#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 1.62 -3.91 3.17 -0.58 -1.26 -5.06 120.64 114.62 3phy n GLU 2 Ca 0.00 -3.81 -0.35 0.00 -0.42 0.00 0.00 57.16 52.58 3phy n GLU 2 Cb 0.00 -1.85 -0.14 0.00 -0.57 0.00 0.00 31.44 28.88 3phy n GLU 2 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3phy s HIS 3 N -2.67 2.96 -0.32 -0.32 3.76 -1.26 -4.96 115.29 112.48 3phy s HIS 3 Ca 0.42 -0.96 0.02 0.00 -0.15 0.00 0.00 55.06 54.40 3phy s HIS 3 Cb 0.32 -2.11 0.31 0.00 1.11 0.00 0.00 32.58 32.22 3phy s HIS 3 CO -0.10 -0.55 1.36 1.55 -0.85 0.00 0.00 174.74 176.15 3phy n VAL 4 N 4.79 0.00 -4.89 -0.90 3.14 -1.26 -5.08 118.33 114.13 3phy n VAL 4 Ca -0.18 -0.65 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 3phy n VAL 4 Cb 0.51 1.07 0.00 0.00 -1.06 0.00 0.00 33.84 34.36 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 0.77 0.00 -0.74 1.55 0.00 -1.26 -0.65 120.51 120.18 3phy n ALA 5 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 3phy n ALA 5 Cb 0.75 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.31 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 5.45 2.28 0.00 0.00 -1.74 -1.26 -4.58 117.46 117.62 3phy n PHE 6 Ca 0.00 -1.71 0.00 0.00 -0.56 0.00 0.00 57.45 55.18 3phy n PHE 6 Cb 0.00 -0.86 0.00 0.00 1.52 0.00 0.00 39.48 40.14 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 -0.62 1.47 3.44 4.97 0.00 -0.51 -4.97 105.19 108.98 3phy n GLY 7 Ca 0.44 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 6.22 -1.19 1.61 0.01 0.18 -4.98 113.70 113.55 3phy s SER 8 Ca 0.00 -0.95 -0.22 0.00 1.31 0.00 0.00 55.95 56.09 3phy s SER 8 Cb 0.00 -2.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.86 3phy s SER 8 CO 0.00 -0.97 1.90 -1.61 0.41 0.00 0.00 173.24 172.97 3phy s GLU 9 N 2.79 2.73 -1.13 12.44 8.01 -1.26 -4.25 118.70 138.02 3phy s GLU 9 Ca 0.16 -1.27 -0.25 0.00 0.01 0.00 0.00 54.97 53.62 3phy s GLU 9 Cb -0.19 -5.29 0.02 0.00 -4.31 0.00 0.00 34.13 24.36 3phy s GLU 9 CO 0.12 -3.70 0.73 -0.25 0.01 0.00 0.00 175.26 172.17 3phy n ASP 10 N 13.43 -4.84 0.30 -0.19 8.00 -1.26 -4.77 116.55 127.21 3phy n ASP 10 Ca 0.45 -1.11 -0.12 0.00 0.71 0.00 0.00 54.79 54.72 3phy n ASP 10 Cb 0.46 -2.51 -0.06 0.00 -0.02 0.00 0.00 41.12 38.99 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 -2.02 0.00 -1.47 0.53 1.08 -1.97 -2.14 117.51 111.51 3phy h ILE 11 Ca -0.67 -0.12 0.47 0.00 -0.39 0.00 0.00 64.86 64.15 3phy h ILE 11 Cb 1.37 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 35.02 3phy h ILE 11 CO 0.48 0.00 1.00 -1.84 -0.69 0.00 0.00 178.15 177.10 3phy n GLU 12 N -4.43 -0.02 0.04 2.37 0.28 -1.26 0.13 120.64 117.75 3phy n GLU 12 Ca -0.10 1.07 -0.20 0.00 -0.16 0.00 0.00 57.16 57.77 3phy n GLU 12 Cb 0.31 -2.24 -0.14 0.00 1.43 0.00 0.00 31.44 30.80 3phy n GLU 12 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 3phy h ASN 13 N 0.00 0.43 0.46 -1.84 2.35 -1.89 -2.94 115.58 112.15 3phy h ASN 13 Ca 0.82 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3phy h ASN 13 Cb 2.91 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 41.14 3phy h ASN 13 CO -0.25 1.41 0.00 0.41 -1.65 0.00 0.00 177.43 177.35 3phy n THR 14 N -4.12 0.90 0.00 2.81 -1.04 0.35 -2.02 114.28 111.16 3phy n THR 14 Ca -0.16 0.23 0.07 0.00 -2.04 0.00 0.00 64.05 62.15 3phy n THR 14 Cb 0.82 -0.97 -0.13 0.00 -1.82 0.00 0.00 70.33 68.22 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 -1.45 0.22 -0.03 -4.42 4.77 0.15 -3.90 117.00 112.34 3phy n LEU 15 Ca 0.04 0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 3phy n LEU 15 Cb 0.16 0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.17 3phy n LEU 15 CO 0.13 0.05 -0.74 0.00 -1.33 0.00 0.00 177.39 175.50 3phy n ALA 16 N -2.33 1.27 -2.17 -1.18 0.00 -0.94 -4.28 120.51 110.88 3phy n ALA 16 Ca -0.08 -0.78 -0.34 0.00 0.00 0.00 0.00 53.44 52.25 3phy n ALA 16 Cb 0.67 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3phy