#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy s GLU 2 N 0.00 4.37 0.64 0.03 0.41 -1.26 -5.00 118.70 117.89 3phy s GLU 2 Ca 0.00 1.34 -0.18 0.00 -0.41 0.00 0.00 54.97 55.72 3phy s GLU 2 Cb 0.00 -3.57 -0.02 0.00 -1.78 0.00 0.00 34.13 28.76 3phy s GLU 2 CO 0.00 -0.39 1.29 -1.58 -0.49 0.00 0.00 175.26 174.09 3phy s HIS 3 N 2.32 2.11 0.00 1.61 2.46 -1.26 -5.01 115.29 117.51 3phy s HIS 3 Ca 0.46 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.47 3phy s HIS 3 Cb -0.17 -3.69 0.00 0.00 -0.13 0.00 0.00 32.58 28.59 3phy s HIS 3 CO 0.14 -2.89 0.00 1.55 -2.47 0.00 0.00 174.74 171.08 3phy n VAL 4 N -1.82 0.00 0.00 0.89 3.14 -1.26 -5.04 118.33 114.24 3phy n VAL 4 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 3phy n VAL 4 Cb 0.48 -0.58 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 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 -3.00 0.00 -1.22 1.55 0.00 -1.22 -4.55 120.51 112.06 3phy n ALA 5 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3phy n ALA 5 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3phy n ALA 5 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3phy n PHE 6 N 0.00 1.42 -0.08 0.00 -1.74 -1.26 -4.36 117.46 111.44 3phy n PHE 6 Ca 0.00 -1.90 0.00 0.00 -0.56 0.00 0.00 57.45 54.99 3phy n PHE 6 Cb 0.00 -1.24 0.00 0.00 1.52 0.00 0.00 39.48 39.76 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3phy n GLY 7 N 0.83 1.51 3.20 4.97 0.00 -1.26 -4.94 105.19 109.50 3phy n GLY 7 Ca 0.41 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 3phy n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3phy s SER 8 N -2.05 5.17 0.00 1.61 0.01 -1.26 -4.99 113.70 112.18 3phy s SER 8 Ca 0.00 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 55.85 3phy s SER 8 Cb 0.00 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.42 3phy s SER 8 CO 0.00 -0.36 0.93 1.21 0.41 0.00 0.00 173.24 175.42 3phy n GLU 9 N 4.70 0.00 -3.07 12.44 4.07 -1.26 -3.42 120.64 134.10 3phy n GLU 9 Ca -0.10 0.84 0.01 0.00 -0.06 0.00 0.00 57.16 57.84 3phy n GLU 9 Cb 0.43 -1.43 -0.00 0.00 -0.06 0.00 0.00 31.44 30.38 3phy n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3phy s ASP 10 N -2.83 -1.28 -0.06 4.31 1.01 -1.26 -4.77 116.67 111.78 3phy s ASP 10 Ca 0.00 -0.75 -0.00 0.00 0.71 0.00 0.00 52.55 52.50 3phy s ASP 10 Cb 0.00 1.65 -0.00 0.00 1.01 0.00 0.00 42.92 45.57 3phy s ASP 10 CO 0.00 -0.13 -0.01 0.40 0.21 0.00 0.00 175.17 175.64 3phy h ILE 11 N 4.66 0.00 -1.12 0.77 1.08 -1.95 -1.33 117.51 119.62 3phy h ILE 11 Ca 0.03 -0.62 0.32 0.00 -0.39 0.00 0.00 64.86 64.21 3phy h ILE 11 Cb 1.18 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 3phy h ILE 11 CO 0.05 0.00 1.04 -0.08 -0.69 0.00 0.00 178.15 178.47 3phy h GLU 12 N -0.62 0.00 0.11 2.37 4.81 -1.97 0.94 114.58 120.21 3phy h GLU 12 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 3phy h GLU 12 Cb 0.02 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3phy h GLU 12 CO 0.00 0.00 -1.94 -1.71 -0.73 0.00 0.00 179.01 174.63 3phy n ASN 13 N -3.64 1.95 0.00 1.04 5.15 -1.25 -3.14 115.26 115.37 3phy n ASN 13 Ca 0.25 0.25 0.11 0.00 -0.60 0.00 0.00 54.58 54.59 3phy n ASN 13 Cb 1.39 -0.76 0.56 0.00 -0.53 0.00 0.00 39.78 40.44 3phy n ASN 13 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3phy n THR 14 N -3.42 0.31 -0.07 -0.44 -1.04 0.25 -1.66 114.28 108.22 3phy n THR 14 Ca -0.29 0.08 -0.05 0.00 -2.04 0.00 0.00 64.05 61.75 3phy n THR 14 Cb 1.05 -0.69 -0.16 0.00 -1.82 0.00 0.00 70.33 68.71 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 -1.34 0.10 0.00 -4.42 4.77 0.25 -3.83 117.00 112.54 3phy n LEU 15 Ca 0.10 0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 3phy n LEU 15 Cb 0.20 0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 3phy n LEU 15 CO 0.19 0.36 -0.48 0.00 -1.33 0.00 0.00 177.39 176.12 3phy n ALA 16 N -2.61 1.88 -1.23 -1.18 0.00 -1.13 -4.01 120.51 112.23 3phy n ALA 16 Ca -0.24 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.39 3phy n ALA 16 Cb 1.00 -0.82 0.22 0.00 0.00 