#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 0.00 -2.55 2.12 0.28 -1.26 -5.17 120.64 114.06 3phy n GLU 2 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.95 3phy n GLU 2 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 3phy n GLU 2 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3phy n HIS 3 N -0.79 -0.13 -3.76 -1.84 8.25 -1.26 -5.09 115.22 110.60 3phy n HIS 3 Ca 0.00 -0.67 -0.35 0.00 -0.26 0.00 0.00 57.72 56.44 3phy n HIS 3 Cb 0.00 0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.05 3phy n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3phy s VAL 4 N -2.20 3.47 -1.17 1.59 0.11 -1.26 -4.75 120.40 116.18 3phy s VAL 4 Ca 0.08 -2.88 -0.00 0.00 -2.93 0.00 0.00 61.98 56.25 3phy s VAL 4 Cb 0.00 -3.30 -0.00 0.00 -1.53 0.00 0.00 36.38 31.55 3phy s VAL 4 CO 0.06 -0.84 0.98 0.00 -3.33 0.00 0.00 175.10 171.97 3phy n ALA 5 N 3.59 -1.99 -1.17 1.54 0.00 -1.25 0.22 120.51 121.44 3phy n ALA 5 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 3phy n ALA 5 Cb 0.38 -2.46 -0.02 0.00 0.00 0.00 0.00 19.45 17.34 3phy n ALA 5 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3phy n PHE 6 N -4.05 0.00 0.00 0.00 -0.00 -1.26 -1.66 117.46 110.48 3phy n PHE 6 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.17 3phy n PHE 6 Cb 0.67 -1.65 0.00 0.00 -0.00 0.00 0.00 39.48 38.50 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3phy n GLY 7 N -1.09 0.71 3.80 7.13 0.00 0.53 -4.91 105.19 111.36 3phy n GLY 7 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.94 7.13 -0.90 1.61 1.04 0.58 -4.73 113.70 116.49 3phy s SER 8 Ca 0.00 1.75 -0.03 0.00 0.48 0.00 0.00 55.95 58.15 3phy s SER 8 Cb 0.00 -2.55 0.25 0.00 0.10 0.00 0.00 66.02 63.82 3phy s SER 8 CO 0.00 -0.21 2.16 -0.62 0.98 0.00 0.00 173.24 175.55 3phy n GLU 9 N -0.03 3.78 -2.84 4.02 -0.58 -1.26 -3.84 120.64 119.89 3phy n GLU 9 Ca 0.04 -3.64 -0.03 0.00 -0.42 0.00 0.00 57.16 53.11 3phy n GLU 9 Cb 0.52 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3phy n ASP 10 N 0.20 -7.36 0.06 1.62 8.00 -1.26 -4.85 116.55 112.96 3phy n ASP 10 Ca 0.52 0.18 -0.07 0.00 0.71 0.00 0.00 54.79 56.13 3phy n ASP 10 Cb 0.30 -4.97 -0.05 0.00 -0.02 0.00 0.00 41.12 36.38 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3phy h ILE 11 N 1.03 0.42 -1.37 0.53 1.08 -1.97 -3.08 117.51 114.16 3phy h ILE 11 Ca 0.00 -1.02 0.43 0.00 -0.39 0.00 0.00 64.86 63.88 3phy h ILE 11 Cb 0.96 0.74 -0.09 0.00 -3.07 0.00 0.00 36.82 35.36 3phy h ILE 11 CO 0.23 0.12 0.94 1.21 -0.69 0.00 0.00 178.15 179.96 3phy n GLU 12 N -4.93 -0.02 0.03 2.37 2.13 -1.26 0.16 120.64 119.13 3phy n GLU 12 Ca -0.06 0.95 -0.22 0.00 0.66 0.00 0.00 57.16 58.50 3phy n GLU 12 Cb 0.19 -2.03 -0.14 0.00 0.27 0.00 0.00 31.44 29.73 3phy n GLU 12 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3phy h ASN 13 N 0.00 0.45 0.40 4.31 4.21 -1.94 -3.20 115.58 119.80 3phy h ASN 13 Ca 0.74 -0.88 0.00 0.00 1.21 0.00 0.00 56.30 57.37 3phy h ASN 13 Cb 2.70 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 39.75 3phy h ASN 13 CO -0.20 1.61 0.00 0.41 -1.29 0.00 0.00 177.43 177.96 3phy n THR 14 N -3.90 0.83 0.00 2.81 -1.04 0.43 -2.26 114.28 111.15 3phy n THR 14 Ca -0.23 0.21 0.07 0.00 -2.04 0.00 0.00 64.05 62.05 3phy n THR 14 Cb 0.92 -0.96 -0.12 0.00 -1.82 0.00 0.00 70.33 68.35 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 -1.41 0.28 0.10 -4.42 4.77 0.13 -0.26 117.00 116.20 3phy n LEU 15 Ca 0.05 0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 3phy n LEU 15 Cb 0.14 0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 3phy n LEU 15 CO 0.12 0.05 0.35 0.00 -1.33 0.00 0.00 177.39 176.59 3phy h ALA 16 N 1.78 0.71 0.00 -1.18 0.00 -1.45 -3.33 119.26 115.79 3phy h ALA 16 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3phy h ALA 16 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3phy h ALA 16 CO 0.01 0.91 -0.21 1.63 0.00 0.00 0.00 179.25 181.59 3phy n LYS 17 N -3.68 0.62 -1.40 0.00 5.02 -1.22 -5.11 118.16 112.40 3phy n LYS 17 Ca -0.02 -1.22 0.17 0.00 -2.02 0.00 0.00 58.31 55.22 3phy n LYS 17 Cb 0.74 -0.75 -0.08 0.00 -0.02 0.00 0.00 35.03 34.91 3phy n LYS 17 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3phy n MET 18 N -0.33 -3.18 0.00 1.97 1.56 0.64 -5.03 117.12 112.75 3phy n MET 18 Ca 0.03 2.53 0.00 0.00 -0.27 0.00 0.00 57.70 59.99 3phy n MET 18 Cb 0.58 -3.74 0.00 0.00 2.15 0.00 0.00 33.22 32.21 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 -4.27 0.00 -2.93 6.12 9.92 -1.19 -4.75 116.55 119.45 3phy n ASP 19 Ca -0.07 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.14 3phy n ASP 19 Cb 0.66 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.15 3phy n ASP 19 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3phy n ASP 20 N 0.00 -7.44 -1.32 -2.24 8.00 -1.26 -2.33 116.55 109.95 3phy n ASP 20 Ca 0.00 0.88 -0.16 0.00 0.71 0.00 0.00 54.79 56.22 3phy n ASP 20 Cb 0.00 -4.08 -0.06 0.00 -0.02 0.00 0.00 41.12 36.96 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 21 N 0.61 1.36 3.38 0.44 0.00 -1.26 -2.30 105.19 107.41 3phy n GLY 21 Ca 0.01 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 3phy n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3phy n GLN 22 N -2.53 -3.55 -2.74 1.61 1.13 -1.15 -2.97 117.38 107.17 3phy n GLN 22 Ca -0.17 0.51 -0.06 0.00 -1.94 0.00 0.00 57.00 55.34 3phy n GLN 22 Cb 0.55 -5.23 0.01 0.00 0.11 0.00 0.00 30.24 25.68 3phy n GLN 22 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3phy n LEU 23 N -3.79 -7.60 0.00 1.08 -0.00 -0.97 -4.61 117.00 101.10 3phy n LEU 23 Ca -0.02 0.64 0.00 0.00 -0.00 0.00 0.00 56.01 56.63 3phy n LEU 23 Cb 0.55 -3.25 0.00 0.00 -0.00 0.00 0.00 43.42 40.72 3phy n LEU 23 CO 0.53 -2.35 0.00 0.47 -0.00 0.00 0.00 177.39 176.04 3phy n ASP 24 N -0.16 0.00 -1.63 1.96 9.92 -1.16 -4.58 116.55 120.91 3phy n ASP 24 Ca 0.09 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.30 3phy n ASP 24 Cb 0.36 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 41.05 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 -0.99 3.06 3.83 0.44 0.00 -1.26 -3.07 105.19 107.21 3phy n GLY 25 Ca 0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.04 3.37 -0.03 0.99 1.02 -1.26 -4.92 118.68 115.81 3phy s LEU 26 Ca 0.38 1.61 0.09 0.00 0.02 0.00 0.00 54.13 56.23 3phy s LEU 26 Cb 0.30 -4.50 0.29 0.00 0.02 0.00 0.00 46.19 42.30 3phy s LEU 26 CO 0.09 -1.03 1.17 0.00 0.02 0.00 0.00 176.35 176.61 3phy n ALA 27 N -2.37 2.62 -3.39 4.21 0.00 -1.26 -4.65 120.51 115.67 3phy n ALA 27 Ca 0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 3phy n ALA 27 Cb 0.54 -1.00 -0.06 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 -1.63 -1.04 0.92 0.00 -0.71 -1.26 -3.16 117.98 111.11 3phy s PHE 28 Ca 0.21 1.28 -0.14 0.00 -1.04 0.00 0.00 56.93 57.25 3phy s PHE 28 Cb 0.13 0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 42.18 3phy s PHE 28 CO 0.12 -0.70 0.17 0.41 -1.34 0.00 0.00 175.22 173.88 3phy n GLY 29 N 5.39 -2.50 2.76 1.99 0.00 -0.78 -4.52 105.19 107.53 3phy n GLY 29 Ca -0.05 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.25 0.88 0.25 4.61 0.00 -1.17 -1.27 121.76 122.82 3phy s ALA 30 Ca 0.55 -0.44 0.11 0.00 0.00 0.00 0.00 51.96 52.17 3phy s ALA 30 Cb -0.23 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 3phy s ALA 30 CO 0.69 -0.84 -0.13 0.96 0.00 0.00 0.00 175.76 176.44 3phy s ILE 31 N 1.91 2.86 0.35 0.00 -5.25 -1.15 -3.63 121.20 116.29 3phy s ILE 31 Ca 0.02 -2.10 0.05 0.00 -0.99 0.00 0.00 60.65 57.62 3phy s ILE 31 Cb -0.15 -2.48 -0.07 0.00 2.95 0.00 0.00 42.46 42.71 3phy s ILE 31 CO -0.07 -0.31 0.05 -1.10 -1.79 0.00 0.00 174.94 171.71 3phy s GLN 32 N -3.35 1.75 -0.09 0.37 -1.52 -1.14 -1.54 119.66 114.14 3phy s GLN 32 Ca 0.28 -1.98 -0.26 0.00 -1.95 0.00 0.00 55.36 51.46 3phy s GLN 32 Cb -0.06 -1.07 0.06 0.00 -0.22 0.00 0.00 33.01 31.71 3phy s GLN 32 CO 0.16 -0.16 0.60 -0.51 -0.25 0.00 0.00 175.29 175.12 3phy s LEU 33 N -3.56 -0.31 -0.09 2.90 1.43 0.19 -2.46 118.68 116.78 3phy s LEU 33 Ca 0.35 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 