00 177.00 178.75 1k3s n PHE 46 N 8.64 0.52 -2.74 0.56 1.16 -0.97 -4.74 117.46 119.88 1k3s n PHE 46 Ca 0.15 -0.27 -0.33 0.00 -1.87 0.00 0.00 57.45 55.13 1k3s n PHE 46 Cb 0.48 -0.00 -0.06 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 -1.42 4.17 -0.07 3.97 0.02 -1.26 -4.93 135.00 135.48 1k3s s PRO 48 Ca 0.38 1.09 -0.30 0.00 0.02 0.00 0.00 61.00 62.20 1k3s s PRO 48 Cb 0.22 -2.17 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 1k3s s PRO 48 CO 0.31 -0.08 1.72 -1.17 -0.33 0.00 0.00 177.00 177.45 1k3s s LEU 49 N -3.34 4.24 0.64 -5.54 2.96 -0.39 -4.31 118.68 112.94 1k3s s LEU 49 Ca 0.62 2.20 -0.17 0.00 -0.22 0.00 0.00 54.13 56.55 1k3s s LEU 49 Cb -0.09 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1k3s s LEU 49 CO 0.16 -1.04 1.21 -2.16 -1.32 0.00 0.00 176.35 173.21 1k3s s PRO 50 N 4.30 2.68 -0.12 0.98 0.04 -1.26 -4.94 135.00 136.69 1k3s s PRO 50 Ca 0.77 1.81 0.17 0.00 0.04 0.00 0.00 61.00 63.78 1k3s s PRO 50 Cb -0.34 -1.89 0.26 0.00 0.04 0.00 0.00 34.50 32.57 1k3s s PRO 50 CO 0.32 -1.43 1.14 -0.40 0.04 0.00 0.00 177.00 176.67 1k3s n ASP 51 N -1.99 2.34 -4.52 6.66 5.75 -1.26 -4.89 116.55 118.64 1k3s n ASP 51 Ca 0.14 -2.95 -0.31 0.00 -0.01 0.00 0.00 54.79 51.66 1k3s n ASP 51 Cb 0.50 -0.38 -0.11 0.00 -1.03 0.00 0.00 41.12 40.09 1k3s n ASP 51 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1k3s s ASP 52 N -2.63 4.13 0.15 -1.12 -4.77 -1.26 -5.05 116.67 106.11 1k3s s ASP 52 Ca 0.28 -0.37 -0.20 0.00 -3.30 0.00 0.00 52.55 48.96 1k3s s ASP 52 Cb 0.25 -0.76 0.03 0.00 -1.09 0.00 0.00 42.92 41.35 1k3s s ASP 52 CO 0.03 0.23 1.67 0.40 0.70 0.00 0.00 175.17 178.20 1k3s h ILE 53 N 3.69 0.62 -0.55 2.11 2.04 -2.00 -2.68 117.51 120.73 1k3s h ILE 53 Ca -0.48 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.27 1k3s h ILE 53 Cb 1.16 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1k3s h ILE 53 CO 0.50 0.00 -0.08 -0.07 0.00 0.00 0.00 178.15 178.50 1k3s h LEU 54 N -0.08 1.03 -0.55 1.44 3.38 -1.99 -1.70 115.31 116.84 1k3s h LEU 54 Ca 0.14 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1k3s h LEU 54 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1k3s h LEU 54 CO -0.32 1.12 -0.18 0.74 0.09 0.00 0.00 178.44 179.90 1k3s h THR 55 N 0.91 1.27 -0.54 0.22 2.02 -1.99 -1.33 112.91 113.48 1k3s h THR 55 Ca 0.15 -1.34 -0.04 0.00 0.77 0.00 0.00 66.41 65.95 1k3s h THR 55 Cb 0.64 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1k3s h THR 55 CO 0.04 0.46 0.19 -0.07 0.37 0.00 0.00 175.52 176.52 1k3s h LEU 56 N 0.86 0.77 -0.99 2.58 3.38 -1.38 -1.72 115.31 118.81 1k3s h LEU 56 Ca 0.12 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1k3s h LEU 56 Cb 0.75 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1k3s h LEU 56 CO 0.06 0.75 -0.11 1.56 0.09 0.00 0.00 178.44 180.79 1k3s h GLN 57 N 0.74 0.60 -0.65 1.13 4.20 -1.17 -2.24 115.11 117.72 1k3s h GLN 57 Ca 0.18 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1k3s h GLN 57 Cb 0.24 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 1k3s h GLN 57 CO -0.01 0.71 0.40 1.25 -0.67 0.00 0.00 178.83 180.50 1k3s h HIS 58 N 0.55 0.85 