0.00 0.00 19.45 19.85 3phy n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3phy n LYS 17 N -2.84 2.53 -4.73 0.00 4.76 -0.67 -4.93 118.16 112.29 3phy n LYS 17 Ca -0.13 -3.07 -0.25 0.00 -2.87 0.00 0.00 58.31 51.99 3phy n LYS 17 Cb 0.89 -2.08 -0.15 0.00 -1.84 0.00 0.00 35.03 31.86 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3phy s MET 18 N -3.19 1.39 -0.20 1.97 1.75 -1.25 -4.97 119.30 114.81 3phy s MET 18 Ca 0.53 -0.80 -0.15 0.00 -1.25 0.00 0.00 55.69 54.02 3phy s MET 18 Cb 0.44 -1.42 -0.20 0.00 2.84 0.00 0.00 34.83 36.49 3phy s MET 18 CO 0.09 0.38 0.16 -0.40 -0.65 0.00 0.00 175.02 174.59 3phy n ASP 19 N 2.20 1.96 0.00 1.11 5.75 -1.26 -4.95 116.55 121.35 3phy n ASP 19 Ca -0.16 0.32 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 3phy n ASP 19 Cb 0.54 -0.89 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 3phy n ASP 19 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3phy n ASP 20 N -4.07 0.00 -3.90 -1.12 2.03 -1.26 -5.02 116.55 103.21 3phy n ASP 20 Ca -0.36 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.54 3phy n ASP 20 Cb 0.83 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3phy n GLY 21 N -0.35 5.28 2.00 0.27 0.00 -1.26 -4.45 105.19 106.68 3phy n GLY 21 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.35 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 1.09 0.00 0.00 1.61 7.27 -1.26 -4.86 117.38 121.23 3phy n GLN 22 Ca 0.29 0.00 0.15 0.00 0.07 0.00 0.00 57.00 57.51 3phy n GLN 22 Cb 0.33 0.00 0.88 0.00 2.41 0.00 0.00 30.24 33.86 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 -2.53 0.00 0.00 1.69 -0.00 -1.26 -3.43 117.00 111.47 3phy n LEU 23 Ca 0.00 0.07 0.09 0.00 -0.00 0.00 0.00 56.01 56.17 3phy n LEU 23 Cb 0.00 -0.07 0.44 0.00 -0.00 0.00 0.00 43.42 43.78 3phy n LEU 23 CO 0.00 -0.00 0.77 0.47 -0.00 0.00 0.00 177.39 178.63 3phy n ASP 24 N -1.07 0.00 -2.19 1.45 9.92 -1.26 -2.84 116.55 120.55 3phy n ASP 24 Ca 0.21 0.16 -0.27 0.00 -0.53 0.00 0.00 54.79 54.36 3phy n ASP 24 Cb 0.14 -0.34 0.14 0.00 -0.64 0.00 0.00 41.12 40.42 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 25 N 0.28 5.09 3.63 0.44 0.00 -1.22 -4.42 105.19 108.98 3phy n GLY 25 Ca 0.07 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.50 3.26 -0.19 0.99 1.43 -1.13 -5.00 118.68 114.54 3phy s LEU 26 Ca 0.59 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.56 3phy s LEU 26 Cb 0.48 -1.97 0.52 0.00 0.03 0.00 0.00 46.19 45.26 3phy s LEU 26 CO 0.06 0.22 1.40 0.00 0.23 0.00 0.00 176.35 178.25 3phy n ALA 27 N 0.97 3.70 -3.48 4.21 0.00 -1.26 -4.57 120.51 120.07 3phy n ALA 27 Ca -0.13 -1.43 -0.04 0.00 0.00 0.00 0.00 53.44 51.84 3phy n ALA 27 Cb 0.52 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.18 -1.12 0.02 0.00 -0.71 -1.26 -3.25 117.98 109.49 3phy s PHE 28 Ca 0.37 1.64 -0.36 0.00 -1.04 0.00 0.00 56.93 57.53 3phy s PHE 28 Cb 0.29 0.43 -0.15 0.00 -1.21 0.00 0.00 43.02 42.38 3phy s PHE 28 CO 0.10 -0.66 1.55 0.41 -1.34 0.00 0.00 175.22 175.27 3phy n GLY 29 N 5.41 0.85 3.19 1.99 0.00 -0.73 -4.61 105.19 111.29 3phy n GLY 29 Ca -0.07 0.75 -0.40 0.00 0.00 0.00 0.00 46.02 46.30 3phy n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3phy s ALA 30 N 1.62 4.29 0.27 4.61 0.00 -1.04 -1.63 121.76 129.87 3phy s ALA 30 Ca 0.86 -3.72 -0.07 0.00 0.00 0.00 0.00 51.96 49.04 3phy s ALA 30 Cb -0.86 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.11 3phy s ALA 30 CO 0.48 -2.17 0.55 0.96 0.00 0.00 0.00 175.76 175.58 3phy s ILE 31 N -1.01 5.00 0.28 0.00 -5.25 -1.16 -3.92 121.20 115.14 3phy s ILE 31 Ca 0.26 0.20 0.05 0.00 -0.99 0.00 0.00 60.65 60.18 3phy s ILE 31 Cb -0.10 -3.69 -0.06 0.00 2.95 0.00 0.00 42.46 41.56 3phy s ILE 31 CO -0.10 -0.24 -0.02 0.00 -1.79 0.00 0.00 174.94 172.80 3phy s GLN 32 N -3.29 1.54 0.14 0.37 -2.07 -0.86 -0.92 119.66 114.56 3phy s GLN 32 Ca 0.45 -1.80 -0.09 0.00 -1.82 0.00 0.00 55.36 52.09 3phy s GLN 32 Cb -0.11 -0.99 -0.00 0.00 -1.09 0.00 0.00 33.01 30.82 3phy s GLN 32 CO 0.27 -0.05 0.26 -0.51 -1.32 0.00 0.00 175.29 173.94 