3phy s LEU 33 Cb 0.09 2.20 0.01 0.00 0.03 0.00 0.00 46.19 48.53 3phy s LEU 33 CO 0.16 -0.48 -0.14 -1.81 0.23 0.00 0.00 176.35 174.31 3phy s ASP 34 N -0.85 2.20 0.00 2.29 1.01 -0.82 -2.20 116.67 118.31 3phy s ASP 34 Ca -0.09 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 52.80 3phy s ASP 34 Cb -0.02 -0.99 0.00 0.00 1.01 0.00 0.00 42.92 42.92 3phy s ASP 34 CO 0.07 0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.08 3phy n GLY 35 N 4.07 0.00 0.00 0.21 0.00 -1.26 -1.11 105.19 107.10 3phy n GLY 35 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 0.00 1.61 9.92 -1.26 -4.80 116.55 122.02 3phy n ASP 36 Ca 0.00 -0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 3phy n ASP 36 Cb 0.00 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 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 -0.04 0.63 3.71 0.44 0.00 -0.27 -4.93 105.19 104.73 3phy n GLY 37 Ca 0.09 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3phy n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy s ASN 38 N -2.48 7.05 0.31 1.61 2.20 -1.19 -2.59 114.94 119.84 3phy s ASN 38 Ca 0.00 2.03 -0.30 0.00 -0.94 0.00 0.00 52.86 53.66 3phy s ASN 38 Cb 0.00 -2.58 -0.12 0.00 -2.00 0.00 0.00 41.25 36.55 3phy s ASN 38 CO 0.00 -0.50 1.52 0.00 -2.94 0.00 0.00 177.10 175.18 3phy n ILE 39 N 4.00 1.29 -0.09 0.54 3.06 -1.17 -1.95 119.36 125.04 3phy n ILE 39 Ca 0.09 -0.32 -0.08 0.00 -2.50 0.00 0.00 62.75 59.94 3phy n ILE 39 Cb 0.46 -1.86 -0.15 0.00 0.54 0.00 0.00 39.64 38.64 3phy n ILE 39 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3phy n LEU 40 N 1.70 0.00 -3.82 9.51 4.77 -1.03 -3.89 117.00 124.24 3phy n LEU 40 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 3phy n LEU 40 Cb 0.36 0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.91 3phy n LEU 40 CO 0.64 0.44 0.52 0.00 -1.33 0.00 0.00 177.39 177.66 3phy s GLN 41 N -2.49 2.15 0.00 3.23 1.03 -1.26 -4.94 119.66 117.38 3phy s GLN 41 Ca -0.09 -1.35 0.00 0.00 0.04 0.00 0.00 55.36 53.96 3phy s GLN 41 Cb 0.06 0.62 0.00 0.00 0.03 0.00 0.00 33.01 33.72 3phy s GLN 41 CO 0.77 -1.00 0.00 0.98 -2.54 0.00 0.00 175.29 173.50 3phy n TYR 42 N -0.52 -1.78 0.00 9.60 9.36 -1.24 -2.87 117.16 129.72 3phy n TYR 42 Ca -0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.15 3phy n TYR 42 Cb 0.60 0.44 0.00 0.00 -0.63 0.00 0.00 39.34 39.75 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 -2.38 0.00 0.02 2.98 6.94 -1.26 -3.02 115.26 118.54 3phy n ASN 43 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.66 3phy n ASN 43 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 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 -0.17 2.65 0.12 -2.53 0.00 -1.26 -4.04 120.51 115.28 3phy n ALA 44 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 3phy n ALA 44 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 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 1.95 -0.95 -0.06 0.00 0.00 -1.84 0.45 119.26 118.81 3phy h ALA 45 Ca -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3phy h ALA 45 Cb 1.06 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3phy h ALA 45 CO 0.00 -0.95 0.03 1.05 0.00 0.00 0.00 179.25 179.38 3phy h GLU 46 N -0.38 0.08 0.00 0.00 4.11 -1.85 -1.04 114.58 115.50 3phy h GLU 46 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3phy h GLU 46 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3phy h GLU 46 CO 0.00 0.11 0.00 0.41 0.07 0.00 0.00 179.01 179.61 3phy n GLY 47 N -0.94 -0.87 0.10 1.06 0.00 -1.20 -1.24 105.19 102.10 3phy n GLY 47 Ca -0.06 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3phy n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3phy h ASP 48 N 0.00 0.34 0.00 1.61 3.58 0.13 0.38 116.42 122.46 3phy h ASP 48 Ca 0.00 -0.38 -0.03 0.00 0.42 0.00 0.00 57.03 57.04 3phy h ASP 48 Cb 0.04 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 3phy h ASP 48 CO 0.00 1.30 -0.26 0.40 -2.88 0.00 0.00 179.24 177.80 3phy h ILE 49 N 0.06 0.77 0.00 2.25 5.03 -1.00 -3.36 117.51 121.26 3phy h