n ALA 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3phy n LYS 17 N -3.19 3.08 -4.21 0.00 4.81 -0.86 -4.95 118.16 112.84 3phy n LYS 17 Ca -0.26 -3.99 -0.21 0.00 -0.87 0.00 0.00 58.31 52.99 3phy n LYS 17 Cb 1.06 -2.26 -0.16 0.00 0.02 0.00 0.00 35.03 33.68 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3phy s MET 18 N -3.82 0.95 0.00 1.64 1.75 -1.25 -4.92 119.30 113.65 3phy s MET 18 Ca 0.50 -0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.80 3phy s MET 18 Cb 0.42 -0.93 0.00 0.00 2.84 0.00 0.00 34.83 37.16 3phy s MET 18 CO -0.30 -0.07 0.86 -0.25 -0.65 0.00 0.00 175.02 174.61 3phy n ASP 19 N 4.06 0.00 0.00 1.11 8.00 -1.26 -4.94 116.55 123.52 3phy n ASP 19 Ca -0.24 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.15 3phy n ASP 19 Cb 0.51 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3phy n ASP 19 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3phy n ASP 20 N -1.75 0.00 -3.09 -2.24 8.00 -1.26 -4.97 116.55 111.24 3phy n ASP 20 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 3phy n ASP 20 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.06 5.69 0.13 0.44 0.00 -1.26 -4.41 105.19 104.73 3phy n GLY 21 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 46.02 43.50 3phy n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3phy n GLN 22 N -0.42 0.00 -0.00 1.61 7.27 -1.26 -4.69 117.38 119.88 3phy n GLN 22 Ca 0.52 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.72 3phy n GLN 22 Cb 0.25 -0.87 0.49 0.00 2.41 0.00 0.00 30.24 32.52 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 -2.42 1.60 0.00 1.69 -0.00 -1.26 -3.96 117.00 112.64 3phy n LEU 23 Ca 0.00 -0.54 0.07 0.00 -0.00 0.00 0.00 56.01 55.54 3phy n LEU 23 Cb 0.43 -0.01 0.37 0.00 -0.00 0.00 0.00 43.42 44.22 3phy n LEU 23 CO 0.00 0.27 0.72 -0.67 -0.00 0.00 0.00 177.39 177.71 3phy n ASP 24 N 0.25 0.00 -2.15 1.45 2.03 -1.26 -2.64 116.55 114.23 3phy n ASP 24 Ca 0.19 0.14 -0.24 0.00 0.52 0.00 0.00 54.79 55.40 3phy n ASP 24 Cb 0.37 -0.32 0.14 0.00 -0.72 0.00 0.00 41.12 40.59 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3phy n GLY 25 N 0.02 4.56 3.79 0.27 0.00 -1.25 -4.29 105.19 108.29 3phy n GLY 25 Ca 0.07 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.11 3.83 -0.26 0.99 1.43 -1.08 -4.99 118.68 115.49 3phy s LEU 26 Ca 0.54 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 3phy s LEU 26 Cb 0.44 -2.48 0.58 0.00 0.03 0.00 0.00 46.19 44.75 3phy s LEU 26 CO 0.08 0.14 1.57 0.00 0.23 0.00 0.00 176.35 178.37 3phy n ALA 27 N 0.21 4.18 -3.64 4.21 0.00 -1.26 -4.70 120.51 119.51 3phy n ALA 27 Ca -0.08 -1.82 -0.02 0.00 0.00 0.00 0.00 53.44 51.52 3phy n ALA 27 Cb 0.52 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.43 -1.28 0.77 0.00 -0.71 -1.26 -3.31 117.98 109.76 3phy s PHE 28 Ca 0.43 2.28 -0.15 0.00 -1.04 0.00 0.00 56.93 58.45 3phy s PHE 28 Cb 0.34 0.77 0.05 0.00 -1.21 0.00 0.00 43.02 42.97 3phy s PHE 28 CO 0.10 -0.63 1.13 0.41 -1.34 0.00 0.00 175.22 174.89 3phy n GLY 29 N 5.20 -0.10 2.73 1.99 0.00 -0.80 -4.69 105.19 109.52 3phy n GLY 29 Ca -0.14 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.96 2.62 0.21 4.61 0.00 -1.20 -2.11 121.76 123.93 3phy s ALA 30 Ca 0.74 -3.01 -0.19 0.00 0.00 0.00 0.00 51.96 49.50 3phy s ALA 30 Cb -0.31 -1.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.78 3phy s ALA 30 CO 0.50 -2.05 0.70 0.96 0.00 0.00 0.00 175.76 175.87 3phy s ILE 31 N -0.31 4.60 0.26 0.00 -5.25 -0.89 -4.13 121.20 115.48 3phy s ILE 31 Ca 0.23 1.25 0.10 0.00 -0.99 0.00 0.00 60.65 61.23 3phy s ILE 31 Cb -0.13 -3.86 -0.04 0.00 2.95 0.00 0.00 42.46 41.38 3phy s ILE 31 CO -0.09 0.24 -0.04 -1.10 -1.79 0.00 0.00 174.94 172.16 3phy s GLN 32 N -1.91 2.18 -0.03 0.37 -1.52 -0.12 -1.35 119.66 117.29 3phy s GLN 32 Ca 0.42 -1.46 -0.18 0.00 -1.95 0.00 0.00 55.36 52.18 3phy s GLN 32 Cb -0.17 -2.10 0.03 0.00 -0.22 0.00 0.00 33.01 30.56 3phy