3phy s LEU 33 N -3.43 1.09 -0.07 2.60 1.43 -0.50 -1.78 118.68 118.00 3phy s LEU 33 Ca 0.31 -0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3phy s LEU 33 Cb 0.06 1.17 0.03 0.00 0.03 0.00 0.00 46.19 47.47 3phy s LEU 33 CO 0.12 -0.84 -0.02 1.51 0.23 0.00 0.00 176.35 177.35 3phy s ASP 34 N -2.93 1.55 0.00 2.29 -4.77 -0.64 -2.22 116.67 109.96 3phy s ASP 34 Ca 0.13 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.24 3phy s ASP 34 Cb 0.04 -0.52 0.00 0.00 -1.09 0.00 0.00 42.92 41.35 3phy s ASP 34 CO -0.04 -0.15 0.00 0.61 0.70 0.00 0.00 175.17 176.29 3phy n GLY 35 N 4.84 0.00 0.00 2.12 0.00 -1.26 -1.09 105.19 109.80 3phy n GLY 35 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.98 3phy n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3phy n ASP 36 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.80 116.55 114.13 3phy n ASP 36 Ca 0.00 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.01 3phy n ASP 36 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3phy n GLY 37 N 0.09 0.70 3.76 0.27 0.00 -0.25 -4.90 105.19 104.86 3phy n GLY 37 Ca 0.11 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.19 5.66 0.26 1.61 0.01 -1.18 -1.75 114.94 117.36 3phy s ASN 38 Ca 0.00 2.38 -0.29 0.00 -0.71 0.00 0.00 52.86 54.24 3phy s ASN 38 Cb 0.00 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 38.96 3phy s ASN 38 CO 0.00 -1.27 1.24 -0.51 -1.51 0.00 0.00 177.10 175.05 3phy s ILE 39 N -1.56 3.17 -0.13 0.60 1.10 -1.12 -1.62 121.20 121.64 3phy s ILE 39 Ca 0.71 1.08 0.10 0.00 -0.51 0.00 0.00 60.65 62.02 3phy s ILE 39 Cb -0.30 -3.69 -0.15 0.00 0.15 0.00 0.00 42.46 38.47 3phy s ILE 39 CO 0.35 0.22 0.02 0.18 -2.11 0.00 0.00 174.94 173.60 3phy n LEU 40 N 1.65 0.41 -3.69 8.50 4.77 -0.74 -4.69 117.00 123.21 3phy n LEU 40 Ca 0.02 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3phy n LEU 40 Cb 0.43 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3phy n LEU 40 CO 0.57 0.37 0.61 -1.58 -1.33 0.00 0.00 177.39 176.04 3phy s GLN 41 N -2.31 1.28 0.02 3.23 2.00 -1.25 -4.89 119.66 117.74 3phy s GLN 41 Ca -0.08 -0.64 0.00 0.00 -2.00 0.00 0.00 55.36 52.63 3phy s GLN 41 Cb 0.04 0.48 0.00 0.00 0.80 0.00 0.00 33.01 34.33 3phy s GLN 41 CO 0.50 -0.58 0.00 0.98 -0.50 0.00 0.00 175.29 175.69 3phy n TYR 42 N -0.41 -1.04 0.00 1.67 9.36 -1.25 -2.04 117.16 123.45 3phy n TYR 42 Ca -0.08 0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.20 3phy n TYR 42 Cb 0.61 0.58 0.00 0.00 -0.63 0.00 0.00 39.34 39.90 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 -2.56 0.00 0.11 2.98 6.94 -1.26 -2.50 115.26 118.98 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 0.43 0.00 -2.36 0.00 0.00 39.78 37.85 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 1.57 2.11 0.34 -2.53 0.00 -1.26 -3.34 120.51 117.40 3phy n ALA 44 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 3phy n ALA 44 Cb 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.92 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 2.45 -1.20 -0.51 0.00 0.00 -1.81 0.28 119.26 118.48 3phy h ALA 45 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3phy h ALA 45 Cb 0.64 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3phy h ALA 45 CO 0.00 -1.16 0.11 1.05 0.00 0.00 0.00 179.25 179.24 3phy h GLU 46 N -0.96 0.82 0.00 0.00 4.11 -1.87 -1.42 114.58 115.26 3phy h GLU 46 Ca -0.08 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3phy h GLU 46 Cb 0.78 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3phy h GLU 46 CO 0.08 0.80 0.03 0.78 0.07 0.00 0.00 179.01 180.77 3phy h GLY 47 N 0.71 0.00 1.35 1.06 0.00 -1.42 -0.27 103.07 104.49 3phy h GLY 47 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.22 3phy h GLY 47 CO 0.00 0.00 -1.45 -1.80 0.00 0.00 0.00 176.54 173.29 3phy h ASP 48 N 0.00 0.04 0.14 0.19 3.58 0.70 0.53 116.42 121.59 3phy h ASP 48 Ca 0.00 -0.06 -0.25 0.00 0.42 0.00 0.00 57.03 57.14 3phy h ASP 48 Cb 0.06 -0.01 0.03 0.00 1.72 0.00 0.00 39.33 41.13 3phy h ASP 48 CO 0.00 1.05 -1.08 0.40 -2.88 0.00 0.00 