ILE 49 Ca -0.13 -1.65 -0.08 0.00 -0.12 0.00 0.00 64.86 62.88 3phy h ILE 49 Cb 1.94 1.53 -0.01 0.00 -3.03 0.00 0.00 36.82 37.25 3phy h ILE 49 CO 0.18 0.26 -0.39 0.71 -0.68 0.00 0.00 178.15 178.23 3phy h THR 50 N -1.00 0.69 0.00 -0.27 1.35 -1.43 -3.47 112.91 108.78 3phy h THR 50 Ca -0.05 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 3phy h THR 50 Cb 0.62 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 3phy h THR 50 CO -0.03 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 3phy n GLY 51 N 1.06 1.57 3.55 5.82 0.00 0.13 -4.98 105.19 112.34 3phy n GLY 51 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 3phy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy n ARG 52 N -2.00 0.53 -0.62 1.61 1.74 -1.13 -4.81 116.66 111.98 3phy n ARG 52 Ca 0.00 -0.76 -0.29 0.00 -0.77 0.00 0.00 57.85 56.03 3phy n ARG 52 Cb 0.00 -3.48 0.23 0.00 -1.02 0.00 0.00 32.46 28.19 3phy n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3phy s ASP 53 N 10.10 1.57 -0.10 0.55 1.01 -1.26 -3.69 116.67 124.84 3phy s ASP 53 Ca 0.96 1.67 -0.18 0.00 0.71 0.00 0.00 52.55 55.71 3phy s ASP 53 Cb -0.19 -2.35 -0.15 0.00 1.01 0.00 0.00 42.92 41.23 3phy s ASP 53 CO 0.13 -3.86 0.56 1.55 0.21 0.00 0.00 175.17 173.76 3phy h PRO 54 N -2.39 -0.05 0.00 8.23 0.13 -1.91 -1.97 132.00 134.04 3phy h PRO 54 Ca -0.56 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 3phy h PRO 54 Cb 1.32 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3phy h PRO 54 CO 0.49 0.50 -0.13 1.57 -0.23 0.00 0.00 178.00 180.20 3phy h LYS 55 N -0.96 0.00 0.13 0.86 2.10 -1.95 -2.04 116.57 114.72 3phy h LYS 55 Ca -0.01 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.43 3phy h LYS 55 Cb 0.57 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.92 3phy h LYS 55 CO 0.01 0.13 -0.98 0.37 -2.00 0.00 0.00 179.45 176.97 3phy h GLN 56 N 0.00 0.28 0.00 0.07 -0.00 -1.94 -3.23 115.11 110.29 3phy h GLN 56 Ca -0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 3phy h GLN 56 Cb 0.39 0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.05 3phy h GLN 56 CO 0.02 1.23 0.00 1.33 0.00 0.00 0.00 178.83 181.41 3phy n VAL 57 N -4.08 0.19 -2.16 2.39 0.24 -0.74 -4.58 118.33 109.59 3phy n VAL 57 Ca -0.17 0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.75 3phy n VAL 57 Cb 0.84 -0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 32.49 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 -2.31 3.68 0.00 1.34 1.01 -0.78 -1.53 121.20 122.60 3phy s ILE 58 Ca 0.26 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.90 3phy s ILE 58 Cb 0.15 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3phy s ILE 58 CO 0.29 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3phy n GLY 59 N 3.79 3.04 3.70 6.18 0.00 -1.25 -4.99 105.19 115.66 3phy n GLY 59 Ca 0.14 0.00 -0.42 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 -0.62 4.47 -0.46 1.61 -0.14 -0.58 -4.74 119.74 119.28 3phy s LYS 60 Ca 0.00 1.43 -0.27 0.00 -1.36 0.00 0.00 55.97 55.76 3phy s LYS 60 Cb 0.00 -3.51 -0.03 0.00 -1.68 0.00 0.00 37.83 32.62 3phy s LYS 60 CO 0.00 -0.22 1.91 -0.80 -0.76 0.00 0.00 175.35 175.47 3phy s ASN 61 N 1.08 5.46 0.48 2.83 0.02 -1.26 -3.07 114.94 120.48 3phy s ASN 61 Ca 0.50 0.90 0.25 0.00 -1.02 0.00 0.00 52.86 53.49 3phy s ASN 61 Cb -0.20 -2.52 1.37 0.00 0.02 0.00 0.00 41.25 39.91 3phy s ASN 61 CO 0.22 -2.13 1.74 0.15 0.02 0.00 0.00 177.10 177.10 3phy h PHE 62 N 14.57 0.00 0.06 2.20 3.57 -1.85 1.01 116.94 136.51 3phy h PHE 62 Ca -0.30 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 60.84 3phy h PHE 62 Cb 1.18 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 3phy h PHE 62 CO 0.99 0.00 -2.15 1.19 -2.23 0.00 0.00 178.31 176.11 3phy n PHE 63 N -2.51 0.74 -2.62 0.41 3.72 -1.26 -2.63 117.46 113.30 3phy n PHE 63 Ca -0.02 0.17 -0.08 0.00 -0.05 0.00 0.00 57.45 57.47 3phy n PHE 63 Cb 0.23 -1.10 0.04 0.00 -0.94 0.00 0.00 39.48 37.71 3phy n PHE 63 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 3phy n LYS 64 N -3.31 2.10 0.00 -1.08 