0.00 2.96 2.76 -0.83 -1.17 115.15 120.27 1k3s h HIS 58 Ca 0.10 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.20 1k3s h HIS 58 Cb 0.52 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1k3s h HIS 58 CO 0.02 0.57 -0.35 0.74 -1.30 0.00 0.00 177.93 177.61 1k3s h PHE 59 N 0.88 0.00 -0.23 5.26 0.04 -1.01 -0.21 116.94 121.67 1k3s h PHE 59 Ca 0.23 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.82 1k3s h PHE 59 Cb -0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 1k3s h PHE 59 CO -0.02 0.35 -0.59 -0.07 -0.60 0.00 0.00 178.31 177.39 1k3s h LEU 60 N 0.00 0.86 -0.62 1.54 3.38 -0.96 -2.42 115.31 117.08 1k3s h LEU 60 Ca -0.00 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1k3s h LEU 60 Cb 0.89 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1k3s h LEU 60 CO 0.05 1.25 -0.04 0.03 0.09 0.00 0.00 178.44 179.82 1k3s h ARG 61 N 0.57 1.04 -0.61 1.13 3.08 -0.80 -2.60 114.38 116.19 1k3s h ARG 61 Ca 0.00 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.75 1k3s h ARG 61 Cb 1.19 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 1k3s h ARG 61 CO 0.12 1.04 0.40 1.25 -1.07 0.00 0.00 179.97 181.72 1k3s h LEU 62 N 0.94 0.58 -1.39 3.04 5.85 -0.90 -0.66 115.31 122.77 1k3s h LEU 62 Ca 0.16 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.00 1k3s h LEU 62 Cb 0.60 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1k3s h LEU 62 CO 0.04 0.39 0.53 0.78 -0.34 0.00 0.00 178.44 179.83 1k3s h ASN 63 N 0.67 0.58 -0.28 1.25 2.35 -1.02 0.81 115.58 119.94 1k3s h ASN 63 Ca 0.25 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.92 1k3s h ASN 63 Cb 0.16 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1k3s h ASN 63 CO -0.07 0.32 -0.21 0.22 -1.65 0.00 0.00 177.43 176.04 1k3s h TYR 64 N 0.63 0.84 0.00 1.19 3.20 -1.15 -3.34 116.97 118.35 1k3s h TYR 64 Ca 0.39 -0.19 -0.31 0.00 3.14 0.00 0.00 58.73 61.76 1k3s h TYR 64 Cb 0.63 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 1k3s h TYR 64 CO -0.00 0.89 -2.25 0.25 -1.64 0.00 0.00 178.16 175.42 1k3s n THR 65 N -4.12 1.24 -2.26 1.81 -2.24 -0.38 -4.99 114.28 103.33 1k3s n THR 65 Ca 0.00 -0.81 -0.35 0.00 -2.27 0.00 0.00 64.05 60.62 1k3s n THR 65 Cb 0.42 -0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1k3s n THR 65 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k3s s SER 66 N -5.44 5.80 0.31 3.42 1.04 0.27 -4.94 113.70 114.16 1k3s s SER 66 Ca -0.09 2.20 0.13 0.00 0.48 0.00 0.00 55.95 58.67 1k3s s SER 66 Cb 0.07 -2.58 0.48 0.00 0.10 0.00 0.00 66.02 64.08 1k3s s SER 66 CO 0.84 -1.16 1.66 0.00 0.98 0.00 0.00 173.24 175.56 1k3s h ALA 67 N 1.35 1.01 -3.44 5.32 0.00 -1.90 -3.44 119.26 118.16 1k3s h ALA 67 Ca -0.50 -0.48 -0.66 0.00 0.00 0.00 0.00 54.91 53.27 1k3s h ALA 67 Cb 1.26 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1k3s h ALA 67 CO 0.57 0.66 -0.68 0.14 0.00 0.00 0.00 179.25 179.95 1k3s s VAL 68 N -3.65 3.85 0.31 0.00 -7.23 -1.26 -5.10 120.40 107.33 1k3s s VAL 68 Ca -0.01 -0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1k3s s VAL 68 Cb 0.12 -2.