179.24 176.73 3phy h ILE 49 N 0.01 1.38 -0.08 2.25 5.03 -0.93 -3.34 117.51 121.82 3phy h ILE 49 Ca -0.19 -2.49 0.00 0.00 -0.12 0.00 0.00 64.86 62.06 3phy h ILE 49 Cb 1.93 2.93 0.00 0.00 -3.03 0.00 0.00 36.82 38.65 3phy h ILE 49 CO 0.10 0.73 0.00 1.07 -0.68 0.00 0.00 178.15 179.38 3phy n THR 50 N -3.94 0.17 -0.69 -0.27 5.66 -0.72 -4.96 114.28 109.53 3phy n THR 50 Ca -0.14 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 3phy n THR 50 Cb 0.92 1.14 0.00 0.00 -1.55 0.00 0.00 70.33 70.84 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 0.72 1.38 3.58 1.09 0.00 0.17 -4.94 105.19 107.19 3phy n GLY 51 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.09 3.84 1.34 1.61 0.52 -0.62 -4.83 118.95 120.71 3phy s ARG 52 Ca 0.00 -1.82 -0.22 0.00 -0.52 0.00 0.00 55.73 53.16 3phy s ARG 52 Cb 0.00 -5.50 0.34 0.00 0.52 0.00 0.00 34.95 30.32 3phy s ARG 52 CO 0.00 -2.36 0.95 -3.47 0.02 0.00 0.00 175.30 170.44 3phy n ASP 53 N 8.85 -3.22 0.09 0.23 2.03 -1.26 -2.99 116.55 120.28 3phy n ASP 53 Ca 0.47 -1.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.63 3phy n ASP 53 Cb 0.47 -0.98 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 3phy n ASP 53 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3phy h PRO 54 N 0.00 0.36 0.00 -0.67 0.13 -1.94 -2.20 132.00 127.68 3phy h PRO 54 Ca -0.39 -0.47 -0.06 0.00 -0.87 0.00 0.00 66.00 64.20 3phy h PRO 54 Cb 1.27 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.55 3phy h PRO 54 CO 0.25 1.16 -0.30 -0.22 -0.23 0.00 0.00 178.00 178.66 3phy h LYS 55 N 0.17 0.00 0.13 0.86 1.63 -1.96 -2.46 116.57 114.94 3phy h LYS 55 Ca -0.11 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.42 3phy h LYS 55 Cb 1.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.39 3phy h LYS 55 CO 0.18 0.30 -1.33 0.37 -3.45 0.00 0.00 179.45 175.52 3phy h GLN 56 N 0.00 0.28 0.00 1.90 4.15 -1.90 -3.26 115.11 116.27 3phy h GLN 56 Ca -0.00 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3phy h GLN 56 Cb 0.88 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.75 3phy h GLN 56 CO 0.04 1.23 0.00 1.33 -1.93 0.00 0.00 178.83 179.49 3phy n VAL 57 N -3.93 0.55 -2.21 2.39 0.24 -0.83 -4.45 118.33 110.09 3phy n VAL 57 Ca -0.23 0.14 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 3phy n VAL 57 Cb 0.91 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 32.41 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 -2.65 3.93 0.00 1.34 1.01 -0.93 -1.40 121.20 122.49 3phy s ILE 58 Ca 0.15 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.92 3phy s ILE 58 Cb 0.12 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3phy s ILE 58 CO 0.28 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3phy n GLY 59 N 3.90 3.34 3.77 6.18 0.00 -1.26 -5.03 105.19 116.09 3phy n GLY 59 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.76 4.58 -0.19 1.61 -0.14 -0.49 -4.83 119.74 119.52 3phy s LYS 60 Ca 0.00 1.43 -0.20 0.00 -1.36 0.00 0.00 55.97 55.83 3phy s LYS 60 Cb 0.00 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 3phy s LYS 60 CO 0.00 0.26 0.61 -0.80 -0.76 0.00 0.00 175.35 174.65 3phy s ASN 61 N -1.46 6.67 0.37 2.83 0.02 -1.26 -2.78 114.94 119.34 3phy s ASN 61 Ca 0.49 0.82 0.21 0.00 -1.02 0.00 0.00 52.86 53.35 3phy s ASN 61 Cb -0.22 -2.34 1.13 0.00 0.02 0.00 0.00 41.25 39.84 3phy s ASN 61 CO 0.27 -0.24 1.60 0.15 0.02 0.00 0.00 177.10 178.90 3phy h PHE 62 N 7.44 0.00 -0.49 2.20 3.57 -1.66 -0.84 116.94 127.16 3phy h PHE 62 Ca -0.32 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 60.82 3phy h PHE 62 Cb 1.15 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 39.58 3phy h PHE 62 CO 0.71 0.00 -0.76 1.19 -2.23 0.00 0.00 178.31 177.22 3phy n PHE 63 N -2.29 1.77 0.05 0.41 3.72 -1.26 -3.29 117.46 116.57 3phy n PHE 63 Ca -0.01 -1.95 0.00 0.00 -0.05 0.00 0.00 57.45 55.43 3phy n PHE 63 Cb 0.17 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 -0.78 0.00 -0.00 -1.08 3.00 -0.38 -4.87 118.16 114.05 3phy n LYS 64 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 