#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy n GLU 2 N 0.00 0.27 -0.73 3.17 2.13 -1.26 -4.99 120.64 119.23 3phy n GLU 2 Ca 0.00 -0.54 0.01 0.00 0.66 0.00 0.00 57.16 57.29 3phy n GLU 2 Cb 0.00 0.04 0.26 0.00 0.27 0.00 0.00 31.44 32.01 3phy n GLU 2 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3phy n HIS 3 N -0.43 1.51 -4.25 4.31 8.25 -1.26 -4.99 115.22 118.37 3phy n HIS 3 Ca -0.16 -1.15 -0.13 0.00 -0.26 0.00 0.00 57.72 56.02 3phy n HIS 3 Cb 0.62 -0.49 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 3phy n HIS 3 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3phy n VAL 4 N -0.52 0.00 0.00 1.59 3.14 -1.26 -5.09 118.33 116.19 3phy n VAL 4 Ca 0.31 -1.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.41 3phy n VAL 4 Cb 1.10 0.49 0.00 0.00 -1.06 0.00 0.00 33.84 34.37 3phy n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3phy n ALA 5 N -1.93 0.00 -0.29 1.55 0.00 -1.26 -4.64 120.51 113.94 3phy n ALA 5 Ca -0.08 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.62 3phy n ALA 5 Cb 0.33 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.25 3phy n ALA 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3phy n PHE 6 N -1.10 0.96 0.00 0.00 3.01 -1.26 -3.93 117.46 115.14 3phy n PHE 6 Ca 0.00 1.07 0.00 0.00 1.01 0.00 0.00 57.45 59.53 3phy n PHE 6 Cb 0.00 -1.41 0.00 0.00 -0.01 0.00 0.00 39.48 38.06 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3phy n GLY 7 N -1.28 0.00 3.56 1.37 0.00 -1.26 -5.15 105.19 102.43 3phy n GLY 7 Ca 0.32 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 3phy n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3phy s SER 8 N 0.00 1.06 -0.63 1.61 1.04 -1.25 -4.97 113.70 110.56 3phy s SER 8 Ca 0.00 0.89 0.05 0.00 0.48 0.00 0.00 55.95 57.37 3phy s SER 8 Cb 0.00 -1.32 0.33 0.00 0.10 0.00 0.00 66.02 65.12 3phy s SER 8 CO 0.00 -4.07 0.99 -0.62 0.98 0.00 0.00 173.24 170.53 3phy n GLU 9 N -4.76 3.33 -3.17 4.02 1.02 -1.26 -4.78 120.64 115.04 3phy n GLU 9 Ca 0.10 -4.83 -0.05 0.00 -0.02 0.00 0.00 57.16 52.36 3phy n GLU 9 Cb 0.58 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3phy n ASP 10 N -0.07 -7.31 0.10 1.62 9.92 -1.26 -4.77 116.55 114.78 3phy n ASP 10 Ca 0.32 -0.19 -0.04 0.00 -0.53 0.00 0.00 54.79 54.35 3phy n ASP 10 Cb 0.38 -4.69 -0.02 0.00 -0.64 0.00 0.00 41.12 36.15 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3phy h ILE 11 N 0.44 0.00 -1.34 0.53 5.03 -1.97 -2.29 117.51 117.90 3phy h ILE 11 Ca -0.11 -0.17 0.43 0.00 -0.12 0.00 0.00 64.86 64.89 3phy h ILE 11 Cb 1.07 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.76 3phy h ILE 11 CO 0.31 0.00 0.91 -1.84 -0.68 0.00 0.00 178.15 176.85 3phy n GLU 12 N -3.22 -0.02 0.02 2.37 0.28 -1.26 0.14 120.64 118.95 3phy n GLU 12 Ca -0.03 0.99 -0.20 0.00 -0.16 0.00 0.00 57.16 57.75 3phy n GLU 12 Cb 0.11 -2.07 -0.14 0.00 1.43 0.00 0.00 31.44 30.77 3phy n GLU 12 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 3phy h ASN 13 N 0.00 0.40 0.39 -1.84 -0.73 -1.93 -3.04 115.58 108.83 3phy h ASN 13 Ca 0.75 -0.90 0.00 0.00 1.87 0.00 0.00 56.30 58.02 3phy h ASN 13 Cb 2.67 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 41.13 3phy h ASN 13 CO -0.24 1.46 0.00 0.41 -0.37 0.00 0.00 177.43 178.69 3phy n THR 14 N -4.08 1.21 0.01 -3.57 -1.04 0.36 -2.01 114.28 105.16 3phy n THR 14 Ca -0.19 0.31 0.10 0.00 -2.04 0.00 0.00 64.05 62.24 3phy n THR 14 Cb 0.83 -1.13 -0.13 0.00 -1.82 0.00 0.00 70.33 68.07 3phy n THR 14 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3phy n LEU 15 N -1.56 0.19 0.01 -4.42 4.77 0.10 -2.58 117.00 113.51 3phy n LEU 15 Ca 0.03 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.19 3phy n LEU 15 Cb 0.13 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3phy n LEU 15 CO 0.11 -0.02 0.04 0.00 -1.33 0.00 0.00 177.39 176.19 3phy n ALA 16 N -2.26 3.85 -0.00 -1.18 0.00 -0.85 -4.41 120.51 115.66 3phy n ALA 16 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3phy n ALA 16 Cb 0.59 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 3phy n ALA 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3phy n LYS 17 N -1.73 1.32 -1.71 0.00 0.00 -0.98 -5.03 118.16 110.04 