s GLN 32 CO 0.21 0.37 0.39 -0.51 -0.25 0.00 0.00 175.29 175.49 3phy s LEU 33 N -3.57 0.52 -0.08 2.90 1.43 0.20 -1.76 118.68 118.31 3phy s LEU 33 Ca 0.31 0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3phy s LEU 33 Cb -0.06 1.54 0.02 0.00 0.03 0.00 0.00 46.19 47.72 3phy s LEU 33 CO 0.19 -0.47 -0.06 1.51 0.23 0.00 0.00 176.35 177.75 3phy s ASP 34 N -1.26 1.72 0.00 2.29 -4.77 -0.86 -2.31 116.67 111.48 3phy s ASP 34 Ca -0.13 -0.21 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 3phy s ASP 34 Cb -0.04 -0.65 0.00 0.00 -1.09 0.00 0.00 42.92 41.14 3phy s ASP 34 CO 0.05 -0.11 0.00 0.61 0.70 0.00 0.00 175.17 176.43 3phy n GLY 35 N 4.66 0.04 0.00 2.12 0.00 -1.26 -1.28 105.19 109.47 3phy n GLY 35 Ca -0.15 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 0.13 0.00 0.00 1.61 9.92 -1.26 -4.80 116.55 122.15 3phy n ASP 36 Ca 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 3phy n ASP 36 Cb 0.00 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 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 -0.06 0.77 3.72 0.44 0.00 -0.40 -4.91 105.19 104.75 3phy n GLY 37 Ca 0.07 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.63 7.38 0.29 1.61 -0.87 -1.20 -2.74 114.94 116.78 3phy s ASN 38 Ca 0.00 1.83 -0.30 0.00 -1.57 0.00 0.00 52.86 52.82 3phy s ASN 38 Cb 0.00 -2.59 -0.12 0.00 -0.02 0.00 0.00 41.25 38.52 3phy s ASN 38 CO 0.00 -0.19 1.44 0.00 -2.57 0.00 0.00 177.10 175.79 3phy n ILE 39 N 3.14 1.28 -0.02 0.60 0.13 -1.19 -2.03 119.36 121.27 3phy n ILE 39 Ca 0.04 -0.32 0.01 0.00 -1.10 0.00 0.00 62.75 61.38 3phy n ILE 39 Cb 0.49 -1.68 -0.08 0.00 -0.84 0.00 0.00 39.64 37.53 3phy n ILE 39 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3phy n LEU 40 N 1.74 0.00 -3.24 9.51 4.77 -0.72 -4.28 117.00 124.77 3phy n LEU 40 Ca 0.08 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 3phy n LEU 40 Cb 0.35 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3phy n LEU 40 CO 0.63 0.10 0.52 -1.58 -1.33 0.00 0.00 177.39 175.73 3phy s GLN 41 N -2.50 0.29 -0.04 3.23 -0.44 -1.26 -4.89 119.66 114.05 3phy s GLN 41 Ca -0.04 0.60 -0.04 0.00 -2.50 0.00 0.00 55.36 53.38 3phy s GLN 41 Cb 0.05 0.35 -0.01 0.00 -1.64 0.00 0.00 33.01 31.75 3phy s GLN 41 CO 0.41 -0.24 -0.08 0.98 0.50 0.00 0.00 175.29 176.86 3phy n TYR 42 N 5.29 0.03 0.00 1.67 9.36 -1.26 -0.94 117.16 131.31 3phy n TYR 42 Ca -0.07 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3phy n TYR 42 Cb 0.53 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 39.09 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 -2.93 0.00 -0.03 2.98 6.94 -1.26 -3.26 115.26 117.69 3phy n ASN 43 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 3phy n ASN 43 Cb 0.11 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.39 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 0.60 2.09 0.08 -2.53 0.00 -1.26 -4.17 120.51 115.32 3phy n ALA 44 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 3phy n ALA 44 Cb 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 1.48 -0.83 0.29 0.00 0.00 -1.84 0.32 119.26 118.69 3phy h ALA 45 Ca -0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3phy h ALA 45 Cb 1.61 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 3phy h ALA 45 CO 0.02 -0.90 -0.23 1.05 0.00 0.00 0.00 179.25 179.19 3phy h GLU 46 N -0.45 -0.52 0.00 0.00 4.11 -1.87 -0.38 114.58 115.47 3phy h GLU 46 Ca -0.01 0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3phy h GLU 46 Cb 0.44 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3phy h GLU 46 CO -0.15 -0.35 0.08 0.41 0.07 0.00 0.00 179.01 179.07 3phy n GLY 47 N -1.36 -0.80 0.19 1.06 0.00 -1.15 -0.95 105.19 102.18 3phy n GLY 47 Ca -0.09 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 0.82 0.00 1.61 3.58 0.14 0.39 116.42 122.96 3phy h ASP 48 Ca 0.00 -0.66 -0.02 0.00 0.42 0.00 0.00 57.03 56.77 3phy h ASP 48 Cb 0.15 