#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 1.95 -1.57 3.17 2.02 -1.26 -4.82 118.70 118.19 3phy s GLU 2 Ca 0.00 -2.19 0.00 0.00 0.02 0.00 0.00 54.97 52.80 3phy s GLU 2 Cb 0.00 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.88 3phy s GLU 2 CO 0.00 -0.57 0.00 1.58 0.02 0.00 0.00 175.26 176.29 3phy n HIS 3 N -0.89 -0.87 -0.79 1.61 -0.00 -1.26 -4.76 115.22 108.26 3phy n HIS 3 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 3phy n HIS 3 Cb 0.64 -3.61 0.00 0.00 -0.12 0.00 0.00 29.99 26.90 3phy n HIS 3 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 3phy n VAL 4 N -4.01 0.00 0.00 3.57 3.14 -1.26 -4.42 118.33 115.35 3phy n VAL 4 Ca -0.22 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 3phy n VAL 4 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 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 0.95 0.00 -1.11 1.55 0.00 -1.26 -4.68 120.51 115.96 3phy n ALA 5 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3phy n ALA 5 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 1.07 0.00 0.00 1.16 -1.26 -4.32 117.46 114.11 3phy n PHE 6 Ca 0.00 -1.75 0.00 0.00 -1.87 0.00 0.00 57.45 53.83 3phy n PHE 6 Cb 0.00 -1.21 0.00 0.00 -1.61 0.00 0.00 39.48 36.66 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3phy n GLY 7 N 1.14 1.36 3.87 4.97 0.00 -1.26 -5.08 105.19 110.18 3phy n GLY 7 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 5.08 -0.87 1.61 1.04 -1.26 -5.01 113.70 112.29 3phy s SER 8 Ca 0.00 1.13 -0.00 0.00 0.48 0.00 0.00 55.95 57.56 3phy s SER 8 Cb 0.00 -1.87 0.25 0.00 0.10 0.00 0.00 66.02 64.50 3phy s SER 8 CO 0.00 -1.58 0.94 -0.62 0.98 0.00 0.00 173.24 172.97 3phy n GLU 9 N -3.16 3.05 -3.07 4.02 1.02 -1.26 -4.53 120.64 116.71 3phy n GLU 9 Ca 0.07 -4.55 -0.12 0.00 -0.02 0.00 0.00 57.16 52.53 3phy n GLU 9 Cb 0.57 -2.39 0.01 0.00 -0.02 0.00 0.00 31.44 29.61 3phy n GLU 9 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3phy n ASP 10 N 1.65 -7.01 -0.07 1.62 -0.08 -1.26 -4.76 116.55 106.64 3phy n ASP 10 Ca 0.25 0.55 -0.06 0.00 -1.51 0.00 0.00 54.79 54.02 3phy n ASP 10 Cb 0.37 -3.50 -0.02 0.00 2.34 0.00 0.00 41.12 40.31 3phy n ASP 10 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3phy n ILE 11 N 0.36 1.43 0.15 5.18 2.08 -1.26 -2.19 119.36 125.10 3phy n ILE 11 Ca 0.01 0.20 0.17 0.00 0.56 0.00 0.00 62.75 63.69 3phy n ILE 11 Cb 0.42 -2.37 0.58 0.00 -0.75 0.00 0.00 39.64 37.52 3phy n ILE 11 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 3phy h GLU 12 N -1.00 0.00 0.05 0.38 -0.00 -1.98 0.37 114.58 112.40 3phy h GLU 12 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 59.36 58.98 3phy h GLU 12 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.29 3phy h GLU 12 CO -0.01 0.00 -2.13 -1.71 -0.00 0.00 0.00 179.01 175.15 3phy n ASN 13 N -3.16 1.57 0.25 3.06 2.85 -1.26 -3.81 115.26 114.77 3phy n ASN 13 Ca 0.06 0.12 -0.11 0.00 -0.11 0.00 0.00 54.58 54.55 3phy n ASN 13 Cb 0.79 -0.34 -0.05 0.00 1.24 0.00 0.00 39.78 41.42 3phy n ASN 13 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3phy h THR 14 N 0.03 0.03 -1.50 -0.44 2.02 -0.04 -2.82 112.91 110.19 3phy h THR 14 Ca -0.46 -0.49 0.49 0.00 0.77 0.00 0.00 66.41 66.72 3phy h THR 14 Cb 2.02 0.04 -0.12 0.00 -1.74 0.00 0.00 68.15 68.35 3phy h THR 14 CO 0.03 0.01 1.00 -0.07 0.37 0.00 0.00 175.52 176.85 3phy h LEU 15 N -1.18 0.16 0.29 2.58 3.38 -0.68 0.20 115.31 120.07 3phy h LEU 15 Ca -0.07 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3phy h LEU 15 Cb 0.55 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3phy h LEU 15 CO 0.12 -0.18 -0.14 0.00 0.09 0.00 0.00 178.44 178.33 3phy h ALA 16 N 1.47 -0.39 -2.55 1.53 0.00 -1.63 -3.42 119.26 114.28 3phy h ALA 16 Ca 0.88 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 55.01 3phy h ALA 16 Cb 2.98 0.15 -0.39 0.00 0.00 0.00 0.00 17.79 20.53 3phy h ALA 16 CO -0.35 -0.46 -0.88 0.21 0.00 0.00 0.00 179.25 177.77 3phy s LYS 17 N -3.83 0.79 0.05 0.00 2.47 0.59 -5.12 119.74 114.70 3phy s LYS 17 Ca -0.12 -1.73 0.01 0.00 -1.56 0.00 0.00 55.97 52.56 3phy s LYS 17 Cb 0.01 -1.49 0.01 0.00 -1.46 0.00 0.00 37.83 34.90 3phy s LYS 17 CO 0.44 -1.28 0.04 0.00 0.16 0.00 0.00 175.35 174.72 3phy n MET 18 N 3.49 1.37 -0.42 4.03 0.00 -0.56 -4.76 117.12 120.26 3phy n MET 18 Ca 0.19 -0.33 -0.06 0.00 0.00 0.00 0.00 57.70 57.50 3phy n MET 18 Cb 0.41 0.03 0.09 0.00 0.00 0.00 0.00 33.22 33.75 3phy n MET 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3phy n ASP 19 N -2.09 3.14 -2.55 3.17 8.00 -1.26 -4.92 116.55 120.03 3phy n ASP 19 Ca -0.00 -2.53 -0.04 0.00 0.71 0.00 0.00 54.79 52.93 3phy n ASP 19 Cb 0.06 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.51 3phy n ASP 19 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3phy n ASP 20 N -0.02 -2.02 0.00 -2.24 2.03 -1.26 -4.70 116.55 108.34 3phy n ASP 20 Ca 0.19 1.29 0.00 0.00 0.52 0.00 0.00 54.79 56.79 3phy n ASP 20 Cb 0.85 -5.04 0.00 0.00 -0.72 0.00 0.00 41.12 36.21 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 1.39 1.27 0.09 0.27 0.00 -1.26 -4.98 105.19 101.97 3phy n GLY 21 Ca -0.31 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.18 0.94 0.25 1.61 6.02 -1.26 -3.79 117.38 119.96 3phy n GLN 22 Ca 0.00 -0.02 0.15 0.00 -0.01 0.00 0.00 57.00 57.13 3phy n GLN 22 Cb 0.00 -1.48 0.51 0.00 1.02 0.00 0.00 30.24 30.30 3phy n GLN 22 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 177.06 177.42 3phy h LEU 23 N 0.00 0.00 -1.81 1.08 -0.00 -1.93 -2.85 115.31 109.79 3phy h LEU 23 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 3phy h LEU 23 Cb 2.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.75 3phy h LEU 23 CO 0.03 0.00 0.00 -0.90 -0.00 0.00 0.00 178.44 177.57 3phy n ASP 24 N -3.01 2.72 -2.12 0.17 5.68 -1.26 -4.37 116.55 114.37 3phy n ASP 24 Ca 0.02 -1.85 -0.20 0.00 -0.50 0.00 0.00 54.79 52.25 3phy n ASP 24 Cb 0.37 -0.01 0.20 0.00 -1.14 0.00 0.00 41.12 40.54 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3phy n GLY 25 N 1.15 4.42 2.79 6.12 0.00 -1.07 -3.68 105.19 114.91 3phy n GLY 25 Ca 0.12 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 3phy n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3phy n LEU 26 N -1.02 0.00 -1.06 0.99 4.77 -1.26 -5.01 117.00 114.41 3phy n LEU 26 Ca 0.55 -1.95 0.12 0.00 -0.03 0.00 0.00 56.01 54.70 3phy n LEU 26 Cb 1.59 -0.16 0.23 0.00 -2.33 0.00 0.00 43.42 42.75 3phy n LEU 26 CO 0.55 -0.57 0.71 0.00 -1.33 0.00 0.00 177.39 176.76 3phy n ALA 27 N -2.33 2.44 -3.67 -1.18 0.00 -1.26 -4.73 120.51 109.78 3phy n ALA 27 Ca -0.11 -0.90 -0.19 0.00 0.00 0.00 0.00 53.44 52.24 3phy n ALA 27 Cb 0.44 -0.90 -0.16 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.59 0.55 0.04 0.00 -0.71 -1.26 -3.30 117.98 111.71 3phy s PHE 28 Ca 0.37 -0.11 -0.30 0.00 -1.04 0.00 0.00 56.93 55.85 3phy s PHE 28 Cb 0.22 -0.55 -0.08 0.00 -1.21 0.00 0.00 43.02 41.39 3phy s PHE 28 CO 0.31 -0.17 1.77 0.20 -1.34 0.00 0.00 175.22 175.99 3phy s GLY 29 N 1.01 1.49 -0.64 1.99 0.00 -0.99 -4.66 107.32 105.52 3phy s GLY 29 Ca -0.10 1.21 -0.14 0.00 0.00 0.00 0.00 44.72 45.69 3phy s GLY 29 CO -0.01 3.12 0.58 0.00 0.00 0.00 0.00 173.10 176.79 3phy s ALA 30 N 3.49 3.78 0.07 3.20 0.00 -0.76 -1.88 121.76 129.65 3phy s ALA 30 Ca 0.79 -2.83 -0.03 0.00 0.00 0.00 0.00 51.96 49.89 3phy s ALA 30 Cb -0.40 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3phy s ALA 30 CO 0.35 -2.10 0.27 0.96 0.00 0.00 0.00 175.76 175.23 3phy s ILE 31 N 1.04 5.31 0.37 0.00 -5.25 -1.15 -3.99 121.20 117.54 3phy s ILE 31 Ca 0.09 -0.15 0.08 0.00 -0.99 0.00 0.00 60.65 59.67 3phy s ILE 31 Cb -0.23 -3.61 -0.05 0.00 2.95 0.00 0.00 42.46 41.53 3phy s ILE 31 CO -0.02 0.16 0.13 -1.10 -1.79 0.00 0.00 174.94 172.33 3phy s GLN 32 N -2.39 2.24 -0.21 0.37 -1.52 -0.65 -1.36 119.66 116.14 3phy s GLN 32 Ca 0.35 -1.73 -0.19 0.00 -1.95 0.00 0.00 55.36 51.84 3phy s GLN 32 Cb -0.13 -2.04 0.05 