3phy n LYS 17 Ca 0.03 -0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.95 3phy n LYS 17 Cb 0.39 -1.01 0.04 0.00 0.00 0.00 0.00 35.03 34.45 3phy n LYS 17 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 3phy n MET 18 N -1.68 1.54 -0.08 1.64 1.56 -1.07 -4.93 117.12 114.10 3phy n MET 18 Ca -0.00 0.57 -0.19 0.00 -0.27 0.00 0.00 57.70 57.80 3phy n MET 18 Cb 0.18 -2.46 -0.13 0.00 2.15 0.00 0.00 33.22 32.97 3phy n MET 18 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3phy n ASP 19 N -0.79 2.03 0.00 6.12 8.00 -1.26 -4.96 116.55 125.69 3phy n ASP 19 Ca 0.11 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3phy n ASP 19 Cb 0.44 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 3phy n ASP 19 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3phy n ASP 20 N -3.37 0.00 -3.29 -2.24 5.68 -1.26 -5.00 116.55 107.07 3phy n ASP 20 Ca -0.41 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.50 3phy n ASP 20 Cb 1.01 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 41.00 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3phy n GLY 21 N 0.00 5.91 0.05 6.12 0.00 -1.26 -4.48 105.19 111.53 3phy n GLY 21 Ca 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.42 3phy n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3phy n GLN 22 N -0.23 0.00 -0.20 1.61 7.27 -1.26 -4.78 117.38 119.80 3phy n GLN 22 Ca 0.46 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.61 3phy n GLN 22 Cb 0.30 -0.67 0.23 0.00 2.41 0.00 0.00 30.24 32.51 3phy n GLN 22 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3phy n LEU 23 N -1.90 2.32 0.00 1.69 -0.00 -1.26 -4.07 117.00 113.77 3phy n LEU 23 Ca 0.00 -1.12 0.09 0.00 -0.00 0.00 0.00 56.01 54.98 3phy n LEU 23 Cb 0.19 -0.26 0.44 0.00 -0.00 0.00 0.00 43.42 43.78 3phy n LEU 23 CO 0.00 0.56 0.77 -0.90 -0.00 0.00 0.00 177.39 177.82 3phy n ASP 24 N 0.76 0.00 -2.24 1.45 5.75 -1.26 -2.72 116.55 118.29 3phy n ASP 24 Ca 0.15 0.14 -0.26 0.00 -0.01 0.00 0.00 54.79 54.81 3phy n ASP 24 Cb 0.38 -0.33 0.16 0.00 -1.03 0.00 0.00 41.12 40.30 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3phy n GLY 25 N 0.26 4.82 3.83 6.12 0.00 -1.26 -4.32 105.19 114.64 3phy n GLY 25 Ca 0.08 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 3phy n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3phy s LEU 26 N -3.42 3.87 -0.07 0.99 1.43 -1.10 -5.00 118.68 115.38 3phy s LEU 26 Ca 0.59 -0.18 0.13 0.00 -1.03 0.00 0.00 54.13 53.63 3phy s LEU 26 Cb 0.49 -2.42 0.50 0.00 0.03 0.00 0.00 46.19 44.78 3phy s LEU 26 CO 0.08 -0.01 1.36 0.00 0.23 0.00 0.00 176.35 178.01 3phy n ALA 27 N -0.99 2.88 -3.00 4.21 0.00 -1.26 -4.76 120.51 117.59 3phy n ALA 27 Ca -0.08 -1.07 -0.11 0.00 0.00 0.00 0.00 53.44 52.18 3phy n ALA 27 Cb 0.57 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 3phy n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3phy s PHE 28 N -1.71 -0.07 -0.37 0.00 -0.71 -1.26 -3.13 117.98 110.73 3phy s PHE 28 Ca 0.35 -0.07 -0.29 0.00 -1.04 0.00 0.00 56.93 55.89 3phy s PHE 28 Cb 0.22 0.06 0.02 0.00 -1.21 0.00 0.00 43.02 42.11 3phy s PHE 28 CO 0.18 -0.47 1.10 0.20 -1.34 0.00 0.00 175.22 174.89 3phy s GLY 29 N -1.97 1.47 -0.98 1.99 0.00 -0.93 -4.58 107.32 102.32 3phy s GLY 29 Ca -0.06 -0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.30 3phy s GLY 29 CO -0.02 2.32 1.14 0.00 0.00 0.00 0.00 173.10 176.54 3phy s ALA 30 N 3.92 3.63 0.07 3.20 0.00 -0.79 -2.83 121.76 128.96 3phy s ALA 30 Ca 0.46 -2.99 -0.02 0.00 0.00 0.00 0.00 51.96 49.40 3phy s ALA 30 Cb -0.11 -3.98 -0.05 0.00 0.00 0.00 0.00 23.12 18.99 3phy s ALA 30 CO 0.21 -2.83 0.26 0.96 0.00 0.00 0.00 175.76 174.36 3phy s ILE 31 N 2.01 5.32 0.47 0.00 -5.25 -1.18 -3.34 121.20 119.24 3phy s ILE 31 Ca 0.33 -0.18 0.04 0.00 -0.99 0.00 0.00 60.65 59.85 3phy s ILE 31 Cb -0.05 -3.61 -0.03 0.00 2.95 0.00 0.00 42.46 41.71 3phy s ILE 31 CO -0.07 0.16 0.07 -1.10 -1.79 0.00 0.00 174.94 172.20 3phy s GLN 32 N -2.39 2.13 -0.04 0.37 -0.21 -1.17 -1.27 119.66 117.07 3phy s GLN 32 Ca 0.35 -2.20 -0.22 0.00 0.02 0.00 0.00 55.36 53.31 3phy s GLN 32 Cb -0.13 -1.68 0.04 0.00 1.00 0.00 0.00 33.01 32.25 3phy s GLN 32 CO 0.25 -0.25 0.48 -0.51 -2.12 0.00 0.00 175.29 173.13 3phy s LEU 33 N -3.87 0.16 -0.10 2.90 1.43 0.31 -2.40 118.68 117.10 3phy s LEU 33 Ca 0.22 0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.72 3phy s LEU 33 Cb 0.04 1.85 0.02 0.00 0.03 0.00 0.00 46.19 48.13 3phy s LEU 33 CO 0.12 -0.51 -0.07 1.51 0.23 0.00 0.00 176.35 177.63 3phy s ASP 34 N -1.21 2.03 0.00 2.29 1.47 -0.73 -2.59 116.67 117.93 3phy s ASP 34 Ca -0.12 -0.27 0.00 0.00 1.18 0.00 0.00 52.55 53.34 3phy s ASP 34 Cb -0.03 -0.77 0.00 0.00 -0.34 0.00 0.00 42.92 41.78 3phy s ASP 34 CO 0.07 -0.12 0.00 0.61 0.68 0.00 0.00 175.17 176.41 3phy n GLY 35 N 4.86 0.02 0.00 2.12 0.00 -1.26 -1.22 105.19 109.71 3phy n GLY 35 Ca -0.13 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.00 3phy n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3phy n ASP 36 N 0.07 0.00 0.00 1.61 9.92 -1.26 -4.79 116.55 122.11 3phy n ASP 36 Ca 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 3phy n ASP 36 Cb 0.00 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 37 N -0.46 0.70 3.74 0.44 0.00 -0.36 -4.93 105.19 104.32 3phy n GLY 37 Ca 0.04 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3phy n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3phy s ASN 38 N -2.43 7.13 0.26 1.61 -0.87 -1.20 -2.18 114.94 117.26 3phy s ASN 38 Ca 0.00 2.23 -0.30 0.00 -1.57 0.00 0.00 52.86 53.22 3phy s ASN 38 Cb 0.00 -2.61 -0.11 0.00 -0.02 0.00 0.00 41.25 38.51 3phy s ASN 38 CO 0.00 -0.32 1.57 -0.51 -2.57 0.00 0.00 177.10 175.28 3phy s ILE 39 N -0.30 2.27 -0.20 0.60 1.10 -1.16 -1.77 121.20 121.75 3phy s ILE 39 Ca 0.51 0.22 0.13 0.00 -0.51 0.00 0.00 60.65 61.00 3phy s ILE 39 Cb -0.32 -3.14 -0.23 0.00 0.15 0.00 0.00 42.46 38.92 3phy s ILE 39 CO 0.38 0.03 0.07 0.18 -2.11 0.00 0.00 174.94 173.48 3phy n LEU 40 N 2.67 0.80 0.00 8.50 4.77 -1.01 -4.34 117.00 128.39 3phy n LEU 40 Ca 0.10 0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3phy n LEU 40 Cb 0.38 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3phy n LEU 40 CO 0.63 0.60 0.15 0.00 -1.33 0.00 0.00 177.39 177.44 3phy n GLN 41 N -2.91 0.37 0.05 3.23 -0.00 -1.26 -4.90 117.38 111.96 3phy n GLN 41 Ca -0.34 -0.93 0.00 0.00 -0.00 0.00 0.00 57.00 55.73 3phy n GLN 41 Cb 1.11 1.05 0.00 0.00 -0.00 0.00 0.00 30.24 32.40 3phy n GLN 41 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 3phy n TYR 42 N -0.21 -2.86 0.00 2.61 9.36 -1.21 -3.06 117.16 121.79 3phy n TYR 42 Ca -0.02 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.53 3phy n TYR 42 Cb 0.23 1.20 0.00 0.00 -0.63 0.00 0.00 39.34 40.14 3phy n TYR 42 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3phy n ASN 43 N -2.66 0.00 0.07 2.98 6.94 -1.26 -1.88 115.26 119.46 3phy n ASN 43 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 54.58 54.69 3phy n ASN 43 Cb 0.00 0.00 0.36 0.00 -2.36 0.00 0.00 39.78 37.78 3phy n ASN 43 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3phy n ALA 44 N 0.95 2.55 0.39 -2.53 0.00 -1.26 -3.38 120.51 117.23 3phy n ALA 44 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 3phy n ALA 44 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.01 3phy n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3phy h ALA 45 N 2.61 -1.26 -0.53 0.00 0.00 -1.85 0.22 119.26 118.45 3phy h ALA 45 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3phy h ALA 45 Cb 0.70 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3phy h ALA 45 CO 0.00 -1.19 0.01 1.05 0.00 0.00 0.00 179.25 179.12 3phy h GLU 46 N -1.02 0.92 0.00 0.00 4.11 -1.81 -1.44 114.58 115.34 3phy h GLU 46 Ca -0.10 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.04 3phy h GLU 46 Cb 0.79 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3phy h GLU 46 CO 0.15 0.93 0.06 0.78 0.07 0.00 0.00 179.01 181.01 3phy h GLY 47 N 0.79 0.00 1.31 1.06 0.00 -1.43 0.09 103.07 104.90 3phy h GLY 47 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.23 3phy h GLY 47 CO 0.02 0.00 -1.44 -0.55 0.00 0.00 0.00 176.54 174.57 3phy h ASP 48 N 0.00 0.00 0.21 0.19 3.32 0.55 0.50 116.42 121.20 3phy h ASP 48 Ca 0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 3phy h ASP 48 Cb 0.13 