0.00 -0.71 -3.68 118.16 111.48 3phy n LYS 64 Ca -0.35 -3.66 0.00 0.00 -0.00 0.00 0.00 58.31 54.30 3phy n LYS 64 Cb 1.04 -1.71 0.00 0.00 -0.00 0.00 0.00 35.03 34.36 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 -0.50 0.00 -0.07 -5.58 8.00 0.34 -4.75 116.55 113.98 3phy n ASP 65 Ca 0.17 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.52 3phy n ASP 65 Cb 0.83 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3phy n VAL 66 N -0.75 0.91 -3.88 2.53 0.31 -0.34 -4.79 118.33 112.32 3phy n VAL 66 Ca 0.00 -0.15 -0.34 0.00 -0.01 0.00 0.00 64.34 63.85 3phy n VAL 66 Cb 0.00 -1.75 -0.13 0.00 -0.91 0.00 0.00 33.84 31.05 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 -2.31 3.14 -1.86 3.52 0.00 -1.08 -4.93 121.76 118.24 3phy s ALA 67 Ca -0.20 -2.73 0.22 0.00 0.00 0.00 0.00 51.96 49.25 3phy s ALA 67 Cb 0.07 -2.25 1.29 0.00 0.00 0.00 0.00 23.12 22.23 3phy s ALA 67 CO 0.26 -1.83 1.72 -0.35 0.00 0.00 0.00 175.76 175.56 3phy n PRO 68 N 4.12 0.61 -0.03 0.00 -0.04 -1.26 -2.86 135.00 135.54 3phy n PRO 68 Ca 0.02 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 3phy n PRO 68 Cb 0.40 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 3phy n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3phy h THR 70 N 0.00 1.26 -0.53 0.00 1.35 -1.79 -3.39 112.91 109.80 3phy h THR 70 Ca -0.29 -1.18 -0.12 0.00 -0.55 0.00 0.00 66.41 64.27 3phy h THR 70 Cb 1.77 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3phy h THR 70 CO 0.04 0.39 0.50 0.47 -0.25 0.00 0.00 175.52 176.67 3phy n ASP 71 N -4.16 1.60 0.00 5.36 9.92 -1.24 -1.58 116.55 126.45 3phy n ASP 71 Ca 0.01 -1.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.05 3phy n ASP 71 Cb 0.37 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.31 3phy n ASP 71 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3phy n SER 72 N 17.04 0.00 -4.58 -2.24 7.64 -1.26 -4.93 113.62 125.29 3phy n SER 72 Ca 0.47 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.98 3phy n SER 72 Cb 0.42 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 3phy n SER 72 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3phy s PRO 73 N -2.00 3.43 0.00 1.43 0.04 -1.26 -0.51 135.00 136.13 3phy s PRO 73 Ca 0.00 -1.63 0.00 0.00 0.04 0.00 0.00 61.00 59.41 3phy s PRO 73 Cb 0.00 -5.42 0.00 0.00 0.04 0.00 0.00 34.50 29.12 3phy s PRO 73 CO 0.00 -2.87 0.00 0.39 0.04 0.00 0.00 177.00 174.56 3phy n GLU 74 N 8.40 0.00 -0.01 4.56 1.02 -1.26 -4.83 120.64 128.52 3phy n GLU 74 Ca 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.59 3phy n GLU 74 Cb 0.46 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.88 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3phy n PHE 75 N 0.00 0.00 0.39 -0.32 -0.00 -1.16 -4.28 117.46 112.10 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 -0.07 0.43 0.00 -0.00 0.00 0.00 39.48 39.83 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 -0.15 0.00 0.68 -5.13 3.20 -0.87 -3.04 116.97 111.67 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 0.15 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.43 3phy h TYR 76 CO -0.06 0.00 -0.33 0.78 -1.64 0.00 0.00 178.16 176.91 3phy h GLY 77 N 3.33 -0.96 2.00 1.82 0.00 -1.05 0.52 103.07 108.74 3phy h GLY 77 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3phy h GLY 77 CO 0.00 -0.35 0.00 0.50 0.00 0.00 0.00 176.54 176.69 3phy h LYS 78 N -1.10 0.00 0.21 4.80 1.79 -1.73 -1.30 116.57 119.24 3phy h LYS 78 Ca -0.09 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.05 3phy h LYS 78 Cb 0.74 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.41 3phy h LYS 78 CO 0.15 0.00 -1.47 0.35 -1.08 0.00 0.00 179.45 177.41 3phy h PHE 79 N 0.00 0.80 0.00 -1.35 3.04 -1.31 -1.57 116.94 116.55 3phy h PHE 79 Ca 0.00 -0.59 0.00 0.00 3.98 0.00 0.00 57.97 61.36 3phy h PHE 79 Cb 0.09 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.57 3phy h PHE 79 CO 0.00 1.50 0.00 1.63 -2.02 0.00 0.00 178.31 179.42 3phy n LYS 80 N -3.64 0.12 -0.09 1.11 5.02 0.13 -1.44 118.16 119.36 3phy