3phy n LYS 64 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.91 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 -2.73 1.48 -0.02 3.14 9.92 -0.85 -4.67 116.55 122.81 3phy n ASP 65 Ca 0.00 -1.74 -0.03 0.00 -0.53 0.00 0.00 54.79 52.49 3phy n ASP 65 Cb 0.00 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 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 -0.37 0.30 -3.30 2.53 0.31 -1.04 -4.87 118.33 111.88 3phy n VAL 66 Ca 0.00 -0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 3phy n VAL 66 Cb 0.32 -0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 32.38 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 -2.10 -1.15 -0.86 3.52 0.00 -1.21 -4.97 121.76 114.99 3phy s ALA 67 Ca -0.04 -0.47 0.21 0.00 0.00 0.00 0.00 51.96 51.67 3phy s ALA 67 Cb 0.02 -2.28 0.87 0.00 0.00 0.00 0.00 23.12 21.72 3phy s ALA 67 CO 0.15 -2.13 1.67 -0.35 0.00 0.00 0.00 175.76 175.11 3phy n PRO 68 N 4.41 0.07 0.04 0.00 -0.04 -1.26 -2.57 135.00 135.65 3phy n PRO 68 Ca 0.10 0.22 -0.04 0.00 -0.04 0.00 0.00 63.50 63.74 3phy n PRO 68 Cb 0.49 -1.61 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.09 0.39 -2.31 0.00 -2.24 -1.06 -4.23 114.28 101.75 3phy n THR 70 Ca -0.08 0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 3phy n THR 70 Cb 0.91 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3phy n THR 70 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3phy n ASP 71 N -1.25 4.65 -3.62 3.42 2.03 -1.23 -0.69 116.55 119.87 3phy n ASP 71 Ca 0.09 -2.94 -0.06 0.00 0.52 0.00 0.00 54.79 52.41 3phy n ASP 71 Cb 0.13 -1.64 -0.01 0.00 -0.72 0.00 0.00 41.12 38.89 3phy n ASP 71 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3phy s SER 72 N 3.05 -0.17 -1.28 1.67 0.01 -1.26 -4.96 113.70 110.77 3phy s SER 72 Ca 0.47 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.88 3phy s SER 72 Cb 0.07 0.68 0.02 0.00 0.21 0.00 0.00 66.02 67.00 3phy s SER 72 CO -0.00 -1.28 1.89 -0.81 0.41 0.00 0.00 173.24 173.45 3phy n PRO 73 N -0.50 2.73 0.00 12.44 -0.04 -1.26 -0.74 135.00 147.63 3phy n PRO 73 Ca -0.05 -2.89 0.00 0.00 -0.04 0.00 0.00 63.50 60.52 3phy n PRO 73 Cb 0.60 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 7.78 0.00 -0.02 0.54 2.13 -1.26 -4.81 120.64 125.00 3phy n GLU 74 Ca 0.49 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.28 3phy n GLU 74 Cb 0.44 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.14 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 0.37 4.31 -0.00 -1.17 -4.20 117.46 116.77 3phy n PHE 75 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 3phy n PHE 75 Cb 0.00 -0.15 0.36 0.00 -0.00 0.00 0.00 39.48 39.69 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 -0.30 0.00 0.84 -5.13 3.20 -0.52 -3.05 116.97 112.02 3phy h TYR 76 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3phy h TYR 76 Cb 0.30 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.58 3phy h TYR 76 CO -0.13 0.00 -0.40 0.78 -1.64 0.00 0.00 178.16 176.77 3phy h GLY 77 N 3.65 -1.18 2.00 1.82 0.00 -1.18 0.07 103.07 108.26 3phy h GLY 77 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3phy h GLY 77 CO 0.00 -0.43 0.00 0.50 0.00 0.00 0.00 176.54 176.61 3phy h LYS 78 N -1.25 0.00 0.01 4.80 1.79 -1.72 -0.86 116.57 119.34 3phy h LYS 78 Ca -0.12 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.09 3phy h LYS 78 Cb 0.87 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.54 3phy h LYS 78 CO 0.19 0.00 -1.03 0.35 -1.08 0.00 0.00 179.45 177.88 3phy h PHE 79 N 0.00 1.01 0.00 -1.35 3.04 -1.29 -0.94 116.94 117.41 3phy h PHE 79 Ca 0.00 -0.56 0.00 0.00 3.98 0.00 0.00 57.97 61.39 3phy h PHE 79 Cb 0.10 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.50 3phy h PHE 79 CO 0.00 1.40 0.00 1.63 -2.02 0.00 0.00 178.31 179.32 3phy n LYS 80 N -3.88 0.31 -0.07 1.11 4.76 -0.04 -1.66 118.16 118.69 3phy n LYS 80 Ca -0.11 0.03 -0.19 0.00 -2.87 0.00 0.00 58.31 55.16 3phy n LYS 80 Cb 0.88 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 32.44 3phy n LYS 80 