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.71 3phy h ASP 48 CO 0.00 0.95 -1.26 0.40 -1.72 0.00 0.00 179.24 177.62 3phy h ILE 49 N 0.00 1.35 -0.14 0.35 5.03 -0.84 -3.35 117.51 119.91 3phy h ILE 49 Ca -0.19 -2.63 0.00 0.00 -0.12 0.00 0.00 64.86 61.92 3phy h ILE 49 Cb 1.89 3.09 0.00 0.00 -3.03 0.00 0.00 36.82 38.77 3phy h ILE 49 CO 0.09 0.78 0.00 1.07 -0.68 0.00 0.00 178.15 179.41 3phy n THR 50 N -3.86 0.41 -0.77 -0.27 5.66 -0.50 -4.96 114.28 109.98 3phy n THR 50 Ca -0.16 -0.70 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 3phy n THR 50 Cb 1.00 0.93 0.00 0.00 -1.55 0.00 0.00 70.33 70.71 3phy n THR 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3phy n GLY 51 N 0.55 1.42 3.57 1.09 0.00 0.17 -4.93 105.19 107.06 3phy n GLY 51 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3phy n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3phy s ARG 52 N -0.01 2.97 1.29 1.61 0.52 -0.73 -4.83 118.95 119.77 3phy s ARG 52 Ca 0.00 -1.07 -0.19 0.00 -0.52 0.00 0.00 55.73 53.95 3phy s ARG 52 Cb 0.00 -5.27 0.32 0.00 0.52 0.00 0.00 34.95 30.52 3phy s ARG 52 CO 0.00 -3.21 1.00 -0.51 0.02 0.00 0.00 175.30 172.61 3phy s ASP 53 N 6.26 0.05 -0.01 0.23 1.11 -1.26 -2.98 116.67 120.07 3phy s ASP 53 Ca 0.63 0.95 -0.20 0.00 0.18 0.00 0.00 52.55 54.11 3phy s ASP 53 Cb -0.01 -1.40 -0.26 0.00 1.07 0.00 0.00 42.92 42.32 3phy s ASP 53 CO 0.05 -4.69 1.04 1.55 1.18 0.00 0.00 175.17 174.30 3phy h PRO 54 N -2.96 0.38 0.00 8.23 0.13 -1.93 -2.64 132.00 133.20 3phy h PRO 54 Ca -0.49 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 3phy h PRO 54 Cb 1.33 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.60 3phy h PRO 54 CO 0.37 1.15 0.00 1.57 -0.23 0.00 0.00 178.00 180.85 3phy h LYS 55 N -0.17 0.00 0.02 0.86 2.10 -1.95 -1.86 116.57 115.56 3phy h LYS 55 Ca -0.10 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.28 3phy h LYS 55 Cb 1.42 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.71 3phy h LYS 55 CO 0.13 0.00 -1.52 0.94 -2.00 0.00 0.00 179.45 177.00 3phy n GLN 56 N -2.52 0.59 0.00 0.07 7.27 -1.21 -4.01 117.38 117.58 3phy n GLN 56 Ca 0.00 0.50 0.08 0.00 0.07 0.00 0.00 57.00 57.65 3phy n GLN 56 Cb 0.17 -1.71 0.36 0.00 2.41 0.00 0.00 30.24 31.48 3phy n GLN 56 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3phy n VAL 57 N -4.28 0.77 -2.17 1.69 0.24 -1.00 -4.49 118.33 109.09 3phy n VAL 57 Ca -0.35 0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 3phy n VAL 57 Cb 0.76 -0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 32.17 3phy n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3phy s ILE 58 N -2.83 3.61 0.00 1.34 1.01 -0.71 -1.38 121.20 122.24 3phy s ILE 58 Ca 0.11 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.74 3phy s ILE 58 Cb 0.10 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.94 3phy s ILE 58 CO 0.27 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3phy n GLY 59 N 3.73 3.23 3.72 6.18 0.00 -1.26 -5.02 105.19 115.78 3phy n GLY 59 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3phy n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy s LYS 60 N -0.64 4.62 -0.02 1.61 -0.14 -0.48 -4.80 119.74 119.89 3phy s LYS 60 Ca 0.00 1.50 -0.30 0.00 -1.36 0.00 0.00 55.97 55.81 3phy s LYS 60 Cb 0.00 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 3phy s LYS 60 CO 0.00 0.07 1.31 -0.80 -0.76 0.00 0.00 175.35 175.18 3phy s ASN 61 N 0.40 6.94 0.06 2.83 0.02 -1.26 -3.00 114.94 120.92 3phy s ASN 61 Ca 0.50 1.99 0.09 0.00 -1.02 0.00 0.00 52.86 54.42 3phy s ASN 61 Cb -0.24 -2.56 0.41 0.00 0.02 0.00 0.00 41.25 38.89 3phy s ASN 61 CO 0.30 -0.66 1.28 0.33 0.02 0.00 0.00 177.10 178.37 3phy n PHE 62 N 5.28 0.15 -1.28 2.20 7.35 -0.93 -1.37 117.46 128.85 3phy n PHE 62 Ca 0.12 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 3phy n PHE 62 Cb 0.45 -0.61 0.22 0.00 0.35 0.00 0.00 39.48 39.88 3phy n PHE 62 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3phy n PHE 63 N -1.65 1.00 0.14 -5.13 3.72 -1.26 -3.59 117.46 110.69 3phy n PHE 63 Ca 0.01 -1.34 0.00 0.00 -0.05 0.00 0.00 57.45 56.07 3phy n PHE 63 Cb 0.08 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 3phy n PHE 63 