0.00 -0.22 0.00 0.00 33.01 30.68 3phy s GLN 32 CO 0.24 0.01 0.56 -0.51 -0.25 0.00 0.00 175.29 175.34 3phy s LEU 33 N -3.85 -0.13 -0.08 2.90 1.43 0.11 -2.87 118.68 116.19 3phy s LEU 33 Ca 0.39 1.12 0.05 0.00 -1.03 0.00 0.00 54.13 54.65 3phy s LEU 33 Cb 0.01 1.91 -0.00 0.00 0.03 0.00 0.00 46.19 48.14 3phy s LEU 33 CO 0.22 -0.19 -0.24 -0.62 0.23 0.00 0.00 176.35 175.75 3phy s ASP 34 N 0.31 3.01 0.00 2.29 2.15 -0.69 -2.20 116.67 121.53 3phy s ASP 34 Ca -0.00 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.45 3phy s ASP 34 Cb -0.04 -1.20 0.00 0.00 -0.30 0.00 0.00 42.92 41.38 3phy s ASP 34 CO 0.01 0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 3phy n GLY 35 N 3.35 0.00 0.00 2.66 0.00 -1.26 -0.70 105.19 109.24 3phy n GLY 35 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.42 3phy n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 0.29 0.48 3.74 0.44 0.00 0.12 -4.94 105.19 105.33 3phy n GLY 37 Ca 0.12 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.65 7.10 0.27 1.61 -0.87 -1.15 -2.64 114.94 116.60 3phy s ASN 38 Ca 0.00 2.28 -0.30 0.00 -1.57 0.00 0.00 52.86 53.27 3phy s ASN 38 Cb 0.00 -2.61 -0.10 0.00 -0.02 0.00 0.00 41.25 38.51 3phy s ASN 38 CO 0.00 -0.34 1.46 -0.51 -2.57 0.00 0.00 177.10 175.14 3phy s ILE 39 N -0.34 2.54 -0.14 0.60 1.10 -1.15 -1.71 121.20 122.10 3phy s ILE 39 Ca 0.51 0.46 0.13 0.00 -0.51 0.00 0.00 60.65 61.24 3phy s ILE 39 Cb -0.33 -3.29 -0.18 0.00 0.15 0.00 0.00 42.46 38.80 3phy s ILE 39 CO 0.39 0.08 0.07 0.18 -2.11 0.00 0.00 174.94 173.54 3phy n LEU 40 N 2.12 0.00 -3.60 8.50 4.77 -1.14 -4.16 117.00 123.49 3phy n LEU 40 Ca 0.06 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3phy n LEU 40 Cb 0.40 0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 3phy n LEU 40 CO 0.61 0.34 0.57 -1.58 -1.33 0.00 0.00 177.39 176.00 3phy s GLN 41 N -2.40 1.23 0.00 3.23 -0.44 -1.26 -4.94 119.66 115.08 3phy s GLN 41 Ca -0.07 -0.56 0.00 0.00 -2.50 0.00 0.00 55.36 52.23 3phy s GLN 41 Cb 0.05 0.49 0.00 0.00 -1.64 0.00 0.00 33.01 31.91 3phy s GLN 41 CO 0.60 -0.55 0.00 0.98 0.50 0.00 0.00 175.29 176.82 3phy n TYR 42 N -0.38 0.00 0.00 1.67 9.36 -1.26 -1.64 117.16 124.92 3phy n TYR 42 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 3phy n TYR 42 Cb 0.62 0.14 0.00 0.00 -0.63 0.00 0.00 39.34 39.46 3phy n TYR 42 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3phy n ASN 43 N -1.61 0.00 -0.01 2.98 2.85 -1.26 -1.83 115.26 116.39 3phy n ASN 43 Ca 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.40 3phy n ASN 43 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 3phy n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3phy h ALA 44 N 0.00 -0.10 -0.70 5.20 0.00 -1.85 -3.21 119.26 118.59 3phy h ALA 44 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.79 3phy h ALA 44 Cb 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 3phy h ALA 44 CO 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 179.25 178.77 3phy n ALA 45 N -2.68 -0.30 -0.08 0.00 0.00 -1.24 0.22 120.51 116.43 3phy n ALA 45 Ca -0.05 0.64 -0.11 0.00 0.00 0.00 0.00 53.44 53.92 3phy n ALA 45 Cb 0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 3phy n ALA 45 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3phy h GLU 46 N 0.00 0.38 0.00 0.00 4.11 -1.89 -1.59 114.58 115.59 3phy h GLU 46 Ca 0.17 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.51 3phy h GLU 46 Cb 0.