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3phy n GLU 81 N -1.33 0.70 -0.06 1.97 -0.58 -0.63 -3.25 120.64 117.46 3phy n GLU 81 Ca 0.12 0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 3phy n GLU 81 Cb 0.24 -1.61 -0.06 0.00 -0.57 0.00 0.00 31.44 29.43 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 1.67 0.50 1.12 0.62 0.00 -1.12 0.49 103.07 106.34 3phy h GLY 82 Ca -0.50 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 46.34 3phy h GLY 82 CO -0.00 0.47 0.52 -2.08 0.00 0.00 0.00 176.54 175.45 3phy h VAL 83 N 0.11 1.14 -0.01 4.60 2.07 -1.50 -1.01 116.25 121.64 3phy h VAL 83 Ca 0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3phy h VAL 83 Cb 0.75 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3phy h VAL 83 CO 0.05 0.18 -0.31 0.00 0.02 0.00 0.00 177.57 177.51 3phy n ALA 84 N -2.42 3.19 0.27 1.67 0.00 -1.12 -4.07 120.51 118.04 3phy n ALA 84 Ca 0.10 -0.52 0.10 0.00 0.00 0.00 0.00 53.44 53.12 3phy n ALA 84 Cb 0.10 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 3phy n ALA 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3phy n SER 85 N -0.23 0.61 0.00 0.00 7.64 0.17 -4.97 113.62 116.83 3phy n SER 85 Ca 0.12 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.70 3phy n SER 85 Cb 0.41 1.63 0.00 0.00 -1.01 0.00 0.00 64.21 65.24 3phy n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3phy n GLY 86 N 1.40 0.42 2.97 0.23 0.00 -0.47 -4.96 105.19 104.78 3phy n GLY 86 Ca -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 3phy n GLY 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3phy s ASN 87 N -2.73 -1.28 -0.26 1.61 3.04 -1.18 -5.08 114.94 109.07 3phy s ASN 87 Ca 0.00 -0.99 -0.28 0.00 0.04 0.00 0.00 52.86 51.63 3phy s ASN 87 Cb 0.00 1.65 0.01 0.00 -1.54 0.00 0.00 41.25 41.37 3phy s ASN 87 CO 0.00 -0.10 1.00 -0.22 -3.04 0.00 0.00 177.10 174.73 3phy s LEU 88 N 1.48 4.06 -0.42 3.21 0.20 -1.26 -4.69 118.68 121.26 3phy s LEU 88 Ca 0.21 1.20 0.07 0.00 0.69 0.00 0.00 54.13 56.31 3phy s LEU 88 Cb -0.01 -3.45 0.18 0.00 -0.43 0.00 0.00 46.19 42.48 3phy s LEU 88 CO -0.08 -0.69 0.65 0.54 -0.29 0.00 0.00 176.35 176.49 3phy s ASN 89 N 1.35 -1.49 0.23 3.68 2.20 -1.26 -1.05 114.94 118.61 3phy s ASN 89 Ca 0.42 -0.85 0.01 0.00 -0.94 0.00 0.00 52.86 51.49 3phy s ASN 89 Cb -0.14 1.91 -0.04 0.00 -2.00 0.00 0.00 41.25 40.98 3phy s ASN 89 CO 0.09 -0.15 0.15 0.28 -2.94 0.00 0.00 177.10 174.52 3phy s THR 90 N 1.76 0.11 -0.08 0.54 -1.32 -0.99 -5.04 115.64 110.62 3phy s THR 90 Ca 0.17 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.38 3phy s THR 90 Cb -0.03 -2.52 0.06 0.00 -1.51 0.00 0.00 72.50 68.50 3phy s THR 90 CO -0.07 0.00 0.63 -0.32 -2.21 0.00 0.00 174.62 172.65 3phy s MET 91 N -4.03 0.96 -0.12 7.08 0.00 -1.26 -2.26 119.30 119.67 3phy s MET 91 Ca 0.39 0.31 -0.30 0.00 0.00 0.00 0.00 55.69 56.09 3phy s MET 91 Cb 0.06 0.45 0.12 0.00 0.00 0.00 0.00 34.83 35.47 3phy s MET 91 CO 0.15 -0.27 0.99 -0.59 0.00 0.00 0.00 175.02 175.30 3phy s PHE 92 N -0.94 -0.34 -0.35 4.11 -0.12 -1.18 -5.00 117.98 114.15 3phy s PHE 92 Ca -0.09 0.48 -0.25 0.00 -0.05 0.00 0.00 56.93 57.02 3phy s PHE 92 Cb -0.01 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.86 3phy s PHE 92 CO 0.08 -0.38 0.86 -1.21 -0.05 0.00 0.00 175.22 174.52 3phy s GLU 93 N -1.71 3.87 0.36 1.99 0.41 -1.26 -1.68 118.70 120.68 3phy s GLU 93 Ca 0.01 0.55 0.01 0.00 -0.41 0.00 0.00 54.97 55.13 3phy s GLU 93 Cb -0.01 -3.78 0.01 0.00 -1.78 0.00 0.00 34.13 28.58 3phy s GLU 93 CO -0.02 -0.84 0.11 0.98 -0.49 0.00 0.00 175.26 175.01 3phy n TYR 94 N 6.52 0.11 -3.38 1.61 9.36 -0.92 -4.99 117.16 125.48 3phy n TYR 94 Ca 0.05 -1.66 -0.09 0.00 3.32 0.00 0.00 57.90 59.53 3phy n TYR 94 Cb 0.48 -0.26 -0.08 0.00 -0.63 0.00 0.00 39.34 38.85 3phy n TYR 94 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3phy s THR 95 N -2.08 -0.60 -0.45 2.97 2.01 -1.26 -2.82 115.64 113.40 3phy s THR 95 Ca 0.09 -0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.77 3phy s THR 95 Cb -0.01 -0.80 0.03 0.00 0.01 0.00 0.00 72.50 