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3phy n LYS 64 N -0.95 0.00 0.00 -1.08 3.00 -0.73 -4.54 118.16 113.86 3phy n LYS 64 Ca 0.29 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.72 3phy n LYS 64 Cb 0.98 0.00 0.34 0.00 0.00 0.00 0.00 35.03 36.35 3phy n LYS 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3phy n ASP 65 N -3.16 0.75 -0.01 3.14 9.92 -0.47 -4.05 116.55 122.66 3phy n ASP 65 Ca 0.00 -0.57 -0.00 0.00 -0.53 0.00 0.00 54.79 53.68 3phy n ASP 65 Cb 0.00 0.16 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3phy n VAL 66 N -1.04 0.12 -3.14 2.53 0.31 -0.49 -4.80 118.33 111.82 3phy n VAL 66 Ca 0.09 -0.10 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 3phy n VAL 66 Cb 0.34 -0.44 -0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3phy n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3phy s ALA 67 N -2.11 -2.83 -1.79 3.52 0.00 -1.24 -4.99 121.76 112.33 3phy s ALA 67 Ca -0.01 0.92 0.23 0.00 0.00 0.00 0.00 51.96 53.10 3phy s ALA 67 Cb 0.01 -2.67 1.27 0.00 0.00 0.00 0.00 23.12 21.73 3phy s ALA 67 CO 0.11 -2.02 1.73 -0.35 0.00 0.00 0.00 175.76 175.23 3phy n PRO 68 N 5.00 0.57 0.04 0.00 -0.04 -1.26 -2.64 135.00 136.66 3phy n PRO 68 Ca 0.07 0.03 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 3phy n PRO 68 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 3phy n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3phy n THR 70 N -2.86 0.39 -1.85 0.00 -2.24 -1.08 -3.92 114.28 102.72 3phy n THR 70 Ca -0.08 0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 3phy n THR 70 Cb 0.80 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3phy n THR 70 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3phy n ASP 71 N -1.27 8.12 -3.90 3.42 5.68 -1.25 -0.42 116.55 126.94 3phy n ASP 71 Ca 0.09 -3.04 -0.12 0.00 -0.50 0.00 0.00 54.79 51.23 3phy n ASP 71 Cb 0.15 -1.39 -0.07 0.00 -1.14 0.00 0.00 41.12 38.67 3phy n ASP 71 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3phy s SER 72 N 0.70 0.25 -1.25 -1.12 0.01 -1.25 -4.94 113.70 106.09 3phy s SER 72 Ca 0.57 -1.23 -0.20 0.00 1.31 0.00 0.00 55.95 56.41 3phy s SER 72 Cb 0.19 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.95 3phy s SER 72 CO -0.09 -1.06 1.83 -0.81 0.41 0.00 0.00 173.24 173.52 3phy n PRO 73 N -0.39 2.53 0.00 12.44 -0.04 -1.26 -1.40 135.00 146.88 3phy n PRO 73 Ca 0.01 -2.91 0.00 0.00 -0.04 0.00 0.00 63.50 60.55 3phy n PRO 73 Cb 0.63 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 3phy n PRO 73 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3phy n GLU 74 N 8.26 0.00 -0.01 0.54 2.13 -1.26 -4.85 120.64 125.45 3phy n GLU 74 Ca 0.47 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.28 3phy n GLU 74 Cb 0.46 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.16 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3phy n PHE 75 N 0.00 0.00 0.20 4.31 -0.00 -1.12 -4.24 117.46 116.61 3phy n PHE 75 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.54 3phy n PHE 75 Cb 0.00 -0.10 0.19 0.00 -0.00 0.00 0.00 39.48 39.57 3phy n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 3phy h TYR 76 N -0.20 0.00 0.63 -5.13 3.20 -0.41 -2.88 116.97 112.18 3phy h TYR 76 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3phy h TYR 76 Cb 0.20 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.48 3phy h TYR 76 CO -0.09 0.18 -0.30 0.78 -1.64 0.00 0.00 178.16 177.09 3phy h GLY 77 N 3.52 -0.88 2.00 1.82 0.00 -1.49 -0.01 103.07 108.04 3phy h GLY 77 Ca -0.00 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3phy h GLY 77 CO 0.02 -0.32 0.00 0.50 0.00 0.00 0.00 176.54 176.74 3phy h LYS 78 N -0.92 0.00 0.04 4.80 1.79 -1.73 -1.29 116.57 119.25 3phy h LYS 78 Ca -0.09 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.13 3phy h LYS 78 Cb 0.67 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.33 3phy h LYS 78 CO 0.14 0.00 -1.07 0.35 -1.08 0.00 0.00 179.45 177.79 3phy h PHE 79 N 0.00 0.80 0.00 -1.35 3.04 -1.09 -0.67 116.94 117.67 3phy h PHE 79 Ca 0.00 -0.47 0.00 0.00 3.98 0.00 0.00 57.97 61.48 3phy h PHE 79 Cb 0.23 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.66 3phy h PHE 79 CO 0.00 1.30 0.00 