n LYS 80 Ca -0.16 0.23 -0.20 0.00 -2.02 0.00 0.00 58.31 56.16 3phy n LYS 80 Cb 1.08 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 34.29 3phy n LYS 80 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3phy n GLU 81 N -1.89 0.68 -0.27 1.97 0.28 -0.92 -3.57 120.64 116.92 3phy n GLU 81 Ca 0.04 0.20 -0.04 0.00 -0.16 0.00 0.00 57.16 57.21 3phy n GLU 81 Cb 0.29 -1.58 0.12 0.00 1.43 0.00 0.00 31.44 31.70 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3phy h GLY 82 N 1.44 1.21 1.05 -1.84 0.00 -1.22 0.40 103.07 104.11 3phy h GLY 82 Ca -0.54 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.18 3phy h GLY 82 CO -0.06 0.56 0.48 -2.08 0.00 0.00 0.00 176.54 175.44 3phy h VAL 83 N 1.13 1.26 -0.02 4.60 2.07 -1.41 -1.62 116.25 122.25 3phy h VAL 83 Ca 0.27 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3phy h VAL 83 Cb 0.11 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3phy h VAL 83 CO -0.04 0.29 -0.01 0.00 0.02 0.00 0.00 177.57 177.83 3phy n ALA 84 N -2.41 2.55 -0.04 1.67 0.00 -0.79 -4.17 120.51 117.32 3phy n ALA 84 Ca 0.09 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.98 3phy n ALA 84 Cb 0.10 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 3phy n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3phy n SER 85 N 0.74 1.22 -0.02 0.00 2.88 0.14 -4.99 113.62 113.59 3phy n SER 85 Ca 0.16 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.70 3phy n SER 85 Cb 0.48 1.39 -0.00 0.00 -0.75 0.00 0.00 64.21 65.32 3phy n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3phy n GLY 86 N 1.77 0.44 2.45 0.46 0.00 -0.65 -4.92 105.19 104.74 3phy n GLY 86 Ca -0.12 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 1.19 -0.45 -4.61 1.61 4.13 -1.24 -5.09 115.26 110.80 3phy n ASN 87 Ca -0.00 -3.23 -0.43 0.00 1.68 0.00 0.00 54.58 52.60 3phy n ASN 87 Cb 0.01 0.42 -0.03 0.00 -1.54 0.00 0.00 39.78 38.65 3phy n ASN 87 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3phy s LEU 88 N -2.45 3.67 -0.49 3.41 0.20 -1.26 -4.87 118.68 116.90 3phy s LEU 88 Ca 0.32 1.43 0.07 0.00 0.69 0.00 0.00 54.13 56.63 3phy s LEU 88 Cb 0.34 -3.53 0.19 0.00 -0.43 0.00 0.00 46.19 42.76 3phy s LEU 88 CO -0.06 -1.51 0.70 0.54 -0.29 0.00 0.00 176.35 175.74 3phy s ASN 89 N 5.23 -1.47 0.33 3.68 4.22 -1.25 -1.37 114.94 124.31 3phy s ASN 89 Ca 0.76 -1.45 0.03 0.00 -2.14 0.00 0.00 52.86 50.06 3phy s ASN 89 Cb -0.23 1.91 -0.05 0.00 1.28 0.00 0.00 41.25 44.16 3phy s ASN 89 CO 0.32 -0.08 0.10 0.28 -2.04 0.00 0.00 177.10 175.68 3phy s THR 90 N 1.15 0.73 0.28 0.54 -1.32 -0.83 -5.01 115.64 111.19 3phy s THR 90 Ca 0.26 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.53 3phy s THR 90 Cb -0.01 -2.59 0.03 0.00 -1.51 0.00 0.00 72.50 68.41 3phy s THR 90 CO -0.06 0.00 0.75 0.00 -2.21 0.00 0.00 174.62 173.10 3phy s MET 91 N -3.87 1.80 0.00 7.08 0.23 -1.26 -1.87 119.30 121.41 3phy s MET 91 Ca 0.33 -1.02 0.00 0.00 -1.03 0.00 0.00 55.69 53.98 3phy s MET 91 Cb 0.06 0.60 0.00 0.00 -1.53 0.00 0.00 34.83 33.96 3phy s MET 91 CO 0.15 -0.83 0.00 1.97 -2.03 0.00 0.00 175.02 174.29 3phy n PHE 92 N -0.47 0.00 -3.72 3.16 1.16 -1.19 -4.97 117.46 111.43 3phy n PHE 92 Ca -0.05 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.15 3phy n PHE 92 Cb 0.59 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.35 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 -1.65 2.45 0.58 3.97 -6.30 -1.26 -1.15 118.70 115.33 3phy s GLU 93 Ca 0.00 -1.45 0.08 0.00 -2.50 0.00 0.00 54.97 51.09 3phy s GLU 93 Cb 0.00 -3.58 0.08 0.00 0.00 0.00 0.00 34.13 30.63 3phy s GLU 93 CO 0.00 -0.87 0.64 0.98 0.02 0.00 0.00 175.26 176.03 3phy n TYR 94 N 4.78 -1.51 -3.55 5.30 9.36 -0.99 -4.96 117.16 125.59 3phy n TYR 94 Ca -0.09 -2.25 -0.20 0.00 3.32 0.00 0.00 57.90 58.68 3phy n TYR 94 Cb 0.43 -0.51 -0.14 0.00 -0.63 0.00 0.00 39.34 38.48 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 -2.71 -0.27 -0.05 2.97 2.01 -1.26 -2.41 115.64 113.92 3phy s THR 95 Ca 0.48 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 