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3phy h GLU 46 CO -0.67 0.47 0.00 0.41 0.07 0.00 0.00 179.01 179.29 3phy n GLY 47 N -0.59 -0.79 0.10 1.06 0.00 0.13 -1.84 105.19 103.26 3phy n GLY 47 Ca -0.03 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 0.13 0.51 1.61 3.58 0.53 0.39 116.42 123.17 3phy h ASP 48 Ca 0.00 -0.27 -0.29 0.00 0.42 0.00 0.00 57.03 56.88 3phy h ASP 48 Cb 0.08 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3phy h ASP 48 CO 0.00 1.24 -1.47 0.40 -2.88 0.00 0.00 179.24 176.54 3phy h ILE 49 N 0.02 1.22 0.00 2.25 5.03 -1.20 -3.37 117.51 121.47 3phy h ILE 49 Ca -0.30 -2.87 -0.03 0.00 -0.12 0.00 0.00 64.86 61.54 3phy h ILE 49 Cb 2.01 2.78 -0.01 0.00 -3.03 0.00 0.00 36.82 38.57 3phy h ILE 49 CO 0.09 0.82 -1.67 1.07 -0.68 0.00 0.00 178.15 177.78 3phy n THR 50 N -3.44 0.13 -0.07 -0.27 5.66 -0.77 -4.97 114.28 110.55 3phy n THR 50 Ca -0.14 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 3phy n THR 50 Cb 1.03 0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 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 1.78 0.47 3.55 1.09 0.00 0.13 -5.00 105.19 107.22 3phy n GLY 51 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.90 2.46 0.78 1.61 0.52 -1.10 -4.85 118.95 117.47 3phy s ARG 52 Ca 0.00 0.32 -0.11 0.00 -0.52 0.00 0.00 55.73 55.42 3phy s ARG 52 Cb 0.00 -4.71 0.06 0.00 0.52 0.00 0.00 34.95 30.83 3phy s ARG 52 CO 0.00 -3.18 1.08 -0.51 0.02 0.00 0.00 175.30 172.71 3phy s ASP 53 N 8.69 4.52 0.19 0.23 1.01 -1.26 -3.32 116.67 126.74 3phy s ASP 53 Ca 0.73 1.56 0.09 0.00 0.71 0.00 0.00 52.55 55.65 3phy s ASP 53 Cb -0.11 -2.32 0.04 0.00 1.01 0.00 0.00 42.92 41.55 3phy s ASP 53 CO 0.12 -1.99 1.43 1.55 0.21 0.00 0.00 175.17 176.49 3phy h PRO 54 N -1.10 0.00 0.10 8.23 0.13 -1.93 -2.33 132.00 135.11 3phy h PRO 54 Ca -0.46 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 3phy h PRO 54 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3phy h PRO 54 CO 0.55 0.81 -1.24 0.87 -0.23 0.00 0.00 178.00 178.76 3phy h LYS 55 N 0.00 0.21 0.01 0.86 1.79 -1.96 -2.97 116.57 114.51 3phy h LYS 55 Ca -0.01 -0.36 -0.22 0.00 -2.18 0.00 0.00 60.65 57.88 3phy h LYS 55 Cb 1.47 0.13 0.02 0.00 -1.58 0.00 0.00 32.23 32.27 3phy h LYS 55 CO 0.11 1.15 -0.88 0.37 -1.08 0.00 0.00 179.45 179.11 3phy h GLN 56 N 0.06 0.58 0.00 3.15 -0.00 -1.95 -3.04 115.11 113.91 3phy h GLN 56 Ca -0.13 -0.64 0.00 0.00 -0.00 0.00 0.00 58.65 57.88 3phy h GLN 56 Cb 1.94 0.18 0.00 0.00 0.00 0.00 0.00 27.48 29.60 3phy h GLN 56 CO 0.18 1.25 0.00 1.33 0.00 0.00 0.00 178.83 181.59 3phy n VAL 57 N -4.00 0.26 -2.14 2.39 0.24 -0.88 -4.58 118.33 109.63 3phy n VAL 57 Ca -0.11 0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.83 3phy n VAL 57 Cb 0.81 -0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.45 3.61 0.00 1.34 1.01 -1.12 -1.55 121.20 122.04 3phy s ILE 58 Ca 0.23 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.82 3phy s ILE 58 Cb 0.15 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3phy s ILE 58 CO 0.32 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3phy n GLY 59 N 3.81 3.18 3.73 6.18 0.00 -1.26 -5.02 105.19 115.81 3phy n GLY 59 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 4.57 -0.17 1.61 -0.14 -0.59 -4.77 119.74 119.61 3phy s LYS 60 Ca 0.00 1.23 -0.29 0.00 -1.36 0.00 0.00 55.97 55.55 3phy s LYS 60 Cb 0.00 -3.39 -0.01 0.00 -1.68 0.00 0.00 37.83 32.75 3phy s LYS 60 CO 0.00 0.20 1.28 1.21 -0.76 0.00 0.00 175.35 177.28 3phy s ASN 61 N 0.15 6.92 0.00 2.83 3.84 -1.26 -2.95 114.94 124.47 3phy s ASN 61 Ca 0.43 1.69 0.09 0.00 0.21 0.00 0.00 52.86 55.28 3phy s ASN 61 Cb -0.21 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.36 3phy s ASN 61 CO 0.26 -0.78 1.27 0.33 -2.79 0.00 0.00 177.10 175.38 3phy n PHE 62 N 6.68 0.00 -0.08 0.43 7.35 -1.08 -0.26 117.46 130.50 3phy n PHE 62 Ca 0.14 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.76 3phy n PHE 62 Cb 0.45 -0.44 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 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 -1.44 0.29 -1.05 -5.13 3.72 -1.26 -3.41 117.46 109.16 3phy n PHE 63 Ca 0.03 0.13 0.08 0.00 -0.05 0.00 0.00 57.45 57.63 3phy n PHE 63 Cb 0.10 -0.58 0.23 0.00 -0.94 0.00 0.00 39.48 38.29 3phy n PHE 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3phy n LYS 64 N -4.47 2.50 0.00 -1.08 5.02 -1.24 -4.00 118.16 114.90 3phy n LYS 64 Ca -0.12 -2.83 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 