1.63 -2.02 0.00 0.00 178.31 179.22 3phy n LYS 80 N -3.76 0.34 -0.07 1.11 5.02 -0.11 -1.65 118.16 119.04 3phy n LYS 80 Ca -0.10 0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.03 3phy n LYS 80 Cb 0.90 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.28 3phy n LYS 80 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3phy n GLU 81 N -1.32 0.70 -0.08 1.97 -0.58 -0.88 -3.44 120.64 117.01 3phy n GLU 81 Ca 0.12 0.19 -0.14 0.00 -0.42 0.00 0.00 57.16 56.92 3phy n GLU 81 Cb 0.24 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3phy h GLY 82 N 1.81 0.76 0.96 0.62 0.00 -1.07 -0.00 103.07 106.15 3phy h GLY 82 Ca -0.50 -0.82 0.02 0.00 0.00 0.00 0.00 47.33 46.03 3phy h GLY 82 CO -0.01 0.74 0.66 -2.08 0.00 0.00 0.00 176.54 175.85 3phy h VAL 83 N 0.42 1.23 0.00 4.60 2.07 -1.49 -0.82 116.25 122.26 3phy h VAL 83 Ca 0.03 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3phy h VAL 83 Cb 0.92 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3phy h VAL 83 CO 0.08 0.24 -0.27 0.00 0.02 0.00 0.00 177.57 177.64 3phy h ALA 84 N 1.38 0.84 0.00 1.67 0.00 -1.55 -3.26 119.26 118.35 3phy h ALA 84 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3phy h ALA 84 Cb -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3phy h ALA 84 CO -0.10 0.00 -0.89 0.77 0.00 0.00 0.00 179.25 179.03 3phy h SER 85 N 0.00 0.00 0.00 0.00 0.02 -0.22 -3.48 113.55 109.88 3phy h SER 85 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3phy h SER 85 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3phy h SER 85 CO 0.00 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 3phy n GLY 86 N 1.20 0.40 2.70 -3.77 0.00 -0.38 -4.91 105.19 100.41 3phy n GLY 86 Ca -0.01 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 3phy n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3phy n ASN 87 N 1.95 -1.87 -4.65 1.61 3.02 -1.16 -5.08 115.26 109.09 3phy n ASN 87 Ca 0.00 -2.81 -0.56 0.00 -0.03 0.00 0.00 54.58 51.18 3phy n ASN 87 Cb 0.06 1.48 -0.07 0.00 -0.61 0.00 0.00 39.78 40.64 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3phy n LEU 88 N 0.12 1.85 -3.15 3.41 0.00 -1.21 -4.78 117.00 113.24 3phy n LEU 88 Ca -0.02 1.11 0.01 0.00 0.00 0.00 0.00 56.01 57.11 3phy n LEU 88 Cb 0.74 -1.13 -0.01 0.00 0.00 0.00 0.00 43.42 43.02 3phy n LEU 88 CO -0.03 -0.80 0.13 0.54 0.00 0.00 0.00 177.39 177.22 3phy s ASN 89 N 2.08 -1.43 0.01 1.96 4.22 -1.26 -0.66 114.94 119.87 3phy s ASN 89 Ca 0.93 -0.76 -0.18 0.00 -2.14 0.00 0.00 52.86 50.71 3phy s ASN 89 Cb -1.07 1.83 0.03 0.00 1.28 0.00 0.00 41.25 43.32 3phy s ASN 89 CO 0.59 -0.15 0.39 0.28 -2.04 0.00 0.00 177.10 176.17 3phy s THR 90 N 1.82 0.05 0.34 0.54 -1.32 -1.00 -5.04 115.64 111.03 3phy s THR 90 Ca 0.16 -0.44 0.08 0.00 -1.21 0.00 0.00 61.69 60.28 3phy s THR 90 Cb -0.03 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 3phy s THR 90 CO -0.08 -0.24 0.29 0.00 -2.21 0.00 0.00 174.62 172.38 3phy s MET 91 N -1.96 1.80 0.00 7.08 0.23 -1.26 -1.94 119.30 123.25 3phy s MET 91 Ca -0.09 -2.04 0.00 0.00 -1.03 0.00 0.00 55.69 52.53 3phy s MET 91 Cb -0.02 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 3phy s MET 91 CO 0.01 -0.67 0.00 1.97 -2.03 0.00 0.00 175.02 174.30 3phy n PHE 92 N -0.65 0.00 -3.19 3.16 1.16 -1.17 -5.00 117.46 111.78 3phy n PHE 92 Ca 0.08 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.23 3phy n PHE 92 Cb 0.62 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.42 3phy n PHE 92 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3phy s GLU 93 N -2.00 3.18 0.41 3.97 2.12 -1.26 -2.20 118.70 122.92 3phy s GLU 93 Ca 0.00 -0.62 0.07 0.00 0.36 0.00 0.00 54.97 54.78 3phy s GLU 93 Cb 0.00 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 3phy s GLU 93 CO 0.00 -1.01 0.25 -0.47 -0.54 0.00 0.00 175.26 173.49 3phy s TYR 94 N 2.55 2.64 -0.21 5.30 5.04 -1.17 -5.00 117.35 126.51 3phy s TYR 94 Ca 0.17 -0.55 -0.03 0.00 -2.44 0.00 0.00 57.07 54.22 3phy s TYR 94 Cb -0.16 -2.03 0.07 0.00 0.35 0.00 0.00 41.96 40.18 3phy s TYR 94 CO 0.16 0.08 0.06 0.99 -1.34 0.00 0.00 175.55 175.50 3phy s THR 95 N -2.55 0.35 -1.14 4.34 2.01 -1.26 -2.24 115.64 115.14 3phy s THR 95 Ca 0.43 -0.55 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 3phy s THR 95 Cb 0.01 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.62 3phy s THR 95 CO 0.24 -0.31 1.57 -0.36 -0.69 0.00 0.00 174.62 175.07 3phy s PHE 96 N 1.93 2.66 -0.42 4.92 0.40 0.71 -4.71 117.98 123.47 3phy s PHE 96 Ca 0.01 -1.20 0.05 0.00 -0.60 0.00 0.00 56.93 55.19 3phy s PHE 96 Cb -0.17 -4.71 0.52 0.00 0.51 0.00 0.00 43.02 39.17 3phy s PHE 96 CO -0.12 -1.87 1.65 -3.47 0.70 0.00 0.00 175.22 172.11 3phy n ASP 97 N 8.60 4.49 -4.85 1.36 2.03 -1.26 -2.85 116.55 124.07 3phy n ASP 97 Ca 0.40 -3.75 -0.31 0.00 0.52 0.00 0.00 54.79 51.64 3phy n ASP 97 Cb 0.49 -0.71 0.01 0.00 -0.72 0.00 0.00 41.12 40.18 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3phy s TYR 98 N -3.48 3.45 0.00 -0.67 1.13 -1.26 -4.43 117.35 112.09 3phy s TYR 98 Ca 0.53 1.37 0.00 0.00 -1.41 0.00 0.00 57.07 57.56 3phy s TYR 98 Cb 0.45 -2.79 0.00 0.00 -1.10 0.00 0.00 41.96 38.52 3phy s TYR 98 CO 0.02 -0.74 0.00 1.04 -2.51 0.00 0.00 175.55 173.36 3phy n GLN 99 N -2.50 -0.00 -1.12 -3.49 6.02 -1.26 -4.42 117.38 110.62 3phy n GLN 99 Ca 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3phy n GLN 99 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3phy n MET 100 N -0.00 0.00 -2.68 -1.09 1.56 -1.26 -5.16 117.12 108.48 3phy n MET 100 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.20 3phy n MET 100 Cb 0.00 0.00 0.09 0.00 2.15 0.00 0.00 33.22 35.46 3phy n MET 100 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3phy s THR 101 N -3.64 2.18 -0.37 1.12 -4.23 -1.26 -4.99 115.64 104.44 3phy s THR 101 Ca 0.00 -0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 59.54 3phy s THR 101 Cb 0.00 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.36 3phy s THR 101 CO 0.00 0.00 1.27 -2.16 -0.54 0.00 0.00 174.62 173.19 3phy s PRO 102 N -5.02 3.80 -0.13 3.99 0.04 -1.26 -4.32 135.00 132.10 3phy s PRO 102 Ca 0.65 0.99 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 3phy s PRO 102 Cb -0.06 -3.91 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 3phy s PRO 102 CO 0.43 -1.27 -0.12 0.99 0.04 0.00 0.00 177.00 177.07 3phy s THR 103 N 4.58 3.19 -0.01 1.26 2.01 -1.13 -4.97 115.64 120.56 3phy s THR 103 Ca 0.54 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 3phy s THR 103 Cb -0.13 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3phy s THR 103 CO 0.27 0.52 0.08 -0.54 -0.69 0.00 0.00 174.62 174.25 3phy s LYS 104 N 0.31 3.06 -0.12 4.92 -0.14 -1.26 -0.21 119.74 126.30 3phy s LYS 104 Ca -0.09 -0.49 -0.20 0.00 -1.36 0.00 0.00 55.97 53.83 3phy s LYS 104 Cb -0.15 -2.85 0.05 0.00 -1.68 0.00 0.00 37.83 33.19 3phy s LYS 104 CO 0.05 0.65 0.51 0.14 -0.76 0.00 0.00 175.35 175.94 3phy s VAL 105 N -1.18 0.01 -0.27 3.17 -7.23 -0.95 -1.85 120.40 112.11 3phy s VAL 105 Ca 0.22 -0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 59.98 3phy s VAL 105 Cb -0.12 -0.76 0.01 0.00 0.56 0.00 0.00 36.38 36.06 3phy s VAL 105 CO 0.13 -0.07 1.15 -0.54 -0.31 0.00 0.00 175.10 175.47 3phy s LYS 106 N -0.46 4.11 0.11 4.82 3.01 0.06 -3.03 119.74 128.36 3phy s LYS 106 Ca -0.06 1.28 0.00 0.00 -1.01 0.00 0.00 55.97 56.18 3phy s LYS 106 Cb -0.03 -3.75 -0.04 0.00 -1.01 0.00 0.00 37.83 33.00 3phy s LYS 106 CO 0.04 -0.85 0.27 0.14 0.51 0.00 0.00 175.35 175.45 3phy s VAL 107 N 3.68 5.33 -0.29 3.17 -7.23 -0.93 -1.00 120.40 123.13 3phy s VAL 107 Ca 0.49 -0.43 0.03 0.00 -1.81 0.00 0.00 61.98 60.25 3phy s VAL 107 Cb -0.15 -3.67 0.18 0.00 0.56 0.00 0.00 36.38 33.29 3phy s VAL 107 CO 0.15 0.03 0.51 -2.28 -0.31 0.00 0.00 175.10 173.19 3phy s HIS 108 N -1.63 -1.42 0.02 2.82 5.04 -0.47 -3.03 115.29 116.62 3phy s HIS 108 Ca 0.36 0.89 0.05 0.00 -1.54 0.00 0.00 55.06 54.82 3phy s HIS 108 Cb -0.12 0.16 -0.03 0.00 0.04 0.00 0.00 32.58 32.63 3phy s HIS 108 CO 0.28 -0.98 -0.11 -1.64 -2.34 0.00 0.00 174.74 169.94 3phy s MET 109 N 2.70 2.34 0.29 2.88 1.00 -0.82 -1.34 119.30 126.35 3phy s MET 109 Ca 0.12 -0.84 0.06 0.00 0.00 0.00 0.00 55.69 55.02 3phy s MET 109 Cb -0.12 -2.36 -0.02 0.00 0.00 0.00 0.00 34.83 32.32 3phy s MET 109 CO -0.26 0.57 0.27 1.17 0.00 0.00 0.00 175.02 176.78 3phy n LYS 110 N 1.51 0.39 -3.00 2.03 0.00 -0.19 -2.37 118.16 116.53 3phy n LYS 110 Ca -0.16 -2.86 -0.43 0.00 0.00 0.00 0.00 58.31 54.86 3phy n LYS 110 Cb 0.52 2.39 -0.05 0.00 0.00 0.00 0.00 35.03 37.90 3phy n LYS 110 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3phy s LYS 111 N -3.13 3.17 0.48 1.64 2.36 0.17 -1.66 119.74 122.77 3phy s LYS 111 Ca 0.34 -0.77 -0.22 0.00 -2.55 0.00 0.00 55.97 52.77 3phy s LYS 111 Cb 0.01 -4.13 -0.09 0.00 -1.05 0.00 0.00 37.83 32.57 3phy s LYS 111 CO 0.24 -1.45 0.85 0.00 1.55 0.00 0.00 175.35 176.54 3phy n ALA 112 N 6.85 -0.29 0.34 3.13 0.00 -1.08 -4.72 120.51 124.73 3phy n ALA 112 Ca -0.04 0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.60 3phy n ALA 112 Cb 0.46 -2.00 0.22 0.00 0.00 0.00 0.00 19.45 18.12 3phy n ALA 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3phy n LEU 113 N 0.38 2.88 -0.24 0.00 7.94 -1.26 -2.38 117.00 124.33 3phy n LEU 113 Ca 0.11 -1.45 0.03 0.00 -1.11 0.00 0.00 56.01 53.60 3phy n LEU 113 Cb 0.42 -0.39 0.12 0.00 0.53 0.00 0.00 43.42 44.10 3phy n LEU 113 CO 0.54 0.58 0.59 -1.20 -1.11 0.00 0.00 177.39 176.79 3phy n SER 114 N 0.72 0.69 0.00 1.96 7.64 -1.26 -4.64 113.62 118.73 3phy n SER 114 Ca 0.16 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 58.11 3phy n SER 114 Cb 0.51 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3phy n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3phy n GLY 115 N 0.74 0.17 3.46 0.23 0.00 -1.26 -4.87 105.19 103.66 3phy n GLY 115 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3phy n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3phy n ASP 116 N 0.00 -3.12 -1.18 1.61 9.92 -1.19 -5.01 116.55 117.58 3phy n ASP 116 Ca 0.00 -0.70 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 3phy n ASP 116 Cb 0.00 -4.84 0.00 0.00 -0.64 0.00 0.00 41.12 35.64 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3phy n SER 117 N -3.12 0.00 -3.43 -2.24 7.64 -1.00 -4.86 113.62 106.62 3phy n SER 117 Ca -0.23 -0.23 -0.11 0.00 1.01 0.00 0.00 58.87 59.31 3phy n SER 117 Cb 0.66 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.76 3phy n SER 117 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3phy s TYR 118 N 1.15 -0.69 0.04 1.43 2.02 -1.07 -2.65 117.35 117.58 3phy s TYR 118 Ca 0.00 0.79 0.08 0.00 -0.37 0.00 0.00 57.07 57.57 3phy s TYR 118 Cb 0.00 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.50 3phy s TYR 118 CO 0.00 -0.65 -0.20 1.67 -1.57 0.00 0.00 175.55 174.80 3phy s TRP 119 N 2.50 2.50 -0.22 2.71 1.48 -0.66 -0.53 118.94 126.71 3phy s TRP 119 Ca 0.10 -0.30 0.02 0.00 -1.06 0.00 0.00 56.10 54.86 3phy s TRP 119 Cb -0.15 -1.45 0.04 0.00 -1.16 0.00 0.00 33.47 30.75 3phy s TRP 119 CO -0.14 0.21 -0.14 0.08 -4.06 0.00 0.00 176.95 172.90 3phy s VAL 120 N -0.88 2.03 -0.25 -0.66 1.01 -0.40 -1.02 120.40 120.23 3phy s VAL 120 Ca 0.14 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 3phy s VAL 120 Cb -0.10 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3phy s VAL 120 CO 0.04 0.22 0.38 -0.36 0.00 0.00 0.00 175.10 175.38 3phy s PHE 121 N 1.23 3.29 -0.33 5.22 0.08 -0.45 -3.07 117.98 123.95 3phy s PHE 121 Ca -0.02 0.48 -0.08 0.00 0.12 0.00 0.00 56.93 57.42 3phy s PHE 121 Cb -0.17 -2.55 0.02 0.00 -0.57 0.00 0.00 43.02 39.75 3phy s PHE 121 CO -0.09 -0.15 0.13 0.08 -0.10 0.00 0.00 175.22 175.09 3phy s VAL 122 N 1.80 4.17 -0.17 -0.44 1.01 -1.13 -1.37 120.40 124.27 3phy s VAL 122 Ca 0.16 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 3phy s VAL 122 Cb -0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3phy s VAL 122 CO 0.09 -0.05 0.62 -0.75 0.00 0.00 0.00 175.10 175.00 3phy s LYS 123 N 1.51 4.26 -0.08 2.72 2.47 -0.17 -2.20 119.74 128.25 3phy s LYS 123 Ca 0.02 0.63 -0.30 0.00 -1.56 0.00 0.00 55.97 54.76 3phy s LYS 123 Cb -0.18 -3.54 -0.03 0.00 -1.46 0.00 0.00 37.83 32.61 3phy s LYS 123 CO 0.04 -0.15 1.26 0.50 0.16 0.00 0.00 175.35 177.17 3phy s ARG 124 N 1.59 4.30 0.00 4.03 3.52 -1.18 -0.76 118.95 130.45 3phy s ARG 124 Ca 0.29 1.73 0.31 0.00 -0.13 0.00 0.00 55.73 57.94 3phy s ARG 124 Cb -0.16 -3.63 1.87 0.00 -1.56 0.00 0.00 34.95 31.48 3phy s ARG 124 CO 0.11 -0.55 2.20 0.28 -0.81 0.00 0.00 175.30 176.53