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 1k3s s VAL 68 CO 0.74 0.20 1.26 -0.89 -0.31 0.00 0.00 175.10 176.10 1k3s s THR 69 N -1.21 2.92 -0.12 5.32 2.01 -1.14 -4.86 115.64 118.56 1k3s s THR 69 Ca 0.23 0.92 0.03 0.00 0.31 0.00 0.00 61.69 63.17 1k3s s THR 69 Cb -0.11 -3.58 0.01 0.00 0.01 0.00 0.00 72.50 68.82 1k3s s THR 69 CO 0.14 0.22 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.44 1k3s s ILE 70 N -1.08 2.00 0.00 1.82 1.01 -1.26 -0.72 121.20 122.97 1k3s s ILE 70 Ca 0.48 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1k3s s ILE 70 Cb -0.38 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1k3s s ILE 70 CO 0.49 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.59 1k3s n GLY 71 N 3.91 3.96 3.28 6.18 0.00 0.10 -4.94 105.19 117.68 1k3s n GLY 71 Ca -0.20 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.79 1.96 0.90 4.61 0.00 -1.26 0.68 121.76 126.86 1k3s s ALA 72 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 1k3s s ALA 72 Cb 0.00 -0.46 0.13 0.00 0.00 0.00 0.00 23.12 22.79 1k3s s ALA 72 CO 0.00 0.47 1.10 0.16 0.00 0.00 0.00 175.76 177.50 1k3s s ASP 73 N -0.77 3.50 0.44 0.00 3.84 -0.92 -4.90 116.67 117.86 1k3s s ASP 73 Ca 0.09 1.23 0.15 0.00 -0.00 0.00 0.00 52.55 54.03 1k3s s ASP 73 Cb -0.09 -1.90 1.07 0.00 -1.38 0.00 0.00 42.92 40.62 1k3s s ASP 73 CO 0.00 -2.59 1.96 0.00 -0.00 0.00 0.00 175.17 174.54 1k3s h ALA 74 N -1.52 2.09 -0.18 2.11 0.00 -2.00 -1.73 119.26 118.03 1k3s h ALA 74 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1k3s h ALA 74 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1k3s h ALA 74 CO 0.58 -0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 1k3s n ASP 75 N -4.47 1.44 -2.93 0.00 8.00 -1.26 -4.91 116.55 112.43 1k3s n ASP 75 Ca 0.11 -1.76 -0.21 0.00 0.71 0.00 0.00 54.79 53.64 1k3s n ASP 75 Cb 0.45 -0.12 0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1k3s n ASP 75 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1k3s n ASN 76 N 0.20 -5.38 -0.11 -2.24 4.13 -0.65 -4.87 115.26 106.33 1k3s n ASN 76 Ca 0.14 -0.21 -0.14 0.00 1.68 0.00 0.00 54.58 56.05 1k3s n ASN 76 Cb 0.27 -4.40 -0.14 0.00 -1.54 0.00 0.00 39.78 33.97 1k3s n ASN 76 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1k3s n THR 77 N -4.20 1.44 -4.11 3.41 -2.24 -1.26 -4.76 114.28 102.56 1k3s n THR 77 Ca -0.12 -0.71 -0.10 0.00 -2.27 0.00 0.00 64.05 60.85 1k3s n THR 77 Cb 0.62 -0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 67.79 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 -2.51 0.69 0.15 6.98 0.00 -1.26 -1.26 121.76 124.55 1k3s s ALA 78 Ca -0.23 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.39 1k3s s ALA 78 Cb 0.08 0.15 -0.08 0.00 0.00 0.00 0.00 23.12 23.27 1k3s s ALA 78 CO 0.71 -0.20 0.78 -0.51 0.00 0.00 0.00 175.76 176.54 1k3s s LEU 79 N -2.48 4.57 0.01 0.00 1.43 -1.26 -2.16 118.68 118.79 1k3s s LEU 79 Ca 0.02 1.