71.73 3phy s THR 95 CO 0.05 -0.11 0.99 -0.36 -0.69 0.00 0.00 174.62 174.50 3phy s PHE 96 N 2.55 2.91 -0.29 4.92 0.08 -0.36 -4.86 117.98 122.92 3phy s PHE 96 Ca 0.12 0.53 0.17 0.00 0.12 0.00 0.00 56.93 57.86 3phy s PHE 96 Cb -0.15 -4.06 0.48 0.00 -0.57 0.00 0.00 43.02 38.72 3phy s PHE 96 CO -0.15 -1.11 1.10 -0.25 -0.10 0.00 0.00 175.22 174.71 3phy n ASP 97 N 7.30 2.65 -4.74 1.36 8.00 -1.26 -1.41 116.55 128.45 3phy n ASP 97 Ca 0.08 -2.71 -0.41 0.00 0.71 0.00 0.00 54.79 52.47 3phy n ASP 97 Cb 0.49 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3phy s TYR 98 N -3.62 3.73 0.00 1.24 -0.85 -1.26 -4.39 117.35 112.19 3phy s TYR 98 Ca 0.35 1.73 0.00 0.00 -0.52 0.00 0.00 57.07 58.63 3phy s TYR 98 Cb 0.37 -3.16 0.00 0.00 0.38 0.00 0.00 41.96 39.55 3phy s TYR 98 CO -0.02 -0.18 0.00 1.04 -1.52 0.00 0.00 175.55 174.87 3phy n GLN 99 N 2.10 -0.14 -3.16 -3.49 6.02 -1.26 -4.62 117.38 112.83 3phy n GLN 99 Ca 0.01 -0.07 0.01 0.00 -0.01 0.00 0.00 57.00 56.95 3phy n GLN 99 Cb 0.47 0.12 0.01 0.00 1.02 0.00 0.00 30.24 31.86 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 -0.17 0.15 -1.86 -1.09 1.56 -1.26 -5.14 117.12 109.31 3phy n MET 100 Ca 0.00 -0.54 -0.36 0.00 -0.27 0.00 0.00 57.70 56.54 3phy n MET 100 Cb 0.00 0.85 0.05 0.00 2.15 0.00 0.00 33.22 36.27 3phy n MET 100 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 3phy s THR 101 N -2.09 2.50 0.08 1.12 -1.32 -1.26 -4.91 115.64 109.76 3phy s THR 101 Ca 0.18 0.30 -0.31 0.00 -1.21 0.00 0.00 61.69 60.65 3phy s THR 101 Cb -0.01 -3.05 -0.06 0.00 -1.51 0.00 0.00 72.50 67.87 3phy s THR 101 CO 0.00 -0.08 1.21 -2.16 -2.21 0.00 0.00 174.62 171.38 3phy s PRO 102 N -3.47 4.43 0.02 7.08 0.04 -1.26 -4.64 135.00 137.19 3phy s PRO 102 Ca 0.77 1.80 0.07 0.00 0.04 0.00 0.00 61.00 63.68 3phy s PRO 102 Cb -0.31 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.88 3phy s PRO 102 CO 0.37 -0.25 -0.22 0.99 0.04 0.00 0.00 177.00 177.93 3phy s THR 103 N 0.95 1.75 -0.03 1.26 2.01 -0.50 -5.00 115.64 116.07 3phy s THR 103 Ca 0.58 -1.12 0.06 0.00 0.31 0.00 0.00 61.69 61.53 3phy s THR 103 Cb -0.30 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 3phy s THR 103 CO 0.30 0.34 -0.22 -0.75 -0.69 0.00 0.00 174.62 173.60 3phy s LYS 104 N -0.92 2.26 -0.12 4.92 2.20 -1.26 -1.22 119.74 125.60 3phy s LYS 104 Ca 0.08 -0.85 -0.20 0.00 -0.36 0.00 0.00 55.97 54.64 3phy s LYS 104 Cb -0.09 -2.16 0.05 0.00 -1.51 0.00 0.00 37.83 34.12 3phy s LYS 104 CO 0.01 0.57 0.50 0.14 -0.36 0.00 0.00 175.35 176.21 3phy s VAL 105 N -0.63 0.01 -0.33 4.02 -7.23 -1.13 -1.99 120.40 113.13 3phy s VAL 105 Ca 0.10 -0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 59.97 3phy s VAL 105 Cb -0.10 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.07 3phy s VAL 105 CO -0.00 -0.07 0.48 -1.59 -0.31 0.00 0.00 175.10 173.61 3phy s LYS 106 N -0.45 3.70 0.52 4.82 0.00 -0.25 -2.16 119.74 125.92 3phy s LYS 106 Ca -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 55.97 55.76 3phy s LYS 106 Cb -0.03 -3.78 -0.00 0.00 0.00 0.00 0.00 37.83 34.02 3phy s LYS 106 CO 0.04 -0.56 0.80 0.14 0.00 0.00 0.00 175.35 175.76 3phy s VAL 107 N 2.30 3.90 -0.29 1.79 -7.23 -0.67 -1.72 120.40 118.48 3phy s VAL 107 Ca 0.18 -0.19 0.04 0.00 -1.81 0.00 0.00 61.98 60.19 3phy s VAL 107 Cb -0.16 -3.50 0.20 0.00 0.56 0.00 0.00 36.38 33.48 3phy s VAL 107 CO 0.12 -0.44 0.61 -2.28 -0.31 0.00 0.00 175.10 172.80 3phy s HIS 108 N -2.79 -1.75 0.13 2.82 5.04 -0.35 -3.13 115.29 115.26 3phy s HIS 108 Ca 0.51 1.22 0.08 0.00 -1.54 0.00 0.00 55.06 55.33 3phy s HIS 108 Cb -0.10 0.38 -0.04 0.00 0.04 0.00 0.00 32.58 32.85 3phy s HIS 108 CO 0.42 -1.00 -0.12 -1.64 -2.34 0.00 0.00 174.74 170.05 3phy s MET 109 N 2.84 2.00 0.31 2.88 1.00 -0.96 -1.35 119.30 126.03 3phy s MET 109 Ca 0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 55.69 54.65 3phy s MET 109 Cb -0.11 -2.21 -0.00 0.00 0.00 0.00 0.00 34.83 32.51 3phy s MET 109 CO -0.24 0.48 0.44 0.21 0.00 0.00 0.00 175.02 175.90 3phy s LYS 110 N -2.35 1.78 -0.52 2.03 2.20 -0.11 -2.33 119.74 120.44 3phy s LYS 110 Ca 0.21 -1.67 -0.25 0.00 -0.36 0.00 0.00 55.97 53.90 3phy s LYS 110 Cb -0.10 0.43 0.03 0.00 -1.51 0.00 0.00 37.83 36.68 3phy s LYS 110 CO 0.13 -0.72 0.97 0.21 -0.36 0.00 0.00 175.35 175.57 3phy s LYS 111 N -3.33 3.43 0.69 4.03 2.20 -0.21 -1.46 119.74 125.08 3phy s LYS 111 Ca 0.30 -0.04 -0.17 0.00 -0.36 0.00 0.00 55.97 55.71 3phy s LYS 111 Cb 0.00 -4.00 -0.00 0.00 -1.51 0.00 0.00 37.83 32.32 3phy s LYS 111 CO 0.18 -1.42 1.01 0.00 -0.36 0.00 0.00 175.35 174.77 3phy n ALA 112 N 7.49 0.02 1.20 3.13 0.00 -1.12 -4.88 120.51 126.35 3phy n ALA 112 Ca 0.04 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.45 3phy n ALA 112 Cb 0.48 -2.14 0.35 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.58 1.65 -0.18 0.00 7.94 -1.26 -3.95 117.00 119.63 3phy n LEU 113 Ca 0.14 -0.71 -0.08 0.00 -1.11 0.00 0.00 56.01 54.25 3phy n LEU 113 Cb 0.49 -0.12 0.01 0.00 0.53 0.00 0.00 43.42 44.33 3phy n LEU 113 CO 0.48 0.36 0.99 -1.28 -1.11 0.00 0.00 177.39 176.83 3phy h SER 114 N 2.13 0.66 0.00 1.96 0.87 -1.95 -3.46 113.55 113.77 3phy h SER 114 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3phy h SER 114 Cb 0.47 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3phy h SER 114 CO 0.00 0.61 0.00 0.61 -0.53 0.00 0.00 176.83 177.52 3phy n GLY 115 N -0.91 -0.53 3.47 5.77 0.00 -1.26 -4.94 105.19 106.78 3phy n GLY 115 Ca 0.02 0.65 -0.25 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.46 -4.87 1.61 8.00 -1.26 -4.95 116.55 110.62 3phy n ASP 116 Ca 0.00 -0.49 -0.21 0.00 0.71 0.00 0.00 54.79 54.80 3phy n ASP 116 Cb 0.00 -3.63 0.07 0.00 -0.02 0.00 0.00 41.12 37.54 3phy n ASP 116 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3phy s SER 117 N -2.88 4.93 -0.24 -2.24 0.15 -1.25 -4.31 113.70 107.85 3phy s SER 117 Ca 0.46 -0.33 -0.03 0.00 0.70 0.00 0.00 55.95 56.76 3phy s SER 117 Cb -0.23 -0.32 0.12 0.00 -1.71 0.00 0.00 66.02 63.87 3phy s SER 117 CO 0.57 -1.42 0.28 -0.31 1.20 0.00 0.00 173.24 173.57 3phy s TYR 118 N -2.85 -0.46 -0.11 3.44 2.02 -0.94 -2.78 117.35 115.67 3phy s TYR 118 Ca 0.61 0.23 -0.05 0.00 -0.37 0.00 0.00 57.07 57.49 3phy s TYR 118 Cb -0.08 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 3phy s TYR 118 CO 0.40 -0.73 0.08 1.67 -1.57 0.00 0.00 175.55 175.39 3phy s TRP 119 N 2.39 3.39 -0.28 2.71 1.48 -0.54 -1.41 118.94 126.67 3phy s TRP 119 Ca 0.09 0.36 -0.00 0.00 -1.06 0.00 0.00 56.10 55.49 3phy s TRP 119 Cb -0.15 -1.88 0.05 0.00 -1.16 0.00 0.00 33.47 30.33 3phy s TRP 119 CO -0.20 0.59 -0.04 0.08 -4.06 0.00 0.00 176.95 173.31 3phy s VAL 120 N -0.88 2.69 -0.29 -0.66 1.01 -0.10 -0.93 120.40 121.24 3phy s VAL 120 Ca 0.14 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.49 3phy s VAL 120 Cb -0.12 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3phy s VAL 120 CO 0.03 -0.05 0.52 -0.36 0.00 0.00 0.00 175.10 175.23 3phy s PHE 121 N 1.21 3.24 -0.25 5.22 0.08 -0.46 -2.99 117.98 124.03 3phy s PHE 121 Ca -0.06 0.51 -0.10 0.00 0.12 0.00 0.00 56.93 57.40 3phy s PHE 121 Cb -0.20 -2.79 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 3phy s PHE 121 CO -0.03 -0.36 0.15 0.08 -0.10 0.00 0.00 175.22 174.96 3phy s VAL 122 N 2.35 5.12 -0.25 -0.44 1.01 -0.65 -1.21 120.40 126.33 3phy s VAL 122 Ca 0.21 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 3phy s VAL 122 Cb -0.15 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3phy s VAL 122 CO 0.10 0.32 0.21 -0.75 0.00 0.00 0.00 175.10 174.98 3phy s LYS 123 N 1.35 4.04 -0.20 2.72 2.47 -0.70 -1.77 119.74 127.65 3phy s LYS 123 Ca 0.07 -0.22 -0.29 0.00 -1.56 0.00 0.00 55.97 53.97 3phy s LYS 123 Cb -0.15 -3.59 -0.01 0.00 -1.46 0.00 0.00 37.83 32.63 3phy s LYS 123 CO 0.06 -0.05 1.29 0.50 0.16 0.00 0.00 175.35 177.32 3phy s ARG 124 N 1.38 4.13 0.00 4.03 3.52 -1.20 -1.09 118.95 129.71 3phy s ARG 124 Ca 0.09 1.56 0.31 0.00 -0.13 0.00 0.00 55.73 57.56 3phy s ARG 124 Cb -0.15 -3.81 1.70 0.00 -1.56 0.00 0.00 34.95 31.14 3phy s ARG 124 CO 0.07 -0.85 2.11 0.28 -0.81 0.00 0.00 175.30 176.11