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 3phy h ASP 48 CO 0.00 1.46 -0.21 0.40 -2.88 0.00 0.00 179.24 178.01 3phy h ILE 49 N 0.35 0.51 0.00 2.25 5.03 -0.92 -3.36 117.51 121.37 3phy h ILE 49 Ca -0.12 -1.43 -0.07 0.00 -0.12 0.00 0.00 64.86 63.12 3phy h ILE 49 Cb 1.68 1.01 -0.01 0.00 -3.03 0.00 0.00 36.82 36.47 3phy h ILE 49 CO 0.20 0.17 -0.34 0.71 -0.68 0.00 0.00 178.15 178.21 3phy h THR 50 N -1.00 0.68 0.00 -0.27 1.35 -1.43 -3.47 112.91 108.78 3phy h THR 50 Ca -0.03 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 3phy h THR 50 Cb 0.45 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3phy h THR 50 CO -0.02 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 3phy n GLY 51 N 0.62 2.23 3.53 5.82 0.00 0.14 -4.97 105.19 112.55 3phy n GLY 51 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 0.37 -0.93 1.61 1.74 -1.18 -4.81 116.66 111.45 3phy n ARG 52 Ca 0.00 -0.27 -0.31 0.00 -0.77 0.00 0.00 57.85 56.50 3phy n ARG 52 Cb 0.00 -2.41 0.14 0.00 -1.02 0.00 0.00 32.46 29.17 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 7.45 3.44 -0.09 0.55 1.01 -1.26 -3.83 116.67 123.94 3phy s ASP 53 Ca 1.14 1.97 -0.08 0.00 0.71 0.00 0.00 52.55 56.29 3phy s ASP 53 Cb -0.57 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 40.79 3phy s ASP 53 CO 0.34 -2.74 0.27 1.55 0.21 0.00 0.00 175.17 174.80 3phy h PRO 54 N -1.61 -0.09 0.00 8.23 0.13 -1.90 -1.91 132.00 134.85 3phy h PRO 54 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3phy h PRO 54 Cb 1.26 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3phy h PRO 54 CO 0.47 0.12 0.00 0.87 -0.23 0.00 0.00 178.00 179.22 3phy h LYS 55 N -1.01 0.00 0.13 0.86 1.57 -1.96 -1.35 116.57 114.80 3phy h LYS 55 Ca -0.01 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.44 3phy h LYS 55 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3phy h LYS 55 CO 0.02 0.00 -1.78 0.37 -0.57 0.00 0.00 179.45 177.49 3phy h GLN 56 N 0.00 0.26 0.00 3.15 4.15 -1.95 -3.31 115.11 117.41 3phy h GLN 56 Ca 0.00 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 58.97 3phy h GLN 56 Cb 0.13 0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3phy h GLN 56 CO 0.00 1.22 0.00 1.33 -1.93 0.00 0.00 178.83 179.45 3phy n VAL 57 N -3.68 0.00 -2.22 2.39 0.24 -0.72 -4.64 118.33 109.71 3phy n VAL 57 Ca -0.29 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.58 3phy n VAL 57 Cb 0.99 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.00 3.86 0.00 1.34 1.01 -0.54 -1.70 121.20 123.17 3phy s ILE 58 Ca 0.43 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.20 3phy s ILE 58 Cb 0.20 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3phy s ILE 58 CO 0.33 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3phy n GLY 59 N 3.79 2.38 3.74 6.18 0.00 -1.26 -5.00 105.19 115.02 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 -0.57 4.75 -0.58 1.61 -0.14 -0.69 -4.75 119.74 119.37 3phy s LYS 60 Ca 0.00 1.51 -0.28 0.00 -1.36 0.00 0.00 55.97 55.84 3phy s LYS 60 Cb 0.00 -3.32 0.01 0.00 -1.68 0.00 0.00 37.83 32.84 3phy s LYS 60 CO 0.00 0.32 1.45 -0.80 -0.76 0.00 0.00 175.35 175.56 3phy s ASN 61 N -0.51 6.04 0.44 2.83 0.02 -1.26 -3.14 114.94 119.36 3phy s ASN 61 Ca 0.45 0.22 0.30 0.00 -1.02 0.00 0.00 52.86 52.80 3phy s ASN 61 Cb -0.25 -2.55 1.62 0.00 0.02 0.00 0.00 41.25 40.09 3phy s ASN 61 CO 0.32 -1.80 1.91 0.15 0.02 0.00 0.00 177.10 177.70 3phy h PHE 62 N 11.37 0.00 -0.38 2.20 3.57 -1.87 0.28 116.94 132.12 3phy h PHE 62 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3phy h PHE 62 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3phy h PHE 62 CO 1.05 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 178.32 3phy n PHE 63 N -2.55 0.89 0.01 0.41 3.72 -1.26 -3.12 117.46 115.56 3phy n PHE 63 Ca -0.02 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 3phy n PHE 63 Cb 0.05 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.42 