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.78 1k3s s LEU 79 Cb 0.00 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 1k3s s LEU 79 CO -0.04 0.17 -0.12 -0.69 0.23 0.00 0.00 176.35 175.90 1k3s s VAL 80 N -0.94 0.98 -0.09 -1.59 1.01 0.21 -2.29 120.40 117.69 1k3s s VAL 80 Ca 0.36 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1k3s s VAL 80 Cb -0.23 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1k3s s VAL 80 CO 0.26 0.14 0.13 0.00 0.00 0.00 0.00 175.10 175.63 1k3s s ALA 81 N -0.54 3.82 0.15 5.51 0.00 -0.38 0.02 121.76 130.34 1k3s s ALA 81 Ca 0.03 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1k3s s ALA 81 Cb -0.06 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1k3s s ALA 81 CO 0.00 0.64 0.31 -0.48 0.00 0.00 0.00 175.76 176.23 1k3s s LEU 82 N -1.19 0.88 -0.05 0.00 0.05 0.10 -0.58 118.68 117.89 1k3s s LEU 82 Ca 0.17 -0.70 -0.02 0.00 0.05 0.00 0.00 54.13 53.63 1k3s s LEU 82 Cb -0.12 1.36 0.04 0.00 -2.05 0.00 0.00 46.19 45.42 1k3s s LEU 82 CO 0.07 -0.87 0.09 -0.47 -0.55 0.00 0.00 176.35 174.62 1k3s s TYR 83 N -3.91 -0.05 -0.15 3.48 5.04 -1.26 -2.87 117.35 117.62 1k3s s TYR 83 Ca 0.11 0.36 -0.14 0.00 -2.44 0.00 0.00 57.07 54.97 1k3s s TYR 83 Cb 0.03 -0.29 -0.05 0.00 0.35 0.00 0.00 41.96 42.01 1k3s s TYR 83 CO -0.04 -0.18 0.31 1.03 -1.34 0.00 0.00 175.55 175.32 1k3s s ARG 84 N 1.73 4.22 -0.05 4.97 0.52 -1.26 -4.36 118.95 124.71 1k3s s ARG 84 Ca -0.02 0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.34 1k3s s ARG 84 Cb -0.12 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 31.95 1k3s s ARG 84 CO -0.04 0.27 -0.10 -1.17 0.02 0.00 0.00 175.30 174.28 1k3s s LEU 85 N 0.35 1.59 0.27 2.53 2.96 -0.09 -4.99 118.68 121.30 1k3s s LEU 85 Ca 0.18 -0.23 -0.31 0.00 -0.22 0.00 0.00 54.13 53.55 1k3s s LEU 85 Cb -0.13 -0.68 -0.13 0.00 0.50 0.00 0.00 46.19 45.75 1k3s s LEU 85 CO 0.05 0.02 1.49 -2.65 -1.32 0.00 0.00 176.35 173.94 1k3s n PRO 86 N 3.77 2.35 0.00 0.98 -0.02 -1.26 -0.96 135.00 139.87 1k3s n PRO 86 Ca -0.23 0.84 0.03 0.00 -2.02 0.00 0.00 63.50 62.12 1k3s n PRO 86 Cb 0.52 -2.55 0.16 0.00 -0.02 0.00 0.00 33.50 31.61 1k3s n PRO 86 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1k3s n GLN 87 N 2.05 0.10 -0.10 -0.52 1.13 -0.16 -0.57 117.38 119.31 1k3s n GLN 87 Ca 0.10 0.21 0.12 0.00 -1.94 0.00 0.00 57.00 55.48 1k3s n GLN 87 Cb 0.34 -1.50 0.21 0.00 0.11 0.00 0.00 30.24 29.40 1k3s n GLN 87 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1k3s n THR 88 N -1.26 0.28 -1.21 5.09 -2.24 -1.26 -4.73 114.28 108.94 1k3s n THR 88 Ca 0.03 -0.60 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 1k3s n THR 88 Cb 0.05 1.08 0.10 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.70 4.25 0.52 3.42 0.01 0.26 -5.03 113.70 115.44 1k3s s SER 89 Ca 0.35 1.80 -0.13 0.00 1.31 0.00 0.00 55.95 59.27 1k3s s SER 89 Cb 0.21 -2.48 -0.06 0.00 0.21 0.00 0.00 66.02 63.90 1k3s s SER 89 CO 0.31 -2.19 0.94 0.42 0.41 0.00 0.00 173.24 173.13 1k3s s THR 90 N -2.89 4.65 0.28 1.44 -4.23 -1.26 -4.92 115.64 108.70 1k3s s THR 90 Ca 0.62 0.96 0.01 0.00 -1.18 0.00 0.00 61.69 62.10 1k3s s THR 90 Cb -0.18 -3.77 0.27 0.00 1.34 0.00 0.00 72.50 70.16 1k3s s THR 90 CO 0.56 -0.78 1.80 -0.08 -0.54 0.00 0.00 174.62 175.58 1k3s h GLU 91 N 0.64 0.81 -0.58 3.99 4.22 -1.95 -1.15 114.58 120.54 1k3s h GLU 91 Ca -0.46 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 