3phy n LYS 64 Cb 0.43 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3phy n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3phy n ASP 65 N -0.75 0.37 0.00 4.39 9.92 0.15 -4.93 116.55 125.70 3phy n ASP 65 Ca 0.21 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 3phy n ASP 65 Cb 0.86 0.15 0.00 0.00 -0.64 0.00 0.00 41.12 41.49 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 -0.19 0.00 -4.01 2.53 0.31 0.65 -4.68 118.33 112.94 3phy n VAL 66 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3phy n VAL 66 Cb 0.00 -1.19 -0.15 0.00 -0.91 0.00 0.00 33.84 31.59 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 -1.98 2.29 -2.00 3.52 0.00 -1.22 -4.98 121.76 117.39 3phy s ALA 67 Ca 0.00 -1.58 0.22 0.00 0.00 0.00 0.00 51.96 50.61 3phy s ALA 67 Cb 0.00 -1.52 1.33 0.00 0.00 0.00 0.00 23.12 22.94 3phy s ALA 67 CO 0.00 -1.20 1.73 -0.35 0.00 0.00 0.00 175.76 175.94 3phy n PRO 68 N 4.54 0.76 -0.04 0.00 -0.04 -1.26 -2.94 135.00 136.02 3phy n PRO 68 Ca -0.13 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.34 3phy n PRO 68 Cb 0.43 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.54 0.26 -1.43 0.00 -2.24 -1.15 -3.68 114.28 103.49 3phy n THR 70 Ca -0.17 0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 3phy n THR 70 Cb 0.85 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.20 6.37 -4.37 3.42 5.68 -1.26 -0.82 116.55 124.37 3phy n ASP 71 Ca 0.12 -3.05 -0.26 0.00 -0.50 0.00 0.00 54.79 51.10 3phy n ASP 71 Cb 0.14 -1.28 -0.09 0.00 -1.14 0.00 0.00 41.12 38.75 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 2.93 0.00 -1.12 0.01 -1.24 -4.92 113.70 110.06 3phy s SER 72 Ca 0.60 -1.55 0.26 0.00 1.31 0.00 0.00 55.95 56.58 3phy s SER 72 Cb 0.36 0.25 1.53 0.00 0.21 0.00 0.00 66.02 68.36 3phy s SER 72 CO -0.17 -0.78 1.93 -0.81 0.41 0.00 0.00 173.24 173.82 3phy n PRO 73 N -0.90 0.73 -0.06 12.44 -0.04 -1.26 -0.17 135.00 145.73 3phy n PRO 73 Ca -0.07 0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 3phy n PRO 73 Cb 0.66 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 3phy n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3phy n GLU 74 N -1.07 1.40 0.00 0.54 4.71 -1.26 -3.42 120.64 121.54 3phy n GLU 74 Ca 0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 3phy n GLU 74 Cb 0.12 -1.38 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3phy n PHE 75 N -2.47 0.00 0.41 -0.32 -0.00 -1.19 -4.12 117.46 109.77 3phy n PHE 75 Ca -0.21 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.37 3phy n PHE 75 Cb 0.89 0.00 0.49 0.00 -0.00 0.00 0.00 39.48 40.86 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 0.00 0.00 0.58 -5.13 3.20 -0.28 -2.98 116.97 112.36 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 0.00 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.28 3phy h TYR 76 CO 0.00 0.00 -0.28 0.78 -1.64 0.00 0.00 178.16 177.02 3phy h GLY 77 N 2.84 -0.81 2.00 1.82 0.00 -0.65 -0.18 103.07 108.09 3phy h GLY 77 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3phy h GLY 77 CO 0.00 -0.30 0.00 0.28 0.00 0.00 0.00 176.54 176.52 3phy n LYS 78 N -4.57 0.17 0.12 4.80 4.76 -1.22 -1.54 118.16 120.68 3phy n LYS 78 Ca -0.10 0.56 -0.24 0.00 -2.87 0.00 0.00 58.31 55.66 3phy n LYS 78 Cb 0.31 -1.94 -0.16 0.00 -1.84 0.00 0.00 35.03 31.40 3phy n LYS 78 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3phy h PHE 79 N 0.00 0.86 0.00 2.13 3.04 -1.34 -0.69 116.94 120.94 3phy h PHE 79 Ca 0.00 -0.63 0.00 0.00 3.98 0.00 0.00 57.97 61.32 3phy h PHE 79 Cb 0.15 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.63 3phy h PHE 79 CO 0.00 1.52 0.00 1.63 -2.02 0.00 0.00 178.31 179.44 3phy n LYS 80 N -3.81 0.05 -0.07 1.11 4.76 -0.10 -1.48 118.16 118.61 3phy n LYS 80 Ca -0.17 0.10 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 3phy n LYS 80 Cb 1.03 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 32.60 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 -1.47 0.70 -0.18 1.97 -0.58 -0.73 -3.23 120.64 117.12 3phy n GLU 81 Ca 0.06 0.20 -0.10 0.00 -0.42 0.00 0.00 57.16 56.91 3phy n GLU 81 Cb 0.25 -1.60 0.01 0.00 -0.57 0.00 0.00 31.44 29.53 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 1.58 0.98 1.04 0.62 0.00 -1.02 0.67 103.07 106.93 3phy h GLY 82 Ca -0.52 -0.71 -0.04 0.00 0.00 0.00 0.00 47.33 46.06 3phy h GLY 82 CO -0.02 0.65 0.33 -2.08 0.00 0.00 0.00 176.54 175.42 3phy h VAL 83 N 0.78 1.25 -0.10 4.60 2.07 -1.43 -2.07 116.25 121.36 3phy h VAL 83 Ca 0.15 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3phy h VAL 83 Cb 0.51 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3phy h VAL 83 CO 0.02 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.93 3phy n ALA 84 N -2.41 2.50 -0.04 1.67 0.00 -1.05 -4.17 120.51 117.01 3phy n ALA 84 Ca 0.07 -0.64 0.02 0.00 0.00 0.00 0.00 53.44 52.89 3phy n ALA 84 Cb 0.17 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 3phy n ALA 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3phy n SER 85 N 0.86 1.17 0.00 0.00 3.41 0.23 -4.99 113.62 114.30 3phy n SER 85 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3phy n SER 85 Cb 0.49 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 3phy n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3phy n GLY 86 N 1.75 0.68 2.72 5.00 0.00 -0.81 -4.96 105.19 109.58 3phy n GLY 86 Ca -0.12 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 3phy n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3phy n ASN 87 N 1.20 -2.21 -4.56 1.61 0.23 -1.19 -5.08 115.26 105.26 3phy n ASN 87 Ca 0.00 -3.33 -0.39 0.00 -0.53 0.00 0.00 54.58 50.33 3phy n ASN 87 Cb 0.04 1.67 -0.03 0.00 -2.08 0.00 0.00 39.78 39.37 3phy n ASN 87 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3phy s LEU 88 N -2.53 3.37 -0.47 -4.53 0.20 -1.21 -4.80 118.68 108.70 3phy s LEU 88 Ca 0.22 0.81 0.06 0.00 0.69 0.00 0.00 54.13 55.90 3phy s LEU 88 Cb 0.32 -2.76 0.19 0.00 -0.43 0.00 0.00 46.19 43.51 3phy s LEU 88 CO -0.06 -2.37 0.74 0.21 -0.29 0.00 0.00 176.35 174.57 3phy s ASN 89 N 8.87 -1.36 0.27 3.68 2.47 -1.26 0.11 114.94 127.72 3phy s ASN 89 Ca 0.80 -1.34 0.03 0.00 0.42 0.00 0.00 52.86 52.77 3phy s ASN 89 Cb -0.17 1.77 -0.04 0.00 -1.45 0.00 0.00 41.25 41.36 3phy s ASN 89 CO 0.25 -0.08 0.20 0.28 -3.72 0.00 0.00 177.10 174.04 3phy s THR 90 N 1.17 0.02 0.22 -5.21 -1.32 -0.84 -5.00 115.64 104.68 3phy s THR 90 Ca 0.25 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 58.62 3phy s THR 90 Cb -0.00 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.48 3phy s THR 90 CO -0.06 0.00 0.40 0.00 -2.21 0.00 0.00 174.62 172.75 3phy s MET 91 N -3.81 1.42 -0.21 7.08 0.23 -1.26 -1.61 119.30 121.15 3phy s MET 91 Ca 0.40 -1.26 -0.32 0.00 -1.03 0.00 0.00 55.69 53.48 3phy s MET 91 Cb 0.05 0.43 0.15 0.00 -1.53 0.00 0.00 34.83 33.93 3phy s MET 91 CO 0.20 -0.57 1.19 -0.59 -2.03 0.00 0.00 175.02 173.22 3phy s PHE 92 N -4.02 -0.17 -0.30 3.16 -0.12 -1.15 -4.99 117.98 110.39 3phy s PHE 92 Ca 0.23 0.22 -0.29 0.00 -0.05 0.00 0.00 56.93 57.04 3phy s PHE 92 Cb 0.01 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3phy s PHE 92 CO 0.07 -0.20 1.05 -1.21 -0.05 0.00 0.00 175.22 174.88 3phy s GLU 93 N -1.67 4.10 0.36 1.99 2.02 -1.26 -1.86 118.70 122.37 3phy s GLU 93 Ca 0.06 1.09 0.06 0.00 0.02 0.00 0.00 54.97 56.20 3phy s GLU 93 Cb -0.01 -3.72 -0.07 0.00 0.10 0.00 0.00 34.13 30.43 3phy s GLU 93 CO -0.04 -0.83 0.02 -0.47 0.02 0.00 0.00 175.26 173.95 3phy s TYR 94 N 3.52 2.22 -0.15 1.61 5.04 -0.95 -4.99 117.35 123.65 3phy s TYR 94 Ca 0.44 -0.79 -0.05 0.00 -2.44 0.00 0.00 57.07 54.24 3phy s TYR 94 Cb -0.13 -1.49 0.06 0.00 0.35 0.00 0.00 41.96 40.75 3phy s TYR 94 CO 0.13 0.25 0.09 0.99 -1.34 0.00 0.00 175.55 175.67 3phy s THR 95 N -2.99 -0.10 -1.15 4.34 2.01 -1.26 -2.20 115.64 114.29 3phy s THR 95 Ca 0.35 -0.08 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 3phy s THR 95 Cb 0.09 -0.52 0.06 0.00 0.01 0.00 0.00 72.50 72.13 3phy s THR 95 CO 0.16 -0.22 1.61 -0.36 -0.69 0.00 0.00 174.62 175.12 3phy s PHE 96 N 2.15 2.63 -0.40 4.92 0.08 -0.21 -4.71 117.98 122.43 3phy s PHE 96 Ca 0.03 -1.17 0.06 0.00 0.12 0.00 0.00 56.93 55.96 3phy s PHE 96 Cb -0.15 -4.71 0.64 0.00 -0.57 0.00 0.00 43.02 38.23 3phy s PHE 96 CO -0.08 -1.86 1.81 -0.25 -0.10 0.00 0.00 175.22 174.73 3phy n ASP 97 N 8.84 3.54 -4.82 1.36 9.92 -1.26 -2.94 116.55 131.19 3phy n ASP 97 Ca 0.41 -3.62 -0.33 0.00 -0.53 0.00 0.00 54.79 50.73 3phy n ASP 97 Cb 0.48 -0.79 -0.03 0.00 -0.64 0.00 0.00 41.12 40.15 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3phy s TYR 98 N -3.26 3.23 0.00 1.24 1.13 -1.26 -4.43 117.35 113.99 3phy s TYR 98 Ca 0.54 1.51 0.00 0.00 -1.41 0.00 0.00 57.07 57.71 3phy s TYR 98 Cb 0.46 -2.90 0.00 0.00 -1.10 0.00 0.00 41.96 38.42 3phy s TYR 98 CO 0.09 -0.62 0.00 1.04 -2.51 0.00 0.00 175.55 173.54 3phy n GLN 99 N -1.52 0.00 -2.31 -3.49 6.02 -1.26 -4.47 117.38 110.36 3phy n GLN 99 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3phy n GLN 99 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 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 -2.54 -1.09 1.56 -1.26 -5.14 117.12 108.65 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 0.08 0.00 2.15 0.00 0.00 33.22 35.45 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 -3.26 2.33 -1.04 1.12 -4.23 -1.26 -4.97 115.64 104.33 3phy s THR 101 Ca 0.00 -0.56 -0.23 0.00 -1.18 0.00 0.00 61.69 59.72 3phy s THR 101 Cb 0.00 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 71.09 3phy s THR 101 CO 0.00 0.00 1.65 -2.16 -0.54 0.00 0.00 174.62 173.57 3phy s PRO 102 N -5.05 3.31 -0.52 3.99 0.04 -1.26 -4.38 135.00 131.14 3phy s PRO 102 Ca 0.63 -1.05 -0.23 0.00 0.04 0.00 0.00 61.00 60.38 3phy s PRO 102 Cb -0.08 -5.30 0.04 0.00 0.04 0.00 0.00 34.50 29.20 3phy s PRO 102 CO 0.43 -2.64 0.87 0.99 0.04 0.00 0.00 177.00 176.69 3phy s THR 103 N 6.58 4.50 0.13 1.26 2.01 -1.15 -4.95 115.64 124.01 3phy s THR 103 Ca 0.55 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.57 3phy s THR 103 Cb -0.01 -4.46 -0.07 0.00 0.01 0.00 0.00 72.50 67.96 3phy s THR 103 CO -0.03 -0.98 0.73 -0.75 -0.69 0.00 0.00 174.62 172.89 3phy s LYS 104 N 3.66 4.47 -0.06 4.92 2.47 -1.26 -1.04 119.74 132.90 3phy s LYS 104 Ca 0.29 1.05 -0.14 0.00 -1.56 0.00 0.00 55.97 55.60 3phy s LYS 104 Cb -0.13 -3.27 0.03 0.00 -1.46 0.00 0.00 37.83 33.00 3phy s LYS 104 CO 0.20 0.55 0.34 0.14 0.16 0.00 0.00 175.35 176.74 3phy s VAL 105 N -1.01 0.03 -0.33 4.02 -7.23 -0.93 -1.36 120.40 113.59 3phy s VAL 105 Ca 0.34 -0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 60.09 3phy s VAL 105 Cb -0.22 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 3phy s VAL 105 CO 0.24 -0.15 0.31 -1.59 -0.31 0.00 0.00 175.10 173.60 3phy s LYS 106 N -0.74 3.58 0.51 4.82 0.00 -0.66 -2.25 119.74 125.00 3phy s LYS 106 Ca -0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 55.97 55.36 3phy s LYS 106 Cb -0.04 -3.79 -0.04 0.00 0.00 0.00 0.00 37.83 33.96 3phy s LYS 106 CO 0.03 -0.47 0.83 0.14 0.00 0.00 0.00 175.35 175.88 3phy s VAL 107 N 1.90 4.87 -0.31 1.79 -7.23 -0.78 -1.96 120.40 118.69 3phy s VAL 107 Ca 0.10 0.32 0.05 0.00 -1.81 0.00 0.00 61.98 60.64 3phy s VAL 107 Cb -0.17 -3.87 0.18 0.00 0.56 0.00 0.00 36.38 33.09 3phy s VAL 107 CO 0.11 -0.90 0.53 -2.28 -0.31 0.00 0.00 175.10 172.25 3phy s HIS 108 N -2.82 -1.53 0.08 2.82 5.04 -0.48 -2.95 115.29 115.45 3phy s HIS 108 Ca 0.49 0.68 0.05 0.00 -1.54 0.00 0.00 55.06 54.73 3phy s HIS 108 Cb -0.10 0.15 -0.04 0.00 0.04 0.00 0.00 32.58 32.62 3phy s HIS 108 CO 0.46 -1.07 -0.01 -1.64 -2.34 0.00 0.00 174.74 170.15 3phy s MET 109 N 2.57 2.53 0.17 2.88 1.00 -0.63 -1.64 119.30 126.18 3phy s MET 109 Ca 0.11 -0.83 0.03 0.00 0.00 0.00 0.00 55.69 55.00 3phy s MET 109 Cb -0.10 -2.53 -0.01 0.00 0.00 0.00 0.00 34.83 32.18 3phy s MET 109 CO -0.24 0.55 0.16 1.17 0.00 