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 0.54 0.00 0.00 -1.08 3.00 -0.67 -4.07 118.16 115.89 3phy n LYS 64 Ca 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.54 3phy n LYS 64 Cb 0.58 0.00 0.41 0.00 0.00 0.00 0.00 35.03 36.02 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 -2.33 0.00 0.08 3.14 9.92 0.91 -4.16 116.55 124.10 3phy n ASP 65 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 3phy n ASP 65 Cb 0.00 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.14 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3phy n VAL 66 N -1.34 0.83 -3.67 2.53 0.31 -0.92 -4.78 118.33 111.29 3phy n VAL 66 Ca 0.07 0.27 -0.39 0.00 -0.01 0.00 0.00 64.34 64.28 3phy n VAL 66 Cb 0.15 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 31.74 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 -2.00 3.22 -2.00 3.52 0.00 -1.18 -4.94 121.76 118.38 3phy s ALA 67 Ca 0.00 -2.22 0.07 0.00 0.00 0.00 0.00 51.96 49.81 3phy s ALA 67 Cb 0.00 -2.54 0.41 0.00 0.00 0.00 0.00 23.12 20.99 3phy s ALA 67 CO 0.00 -1.66 1.09 -0.35 0.00 0.00 0.00 175.76 174.83 3phy n PRO 68 N 4.82 0.79 -0.01 0.00 -0.04 -1.26 -3.01 135.00 136.29 3phy n PRO 68 Ca -0.09 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 3phy n PRO 68 Cb 0.42 -1.14 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.95 0.07 -1.64 0.00 -2.24 -1.16 -3.99 114.28 103.36 3phy n THR 70 Ca -0.03 0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 3phy n THR 70 Cb 0.35 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.13 7.24 -4.47 3.42 5.68 -1.26 -1.67 116.55 124.36 3phy n ASP 71 Ca 0.17 -3.05 -0.28 0.00 -0.50 0.00 0.00 54.79 51.13 3phy n ASP 71 Cb 0.15 -1.33 -0.09 0.00 -1.14 0.00 0.00 41.12 38.70 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 0.68 3.31 0.00 -1.12 0.01 -1.26 -4.91 113.70 110.41 3phy s SER 72 Ca 0.59 -1.56 0.28 0.00 1.31 0.00 0.00 55.95 56.56 3phy s SER 72 Cb 0.27 0.25 1.55 0.00 0.21 0.00 0.00 66.02 68.30 3phy s SER 72 CO -0.13 -0.77 1.97 -0.81 0.41 0.00 0.00 173.24 173.92 3phy n PRO 73 N -0.99 0.69 -0.04 12.44 -0.04 -1.26 -0.39 135.00 145.41 3phy n PRO 73 Ca -0.09 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.37 3phy n PRO 73 Cb 0.66 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.11 1.32 0.00 0.54 1.02 -1.26 -3.76 120.64 117.39 3phy n GLU 74 Ca 0.18 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3phy n GLU 74 Cb 0.14 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.24 0.00 0.34 -0.32 -0.00 -1.20 -4.12 117.46 109.92 3phy n PHE 75 Ca -0.12 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.47 3phy n PHE 75 Cb 0.66 0.00 0.58 0.00 -0.00 0.00 0.00 39.48 40.72 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 0.76 -5.13 3.20 -0.44 -2.95 116.97 112.40 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 0.00 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 -0.36 0.78 -1.64 0.00 0.00 178.16 176.94 3phy h GLY 77 N 2.26 -1.06 2.00 1.82 0.00 -0.81 0.09 103.07 107.37 3phy h GLY 77 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3phy h GLY 77 CO 0.00 -0.39 0.00 0.50 0.00 0.00 0.00 176.54 176.65 3phy h LYS 78 N -1.15 0.00 0.19 4.80 1.79 -1.65 -0.93 116.57 119.61 3phy h LYS 78 Ca -0.10 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.06 3phy h LYS 78 Cb 0.78 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.46 3phy h LYS 78 CO 0.17 0.00 -1.36 0.35 -1.08 0.00 0.00 179.45 177.53 3phy h PHE 79 N 0.00 0.82 0.00 -1.35 3.04 -1.28 -0.90 116.94 117.27 3phy h PHE 79 Ca 0.00 -0.58 0.00 0.00 3.98 0.00 0.00 57.97 61.37 3phy h PHE 79 Cb 0.13 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.61 3phy h PHE 79 CO 0.00 1.45 0.00 1.63 -2.02 0.00 0.00 178.31 179.37 3phy n LYS 80 N -3.67 0.11 -0.07 1.11 4.76 -0.02 -1.58 118.16 118.81 3phy n LYS 80 Ca -0.13 0.05 -0.20 0.00 -2.87 0.00 0.00 58.31 55.16 3phy n LYS 80 Cb 1.06 