58.90 1k3s h GLU 91 Cb 1.19 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1k3s h GLU 91 CO 0.62 0.53 0.25 1.49 -2.18 0.00 0.00 179.01 179.73 1k3s h GLU 92 N 0.83 0.85 -0.23 1.92 4.81 -1.98 -0.94 114.58 119.85 1k3s h GLU 92 Ca 0.49 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1k3s h GLU 92 Cb 0.60 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1k3s h GLU 92 CO -0.31 0.71 -0.13 0.93 -0.73 0.00 0.00 179.01 179.49 1k3s h GLU 93 N 0.79 0.38 0.16 1.92 5.08 -1.63 0.83 114.58 122.11 1k3s h GLU 93 Ca 0.20 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1k3s h GLU 93 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1k3s h GLU 93 CO -0.02 0.51 -0.08 0.00 -1.00 0.00 0.00 179.01 178.42 1k3s h ALA 94 N 1.52 -0.21 -0.09 3.43 0.00 -0.71 0.10 119.26 123.30 1k3s h ALA 94 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k3s h ALA 94 Cb 0.44 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1k3s h ALA 94 CO 0.03 -0.49 0.05 1.25 0.00 0.00 0.00 179.25 180.09 1k3s h LEU 95 N -0.48 0.11 -0.63 0.00 5.85 -0.90 0.93 115.31 120.19 1k3s h LEU 95 Ca -0.02 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1k3s h LEU 95 Cb 0.38 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1k3s h LEU 95 CO 0.04 0.17 0.26 0.71 -0.34 0.00 0.00 178.44 179.28 1k3s h THR 96 N 0.04 1.23 -0.67 1.05 1.35 -0.88 -1.10 112.91 113.93 1k3s h THR 96 Ca 0.03 -0.71 0.02 0.00 -0.55 0.00 0.00 66.41 65.21 1k3s h THR 96 Cb 0.08 0.52 -0.04 0.00 -1.73 0.00 0.00 68.15 66.98 1k3s h THR 96 CO -0.00 0.28 0.42 1.23 -0.25 0.00 0.00 175.52 177.20 1k3s h GLY 97 N 0.88 0.96 0.75 5.82 0.00 -0.54 -0.59 103.07 110.36 1k3s h GLY 97 Ca 0.21 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.25 1k3s h GLY 97 CO -0.02 0.28 0.10 -2.75 0.00 0.00 0.00 176.54 174.15 1k3s h PHE 98 N 0.84 0.17 -0.69 5.60 3.57 -0.30 0.95 116.94 127.07 1k3s h PHE 98 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1k3s h PHE 98 Cb -0.01 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1k3s h PHE 98 CO -0.04 0.08 0.35 0.93 -2.23 0.00 0.00 178.31 177.39 1k3s h GLU 99 N 0.22 0.99 -0.18 1.11 5.08 -0.64 -1.14 114.58 120.02 1k3s h GLU 99 Ca 0.13 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1k3s h GLU 99 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1k3s h GLU 99 CO -0.14 0.77 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.13 1k3s h LEU 100 N 0.96 0.47 0.46 1.33 3.38 -0.83 -2.19 115.31 118.90 1k3s h LEU 100 Ca 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1k3s h LEU 100 Cb 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1k3s h LEU 100 CO -0.03 0.85 -0.22 0.15 0.09 0.00 0.00 178.44 179.27 1k3s h PHE 101 N 0.36 -0.58 -0.59 1.13 -0.00 -0.40 -0.49 116.94 116.37 1k3s h PHE 101 Ca 0.03 -0.01 0.12 0.00 -0.00 0.00 0.00 57.97 58.10 1k3s h PHE 101 Cb 0.92 0.19 -0.09 0.00 -0.00 0.00 0.00 35.95 36.97 1k3s h PHE 101 CO 0.03 -0.35 0.06 0.82 -0.00 0.00 0.00 178.31 178.87 1k3s h ILE 102 N -0.64 0.58 -0.49 1.41 1.08 -1.14 0.17 117.51 118.48 1k3s h ILE 102 Ca -0.06 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 