0.00 0.00 175.02 176.65 3phy n LYS 110 N 0.67 0.23 -2.93 2.03 0.00 0.05 -1.98 118.16 116.23 3phy n LYS 110 Ca -0.11 -1.69 -0.43 0.00 0.00 0.00 0.00 58.31 56.07 3phy n LYS 110 Cb 0.52 1.42 -0.04 0.00 0.00 0.00 0.00 35.03 36.92 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 -2.66 3.14 0.84 1.64 2.20 0.30 -1.78 119.74 123.41 3phy s LYS 111 Ca 0.20 -0.81 -0.13 0.00 -0.36 0.00 0.00 55.97 54.86 3phy s LYS 111 Cb 0.01 -4.19 0.06 0.00 -1.51 0.00 0.00 37.83 32.20 3phy s LYS 111 CO 0.14 -1.63 0.91 0.00 -0.36 0.00 0.00 175.35 174.41 3phy n ALA 112 N 7.24 -0.93 -1.29 3.13 0.00 -0.04 -1.95 120.51 126.67 3phy n ALA 112 Ca -0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 3phy n ALA 112 Cb 0.45 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.48 -0.30 -1.77 0.00 0.00 -1.26 -1.84 117.00 109.34 3phy n LEU 113 Ca 0.11 0.24 -0.16 0.00 0.00 0.00 0.00 56.01 56.20 3phy n LEU 113 Cb 0.51 -2.46 -0.05 0.00 0.00 0.00 0.00 43.42 41.43 3phy n LEU 113 CO 0.49 -0.94 -0.17 -0.24 0.00 0.00 0.00 177.39 176.53 3phy n SER 114 N -0.95 -4.46 0.00 1.96 2.88 -0.82 -4.45 113.62 107.77 3phy n SER 114 Ca -0.10 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 3phy n SER 114 Cb 0.53 -3.95 0.00 0.00 -0.75 0.00 0.00 64.21 60.04 3phy n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3phy n GLY 115 N -0.49 -0.02 0.00 0.46 0.00 -0.77 -5.07 105.19 99.30 3phy n GLY 115 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3phy n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3phy n ASP 116 N 0.00 0.00 -1.71 1.61 2.03 -1.09 -5.05 116.55 112.34 3phy n ASP 116 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3phy n ASP 116 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3phy n SER 117 N 0.00 0.86 -3.70 1.67 7.64 -0.96 -4.74 113.62 114.39 3phy n SER 117 Ca 0.00 -0.86 -0.11 0.00 1.01 0.00 0.00 58.87 58.91 3phy n SER 117 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.35 -0.54 0.09 1.43 2.02 -0.94 -0.86 117.35 118.90 3phy s TYR 118 Ca 0.00 1.15 0.08 0.00 -0.37 0.00 0.00 57.07 57.93 3phy s TYR 118 Cb 0.00 0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.71 3phy s TYR 118 CO 0.00 -0.33 -0.22 1.67 -1.57 0.00 0.00 175.55 175.09 3phy s TRP 119 N 1.64 1.91 -0.25 2.71 1.48 -0.74 -0.72 118.94 124.98 3phy s TRP 119 Ca -0.07 -0.40 0.02 0.00 -1.06 0.00 0.00 56.10 54.59 3phy s TRP 119 Cb -0.10 -1.08 0.06 0.00 -1.16 0.00 0.00 33.47 31.20 3phy s TRP 119 CO -0.11 0.19 -0.07 0.08 -4.06 0.00 0.00 176.95 172.98 3phy s VAL 120 N -1.02 1.84 -0.14 -0.66 1.01 -0.46 -0.77 120.40 120.18 3phy s VAL 120 Ca 0.08 -1.45 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 3phy s VAL 120 Cb -0.10 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3phy s VAL 120 CO 0.04 -0.10 0.65 -0.36 0.00 0.00 0.00 175.10 175.33 3phy s PHE 121 N 1.25 3.46 -0.32 5.22 0.08 -0.65 -3.10 117.98 123.91 3phy s PHE 121 Ca -0.06 1.06 -0.10 0.00 0.12 0.00 0.00 56.93 57.94 3phy s PHE 121 Cb -0.19 -2.79 -0.00 0.00 -0.57 0.00 0.00 43.02 39.46 3phy s PHE 121 CO -0.06 -0.05 0.17 0.08 -0.10 0.00 0.00 175.22 175.26 3phy s VAL 122 N 1.42 4.67 -0.41 -0.44 1.01 -0.79 -1.39 120.40 124.47 3phy s VAL 122 Ca 0.32 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 3phy s VAL 122 Cb -0.16 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.81 3phy s VAL 122 CO 0.13 0.01 0.72 -0.75 0.00 0.00 0.00 175.10 175.21 3phy s LYS 123 N 1.62 3.50 -0.34 2.72 2.47 -0.83 -2.35 119.74 126.53 3phy s LYS 123 Ca 0.04 -0.06 -0.28 0.00 -1.56 0.00 0.00 55.97 54.11 3phy s LYS 123 Cb -0.17 -3.89 -0.02 0.00 -1.46 0.00 0.00 37.83 32.28 3phy s LYS 123 CO 0.07 -0.97 1.87 1.03 0.16 0.00 0.00 175.35 177.51 3phy s ARG 124 N 3.03 3.24 0.00 4.03 0.52 -1.21 -1.65 118.95 126.92 3phy s ARG 124 Ca 0.27 1.45 0.32 0.00 -0.52 0.00 0.00 55.73 57.26 3phy s ARG 124 Cb -0.13 -4.24 1.86 0.00 0.52 0.00 0.00 34.95 32.96 3phy s ARG 124 CO 0.19 -1.97 2.20 0.28 0.02 0.00 0.00 175.30 176.02