3phy s THR 95 Cb -0.04 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 3phy s THR 95 CO 0.31 -0.16 0.69 -0.36 -0.69 0.00 0.00 174.62 174.41 3phy s PHE 96 N 2.28 3.61 -0.46 4.92 0.08 -0.80 -4.90 117.98 122.71 3phy s PHE 96 Ca 0.05 1.26 0.06 0.00 0.12 0.00 0.00 56.93 58.42 3phy s PHE 96 Cb -0.15 -2.78 0.29 0.00 -0.57 0.00 0.00 43.02 39.81 3phy s PHE 96 CO -0.10 0.14 1.05 -0.40 -0.10 0.00 0.00 175.22 175.80 3phy n ASP 97 N 3.56 -2.49 -1.73 1.36 5.75 -1.26 -1.48 116.55 120.26 3phy n ASP 97 Ca -0.02 -3.45 -0.08 0.00 -0.01 0.00 0.00 54.79 51.22 3phy n ASP 97 Cb 0.51 1.85 0.00 0.00 -1.03 0.00 0.00 41.12 42.45 3phy n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3phy n TYR 98 N 0.86 0.66 -1.03 2.11 0.18 -1.26 -4.56 117.16 114.12 3phy n TYR 98 Ca 0.07 -1.45 0.00 0.00 1.88 0.00 0.00 57.90 58.40 3phy n TYR 98 Cb 0.68 -0.79 0.00 0.00 -0.38 0.00 0.00 39.34 38.85 3phy n TYR 98 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3phy n GLN 99 N 1.10 0.00 0.00 -3.48 10.64 -1.26 -4.98 117.38 119.39 3phy n GLN 99 Ca 0.16 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 3phy n GLN 99 Cb 0.56 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 3phy n MET 100 N -1.04 0.00 -3.54 2.61 1.56 -1.26 -5.14 117.12 110.31 3phy n MET 100 Ca 0.00 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.25 3phy n MET 100 Cb 0.25 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.56 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 -0.83 0.00 -1.26 1.12 -1.32 -1.26 -5.07 115.64 107.02 3phy s THR 101 Ca 0.00 -0.04 -0.20 0.00 -1.21 0.00 0.00 61.69 60.24 3phy s THR 101 Cb 0.00 -0.97 0.01 0.00 -1.51 0.00 0.00 72.50 70.03 3phy s THR 101 CO 0.00 -0.02 1.82 -0.81 -2.21 0.00 0.00 174.62 173.40 3phy n PRO 102 N 0.92 2.61 -2.76 7.08 -0.04 -1.26 -4.06 135.00 137.49 3phy n PRO 102 Ca -0.19 -2.97 -0.43 0.00 -0.04 0.00 0.00 63.50 59.87 3phy n PRO 102 Cb 0.57 -3.58 -0.04 0.00 -0.04 0.00 0.00 33.50 30.42 3phy n PRO 102 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3phy s THR 103 N 6.66 4.27 0.47 0.52 2.01 -0.55 -4.91 115.64 124.11 3phy s THR 103 Ca 0.59 0.45 -0.21 0.00 0.31 0.00 0.00 61.69 62.83 3phy s THR 103 Cb 0.03 -4.60 -0.08 0.00 0.01 0.00 0.00 72.50 67.85 3phy s THR 103 CO 0.10 -1.20 1.05 -0.75 -0.69 0.00 0.00 174.62 173.13 3phy s LYS 104 N 4.27 3.83 -0.13 4.92 2.20 -1.26 -1.90 119.74 131.68 3phy s LYS 104 Ca 0.34 1.42 -0.22 0.00 -0.36 0.00 0.00 55.97 57.14 3phy s LYS 104 Cb -0.11 -2.17 0.05 0.00 -1.51 0.00 0.00 37.83 34.09 3phy s LYS 104 CO 0.21 -0.41 0.56 0.14 -0.36 0.00 0.00 175.35 175.48 3phy s VAL 105 N -1.90 0.01 0.48 4.02 -7.23 -1.01 -3.12 120.40 111.66 3phy s VAL 105 Ca 0.66 -0.09 -0.19 0.00 -1.81 0.00 0.00 61.98 60.55 3phy s VAL 105 Cb -0.18 -0.83 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 3phy s VAL 105 CO 0.22 -0.05 0.99 -0.54 -0.31 0.00 0.00 175.10 175.41 3phy s LYS 106 N -0.45 3.96 0.13 4.82 3.01 -0.03 -2.34 119.74 128.83 3phy s LYS 106 Ca -0.06 1.16 0.07 0.00 -1.01 0.00 0.00 55.97 56.13 3phy s LYS 106 Cb -0.03 -2.13 -0.04 0.00 -1.01 0.00 0.00 37.83 34.62 3phy s LYS 106 CO 0.04 -0.27 -0.15 0.14 0.51 0.00 0.00 175.35 175.62 3phy s VAL 107 N -2.25 1.45 -0.13 3.17 -7.23 -0.30 -1.02 120.40 114.09 3phy s VAL 107 Ca 0.63 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 3phy s VAL 107 Cb -0.12 -1.56 0.06 0.00 0.56 0.00 0.00 36.38 35.31 3phy s VAL 107 CO 0.21 -0.35 0.28 -2.28 -0.31 0.00 0.00 175.10 172.65 3phy s HIS 108 N -1.98 -0.42 -0.06 2.82 2.46 -0.78 -3.16 115.29 114.17 3phy s HIS 108 Ca 0.09 0.94 0.01 0.00 0.47 0.00 0.00 55.06 56.57 3phy s HIS 108 Cb -0.06 0.05 0.02 0.00 -0.13 0.00 0.00 32.58 32.46 3phy s HIS 108 CO 0.04 -0.30 -0.05 -1.64 -2.47 0.00 0.00 174.74 170.32 3phy s MET 109 N 1.80 0.92 0.06 2.88 -1.94 -0.78 -0.46 119.30 121.77 3phy s MET 109 Ca -0.05 -0.10 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3phy s MET 109 Cb -0.11 -0.98 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 3phy s MET 109 CO -0.09 -0.13 -0.04 0.21 -0.01 0.00 0.00 175.02 174.95 3phy s LYS 110 N 1.16 0.63 -0.85 2.03 2.20 -0.39 -1.97 119.74 122.55 3phy s LYS 110 Ca -0.07 -1.13 -0.25 0.00 -0.36 0.00 0.00 55.97 54.16 3phy s LYS 110 Cb -0.14 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.23 3phy s LYS 110 CO -0.01 -0.06 1.61 -1.59 -0.36 0.00 0.00 175.35 174.93 3phy s LYS 111 N -3.37 3.06 -0.04 4.03 -2.85 -0.47 -1.43 119.74 118.67 3phy s LYS 111 Ca 0.04 -0.39 -0.35 0.00 -1.00 0.00 0.00 55.97 54.26 3phy s LYS 111 Cb 0.03 -4.83 -0.13 0.00 -2.06 0.00 0.00 37.83 30.84 3phy s LYS 111 CO -0.06 -2.58 1.73 0.00 0.10 0.00 0.00 175.35 174.54 3phy n ALA 112 N 10.96 0.63 0.36 0.59 0.00 0.34 -4.83 120.51 128.56 3phy n ALA 112 Ca 0.25 0.36 0.05 0.00 0.00 0.00 0.00 53.44 54.11 3phy n ALA 112 Cb 0.50 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.50 3phy n ALA 112 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3phy n LEU 113 N 5.23 0.36 -0.29 0.00 -0.00 -1.26 -2.33 117.00 118.71 3phy n LEU 113 Ca 0.21 -0.34 0.04 0.00 -0.00 0.00 0.00 56.01 55.92 3phy n LEU 113 Cb 0.25 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 43.86 3phy n LEU 113 CO 0.71 0.09 1.11 0.28 -0.00 0.00 0.00 177.39 179.58 3phy h SER 114 N 0.00 0.59 0.00 1.45 0.02 -1.88 -3.42 113.55 110.31 3phy h SER 114 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3phy h SER 114 Cb 0.35 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3phy h SER 114 CO 0.00 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 3phy n GLY 115 N -1.32 0.00 0.00 -3.77 0.00 -1.26 -5.09 105.19 93.75 3phy n GLY 115 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 1.61 8.00 -1.26 -5.14 116.55 119.76 3phy n ASP 116 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3phy n ASP 116 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3phy n SER 117 N 0.00 0.00 -4.16 -2.24 7.64 -0.98 -4.83 113.62 109.04 3phy n SER 117 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 3phy n SER 117 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.00 1.81 0.05 1.43 2.02 -0.93 0.13 117.35 121.86 3phy s TYR 118 Ca 0.00 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 3phy s TYR 118 Cb 0.00 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 3phy s TYR 118 CO 0.00 -0.15 -0.08 1.67 -1.57 0.00 0.00 175.55 175.42 3phy s TRP 119 N -0.07 0.72 -0.23 2.71 1.48 -0.51 0.56 118.94 123.60 3phy s TRP 119 Ca -0.02 -0.52 -0.04 0.00 -1.06 0.00 0.00 56.10 54.46 3phy s TRP 119 Cb -0.11 -0.43 0.08 0.00 -1.16 0.00 0.00 33.47 31.85 3phy s TRP 119 CO 0.02 -0.08 0.09 0.08 -4.06 0.00 0.00 176.95 173.01 3phy s VAL 120 N -1.52 0.14 0.05 -0.66 1.01 -0.59 -1.26 120.40 117.57 3phy s VAL 120 Ca -0.08 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 3phy s VAL 120 Cb -0.09 -0.92 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 3phy s VAL 120 CO 0.00 -0.47 0.59 -0.36 0.00 0.00 0.00 175.10 174.86 3phy s PHE 121 N 2.02 3.77 -0.29 5.22 0.08 0.39 -2.95 117.98 126.21 3phy s PHE 121 Ca 0.05 1.26 -0.05 0.00 0.12 0.00 0.00 56.93 58.31 3phy s PHE 121 Cb -0.16 -2.55 0.02 0.00 -0.57 0.00 0.00 43.02 39.75 3phy s PHE 121 CO -0.20 0.50 0.04 0.08 -0.10 0.00 0.00 175.22 175.53 3phy s VAL 122 N -0.77 3.58 0.26 -0.44 1.01 -0.39 -1.87 120.40 121.77 3phy s VAL 122 Ca 0.30 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 3phy s VAL 122 Cb -0.19 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 3phy s VAL 122 CO 0.19 0.08 0.88 -0.54 0.00 0.00 0.00 175.10 175.70 3phy s LYS 123 N 1.43 4.60 -0.15 2.72 3.01 -0.19 -1.86 119.74 129.30 3phy s LYS 123 Ca 0.01 1.27 -0.10 0.00 -1.01 0.00 0.00 55.97 56.14 3phy s LYS 123 Cb -0.17 -3.03 -0.05 0.00 -1.01 0.00 0.00 37.83 33.57 3phy s LYS 123 CO 0.00 0.42 0.18 0.50 0.51 0.00 0.00 175.35 176.96 3phy s ARG 124 N -1.63 3.91 0.00 1.68 3.52 -1.19 -0.85 118.95 124.38 3phy s ARG 124 Ca 0.44 -0.09 0.22 0.00 -0.13 0.00 0.00 55.73 56.17 3phy s ARG 124 Cb -0.21 -3.32 0.17 0.00 -1.56 0.00 0.00 34.95 30.03 3phy s ARG 124 CO 0.26 0.49 1.18 1.33 -0.81 0.00 0.00 175.30 177.76