1k3s h ILE 102 Cb 0.49 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1k3s h ILE 102 CO 0.10 0.03 0.28 -1.28 -0.69 0.00 0.00 178.15 176.60 1k3s h SER 103 N 0.18 0.44 -0.26 1.72 0.87 -1.09 -0.05 113.55 115.36 1k3s h SER 103 Ca 0.31 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1k3s h SER 103 Cb 0.48 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1k3s h SER 103 CO -0.45 0.31 -0.03 0.78 -0.53 0.00 0.00 176.83 176.91 1k3s h ASN 104 N 0.56 0.49 -0.16 6.23 2.35 0.08 -3.05 115.58 122.08 1k3s h ASN 104 Ca 0.20 -0.34 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 1k3s h ASN 104 Cb 0.04 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1k3s h ASN 104 CO -0.10 0.71 -0.15 0.58 -1.65 0.00 0.00 177.43 176.82 1k3s h VAL 105 N 0.25 1.24 -0.46 2.81 2.07 -0.56 -1.01 116.25 120.59 1k3s h VAL 105 Ca 0.07 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1k3s h VAL 105 Cb 0.48 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1k3s h VAL 105 CO 0.02 0.36 0.28 0.50 0.02 0.00 0.00 177.57 178.75 1k3s h LYS 106 N 0.50 0.55 -0.07 1.57 3.64 -0.96 0.81 116.57 122.60 1k3s h LYS 106 Ca 0.09 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.25 1k3s h LYS 106 Cb 0.55 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1k3s h LYS 106 CO 0.04 0.36 -0.74 0.37 -2.27 0.00 0.00 179.45 177.21 1k3s h GLN 107 N 0.56 0.40 -0.13 1.90 4.15 -1.41 -2.33 115.11 118.25 1k3s h GLN 107 Ca 0.18 -0.33 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1k3s h GLN 107 Cb 0.00 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1k3s h GLN 107 CO -0.08 0.97 0.07 1.25 -1.93 0.00 0.00 178.83 179.12 1k3s h LEU 108 N 0.27 0.16 -0.25 -2.39 5.85 -0.77 -2.13 115.31 116.05 1k3s h LEU 108 Ca -0.03 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1k3s h LEU 108 Cb 1.31 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1k3s h LEU 108 CO 0.13 0.20 0.11 0.50 -0.34 0.00 0.00 178.44 179.04 1k3s h LYS 109 N 0.11 0.36 0.00 1.25 3.64 -0.85 0.83 116.57 121.91 1k3s h LYS 109 Ca 0.05 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1k3s h LYS 109 Cb 0.08 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1k3s h LYS 109 CO -0.01 0.37 -0.14 1.05 -2.27 0.00 0.00 179.45 178.45 1k3s h GLU 110 N 0.26 0.00 0.01 1.90 4.11 -1.35 -0.20 114.58 119.31 1k3s h GLU 110 Ca 0.08 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.16 1k3s h GLU 110 Cb 0.13 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1k3s h GLU 110 CO -0.01 0.14 -2.17 0.72 0.07 0.00 0.00 179.01 177.76 1k3s n HIS 111 N -3.63 0.40 0.03 2.06 8.25 -0.81 -4.72 115.22 116.80 1k3s n HIS 111 Ca -0.02 0.13 0.01 0.00 -0.26 0.00 0.00 57.72 57.58 1k3s n HIS 111 Cb 0.27 -1.07 -0.01 0.00 1.12 0.00 0.00 29.99 30.30 1k3s n HIS 111 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1k3s n TYR 112 N -2.98 0.00 1.58 4.41 4.01 0.27 -5.10 117.16 119.35 1k3s n TYR 112 Ca -0.30 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.58 1k3s n TYR 112 Cb 1.09 -0.01 0.59 0.00 -0.31 0.00 0.00 39.34 40.71 1k3s n TYR 112 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40