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 32.62 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 -1.44 0.70 -0.15 1.97 1.02 -0.77 -3.40 120.64 118.56 3phy n GLU 81 Ca 0.08 0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 57.31 3phy n GLU 81 Cb 0.27 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3phy h GLY 82 N 1.55 0.99 1.01 0.62 0.00 -1.11 0.25 103.07 106.39 3phy h GLY 82 Ca -0.51 -0.85 0.01 0.00 0.00 0.00 0.00 47.33 45.98 3phy h GLY 82 CO -0.01 0.78 0.62 -2.08 0.00 0.00 0.00 176.54 175.84 3phy h VAL 83 N 0.76 1.24 -0.01 4.60 2.07 -1.46 -0.84 116.25 122.60 3phy h VAL 83 Ca 0.11 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3phy h VAL 83 Cb 0.72 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3phy h VAL 83 CO 0.05 0.23 -0.23 0.00 0.02 0.00 0.00 177.57 177.64 3phy n ALA 84 N -2.36 3.02 0.08 1.67 0.00 -1.06 -3.85 120.51 118.02 3phy n ALA 84 Ca 0.10 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.28 3phy n ALA 84 Cb 0.01 -1.17 -0.16 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.72 0.14 -0.05 0.00 3.41 0.86 -4.97 113.62 112.28 3phy n SER 85 Ca 0.12 -0.09 -0.01 0.00 -0.26 0.00 0.00 58.87 58.63 3phy n SER 85 Cb 0.34 1.90 -0.00 0.00 -0.26 0.00 0.00 64.21 66.18 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 1.29 0.46 2.63 5.00 0.00 -0.40 -4.91 105.19 109.26 3phy n GLY 86 Ca -0.03 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 1.17 -1.56 -4.60 1.61 4.13 -1.19 -5.08 115.26 109.75 3phy n ASN 87 Ca -0.01 -3.34 -0.46 0.00 1.68 0.00 0.00 54.58 52.45 3phy n ASN 87 Cb 0.03 1.24 -0.04 0.00 -1.54 0.00 0.00 39.78 39.46 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3phy n LEU 88 N 0.17 3.17 -2.91 3.41 0.00 -1.24 -4.86 117.00 114.75 3phy n LEU 88 Ca 0.08 0.56 -0.02 0.00 0.00 0.00 0.00 56.01 56.63 3phy n LEU 88 Cb 0.72 -1.43 0.00 0.00 0.00 0.00 0.00 43.42 42.71 3phy n LEU 88 CO 0.06 -0.40 0.14 0.21 0.00 0.00 0.00 177.39 177.39 3phy s ASN 89 N 6.41 -1.39 0.26 1.96 2.47 -1.26 -0.28 114.94 123.11 3phy s ASN 89 Ca 0.99 -1.29 0.02 0.00 0.42 0.00 0.00 52.86 53.01 3phy s ASN 89 Cb -0.57 1.81 -0.04 0.00 -1.45 0.00 0.00 41.25 41.00 3phy s ASN 89 CO 0.44 -0.09 0.18 0.28 -3.72 0.00 0.00 177.10 174.20 3phy s THR 90 N 1.25 0.05 0.29 -5.21 -1.32 -0.85 -5.02 115.64 104.83 3phy s THR 90 Ca 0.24 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.54 3phy s THR 90 Cb -0.01 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 3phy s THR 90 CO -0.06 0.00 0.67 0.00 -2.21 0.00 0.00 174.62 173.02 3phy s MET 91 N -3.86 1.81 0.00 7.08 0.23 -1.26 -1.63 119.30 121.66 3phy s MET 91 Ca 0.39 -1.13 0.00 0.00 -1.03 0.00 0.00 55.69 53.92 3phy s MET 91 Cb 0.05 0.58 0.00 0.00 -1.53 0.00 0.00 34.83 33.93 3phy s MET 91 CO 0.18 -0.82 0.00 1.97 -2.03 0.00 0.00 175.02 174.33 3phy n PHE 92 N -0.46 0.00 -2.96 3.16 1.16 -1.19 -4.99 117.46 112.19 3phy n PHE 92 Ca -0.04 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.11 3phy n PHE 92 Cb 0.60 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.41 3phy n PHE 92 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 3phy s GLU 93 N -2.00 3.42 0.54 3.97 2.12 -1.26 -1.84 118.70 123.64 3phy s GLU 93 Ca 0.00 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.29 3phy s GLU 93 Cb 0.00 -3.94 0.03 0.00 0.26 0.00 0.00 34.13 30.48 3phy s GLU 93 CO 0.00 -1.12 0.30 -0.47 -0.54 0.00 0.00 175.26 173.43 3phy s TYR 94 N 3.30 1.68 -0.20 5.30 5.04 -1.04 -5.01 117.35 126.42 3phy s TYR 94 Ca 0.30 -0.87 -0.04 0.00 -2.44 0.00 0.00 57.07 54.02 3phy s TYR 94 Cb -0.12 -1.84 0.08 0.00 0.35 0.00 0.00 41.96 40.43 3phy s TYR 94 CO 0.23 -0.30 0.14 0.99 -1.34 0.00 0.00 175.55 175.28 3phy s THR 95 N -2.80 -0.17 -0.22 4.34 2.01 -1.26 -2.98 115.64 114.56 3phy s THR 95 Ca 0.26 -0.25 -0.23 0.00 0.31 0.00 0.00 61.69 61.78 3phy s THR 95 Cb -0.01 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.80 3phy s THR 95 CO 0.16 -0.34 0.75 -0.36 -0.69 0.00 0.00 174.62 174.15 3phy s PHE 96 N 2.20 3.34 -0.37 4.92 0.08 -0.78 -4.85 117.98 122.52 3phy s PHE 96 Ca 0.05 1.06 0.12 0.00 0.12 0.00 0.00 56.93 58.28 3phy s PHE 96 Cb -0.16 -2.96 0.41 0.00 -0.57 0.00 0.00 43.02 39.75 3phy s PHE 96 CO -0.15 -0.31 1.26 -3.47 -0.10 0.00 0.00 175.22 172.44 3phy n ASP 97 N 5.63 -0.90 -4.80 1.36 -0.08 -1.26 0.16 116.55 116.66 3phy n ASP 97 Ca 0.03 -2.49 -0.35 0.00 -1.51 0.00 0.00 54.79 50.47 3phy n ASP 97 Cb 0.48 0.55 -0.06 0.00 2.34 0.00 0.00 41.12 44.43 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3phy s TYR 98 N -0.79 3.37 0.00 -0.67 -0.85 -1.26 -4.43 117.35 112.71 3phy s TYR 98 Ca 0.22 1.66 0.00 0.00 -0.52 0.00 0.00 57.07 58.43 3phy s TYR 98 Cb 0.42 -2.92 0.00 0.00 0.38 0.00 0.00 41.96 39.83 3phy s TYR 98 CO -0.06 -0.16 0.00 0.94 -1.52 0.00 0.00 175.55 174.75 3phy n GLN 99 N -0.30 -0.03 0.00 -3.49 7.27 -1.26 -4.42 117.38 115.15 3phy n GLN 99 Ca 0.06 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3phy n GLN 99 Cb 0.52 0.03 0.00 0.00 2.41 0.00 0.00 30.24 33.20 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3phy n MET 100 N -0.07 0.00 -2.90 3.69 1.56 -1.26 -5.16 117.12 112.98 3phy n MET 100 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.24 3phy n MET 100 Cb 0.00 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.39 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 -4.00 2.99 0.56 1.12 -4.23 -1.26 -5.00 115.64 105.81 3phy s THR 101 Ca 0.00 -0.86 -0.16 0.00 -1.18 0.00 0.00 61.69 59.50 3phy s THR 101 Cb 0.00 -3.05 -0.06 0.00 1.34 0.00 0.00 72.50 70.74 3phy s THR 101 CO 0.00 -0.02 1.02 -2.16 -0.54 0.00 0.00 174.62 172.91 3phy s PRO 102 N -4.50 3.67 -0.34 3.99 0.04 -1.26 -4.31 135.00 132.30 3phy s PRO 102 Ca 0.55 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.63 3phy s PRO 102 Cb -0.10 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.50 3phy s PRO 102 CO 0.35 -0.51 0.37 0.99 0.04 0.00 0.00 177.00 178.24 3phy s THR 103 N -2.63 -0.44 0.37 1.26 2.01 0.12 -4.94 115.64 111.39 3phy s THR 103 Ca 0.60 -0.68 -0.27 0.00 0.31 0.00 0.00 61.69 61.66 3phy s THR 103 Cb -0.12 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.51 3phy s THR 103 CO 0.36 -0.47 1.20 -1.59 -0.69 0.00 0.00 174.62 173.43 3phy s LYS 104 N 1.91 4.18 -0.18 4.92 -2.85 -1.26 -1.86 119.74 124.61 3phy s LYS 104 Ca 0.13 1.94 -0.21 0.00 -1.00 0.00 0.00 55.97 56.83 3phy s LYS 104 Cb -0.14 -2.83 0.06 0.00 -2.06 0.00 0.00 37.83 32.86 3phy s LYS 104 CO -0.17 -0.24 0.57 0.14 0.10 0.00 0.00 175.35 175.76 3phy s VAL 105 N -1.31 0.00 -0.40 1.79 -7.23 -1.16 -1.77 120.40 110.32 3phy s VAL 105 Ca 0.54 -0.04 -0.18 0.00 -1.81 0.00 0.00 61.98 60.49 3phy s VAL 105 Cb -0.33 -0.82 0.01 0.00 0.56 0.00 0.00 36.38 35.80 3phy s VAL 105 CO 0.43 -0.02 0.49 -1.59 -0.31 0.00 0.00 175.10 174.10 3phy s LYS 106 N -0.03 3.30 0.54 4.82 -2.85 -0.36 -2.51 119.74 122.66 3phy s LYS 106 Ca -0.03 -0.51 -0.06 0.00 -1.00 0.00 0.00 55.97 54.37 3phy s LYS 106 Cb -0.04 -3.91 -0.01 0.00 -2.06 0.00 0.00 37.83 31.81 3phy s LYS 106 CO 0.02 -0.81 0.86 0.14 0.10 0.00 0.00 175.35 175.66 3phy s VAL 107 N 2.33 4.28 -0.29 1.79 -7.23 -0.77 -2.12 120.40 118.40 3phy s VAL 107 Ca 0.16 0.15 0.04 0.00 -1.81 0.00 0.00 61.98 60.52 3phy s VAL 107 Cb -0.16 -3.66 0.20 0.00 0.56 0.00 0.00 36.38 33.31 3phy s VAL 107 CO 0.15 -0.68 0.61 -2.28 -0.31 0.00 0.00 175.10 172.58 3phy s HIS 108 N -2.89 -1.77 0.07 2.82 5.04 -0.38 -3.16 115.29 115.02 3phy s HIS 108 Ca 0.51 1.18 0.06 0.00 -1.54 0.00 0.00 55.06 55.27 3phy s HIS 108 Cb -0.10 0.36 -0.04 0.00 0.04 0.00 0.00 32.58 32.84 3phy s HIS 108 CO 0.46 -1.02 -0.10 -1.64 -2.34 0.00 0.00 174.74 170.10 3phy s MET 109 N 2.84 2.23 0.00 2.88 1.00 -0.65 -1.54 119.30 126.07 3phy s MET 109 Ca 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 55.69 54.87 3phy s MET 109 Cb -0.11 -2.35 0.00 0.00 0.00 0.00 0.00 34.83 32.38 3phy s MET 109 CO -0.25 0.53 0.00 1.17 0.00 0.00 0.00 175.02 176.48 3phy n LYS 110 N 0.99 0.26 -3.57 2.03 4.81 -0.01 -2.01 118.16 120.65 3phy n LYS 110 Ca -0.14 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.90 3phy n LYS 110 Cb 0.52 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.49 3phy n LYS 110 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3phy s LYS 111 N -0.64 2.53 0.13 1.64 2.20 0.61 -1.88 119.74 124.33 3phy s LYS 111 Ca 0.00 -1.91 -0.35 0.00 -0.36 0.00 0.00 55.97 53.35 3phy s LYS 111 Cb 0.00 -3.91 -0.16 0.00 -1.51 0.00 0.00 37.83 32.25 3phy s LYS 111 CO 0.00 -1.19 1.39 0.00 -0.36 0.00 0.00 175.35 175.19 3phy n ALA 112 N 4.65 -0.13 0.02 3.13 0.00 -0.82 -4.85 120.51 122.50 3phy n ALA 112 Ca -0.04 0.48 0.02 0.00 0.00 0.00 0.00 53.44 53.91 3phy n ALA 112 Cb 0.41 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 3phy n ALA 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3phy n LEU 113 N 2.70 0.02 0.01 0.00 4.32 -1.26 -3.35 117.00 119.45 3phy n LEU 113 Ca 0.17 -0.05 0.22 0.00 -0.02 0.00 0.00 56.01 56.33 3phy n LEU 113 Cb 0.23 0.00 0.73 0.00 -1.62 0.00 0.00 43.42 42.76 3phy n LEU 113 CO 0.62 0.01 1.20 0.28 -1.22 0.00 0.00 177.39 178.28 3phy h SER 114 N 0.00 0.00 0.00 -1.43 0.02 -1.88 -3.41 113.55 106.84 3phy h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3phy h SER 114 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3phy h SER 114 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 3phy n GLY 115 N -1.57 0.00 0.00 -3.77 0.00 -1.26 -5.09 105.19 93.49 3phy n GLY 115 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -5.13 116.55 119.77 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 -0.15 0.00 -3.81 -2.24 7.64 -1.21 -4.81 113.62 109.04 3phy n SER 117 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 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 0.21 -0.03 1.43 2.02 -0.98 -1.95 117.35 118.05 3phy s TYR 118 Ca 0.00 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 3phy s TYR 118 Cb 0.00 -0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 3phy s TYR 118 CO 0.00 -0.11 -0.18 1.67 -1.57 0.00 0.00 175.55 175.36 3phy s TRP 119 N 0.99 1.67 -0.25 2.71 1.48 -0.79 -0.63 118.94 124.13 3phy s TRP 119 Ca -0.09 -0.38 -0.03 0.00 -1.06 0.00 0.00 56.10 54.54 3phy s TRP 119 Cb -0.13 -1.10 0.02 0.00 -1.16 0.00 0.00 33.47 31.10 3phy s TRP 119 CO -0.02 -0.08 -0.04 0.08 -4.06 0.00 0.00 176.95 172.83 3phy s VAL 120 N -0.25 3.10 -0.22 -0.66 1.01 -0.45 -0.83 120.40 122.10 3phy s VAL 120 Ca 0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 3phy s VAL 120 Cb -0.09 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3phy s VAL 120 CO 0.00 0.22 0.14 -0.36 0.00 0.00 0.00 175.10 175.10 3phy s PHE 121 N 1.37 3.33 -0.21 5.22 0.08 -0.59 -2.10 117.98 125.09 3phy s PHE 121 Ca 0.01 0.23 -0.05 0.00 0.12 0.00 0.00 56.93 57.25 3phy s PHE 121 Cb -0.16 -2.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 3phy s PHE 121 CO -0.03 0.14 -0.01 0.08 -0.10 0.00 0.00 175.22 175.29 3phy s VAL 122 N 0.79 3.78 -0.24 -0.44 1.01 -0.90 -1.25 120.40 123.16 3phy s VAL 122 Ca 0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3phy s VAL 122 Cb -0.13 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3phy s VAL 122 CO 0.02 0.42 0.19 -0.75 0.00 0.00 0.00 175.10 174.98 3phy s LYS 123 N 1.22 4.08 -0.11 2.72 2.47 -0.90 -1.90 119.74 127.31 3phy s LYS 123 Ca 0.03 -0.21 -0.30 0.00 -1.56 0.00 0.00 55.97 53.94 3phy s LYS 123 Cb -0.15 -3.55 -0.03 0.00 -1.46 0.00 0.00 37.83 32.65 3phy s LYS 123 CO 0.01 0.03 1.28 0.50 0.16 0.00 0.00 175.35 177.33 3phy s ARG 124 N 1.14 4.27 0.00 4.03 3.52 -1.21 -1.22 118.95 129.48 3phy s ARG 124 Ca 0.09 1.72 0.28 0.00 -0.13 0.00 0.00 55.73 57.69 3phy s ARG 124 Cb -0.14 -3.71 0.96 0.00 -1.56 0.00 0.00 34.95 30.50 3phy s ARG 124 CO 0.05 -0.63 1.69 0.28 -0.81 0.00 0.00 175.30 175.88