#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 1.30 -0.08 0.03 0.00 -1.26 -5.12 120.64 115.51 3phy n GLU 2 Ca 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 57.16 55.47 3phy n GLU 2 Cb 0.00 0.31 0.10 0.00 0.00 0.00 0.00 31.44 31.85 3phy n GLU 2 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3phy n HIS 3 N -0.80 -2.54 -1.71 -1.84 -0.00 -1.26 -4.82 115.22 102.25 3phy n HIS 3 Ca -0.05 -0.26 -0.43 0.00 0.46 0.00 0.00 57.72 57.44 3phy n HIS 3 Cb 0.28 -0.42 -0.01 0.00 -0.12 0.00 0.00 29.99 29.72 3phy n HIS 3 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3phy n VAL 4 N -3.91 1.71 -3.09 3.57 0.31 -1.26 -4.95 118.33 110.72 3phy n VAL 4 Ca 0.04 -0.43 -0.39 0.00 -0.01 0.00 0.00 64.34 63.56 3phy n VAL 4 Cb 0.19 -1.65 -0.06 0.00 -0.91 0.00 0.00 33.84 31.41 3phy n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3phy s ALA 5 N -0.80 3.50 0.03 3.52 0.00 -1.26 -4.97 121.76 121.77 3phy s ALA 5 Ca 0.58 0.23 -0.20 0.00 0.00 0.00 0.00 51.96 52.57 3phy s ALA 5 Cb -0.56 -2.83 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 3phy s ALA 5 CO 0.59 0.33 1.24 0.35 0.00 0.00 0.00 175.76 178.27 3phy h PHE 6 N 4.32 -0.68 -0.53 0.00 3.04 -2.01 -0.82 116.94 120.26 3phy h PHE 6 Ca -0.48 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 61.61 3phy h PHE 6 Cb 1.21 0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.92 3phy h PHE 6 CO 0.65 -0.42 0.46 0.78 -2.02 0.00 0.00 178.31 177.76 3phy h GLY 7 N -0.77 0.00 0.00 2.40 0.00 -1.97 -3.46 103.07 99.27 3phy h GLY 7 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3phy h GLY 7 CO 0.12 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.40 3phy n SER 8 N -4.00 -0.93 -4.49 0.19 2.88 -0.31 -3.36 113.62 103.60 3phy n SER 8 Ca 0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.51 3phy n SER 8 Cb 0.67 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.03 3phy n SER 8 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3phy n GLU 9 N -0.29 0.24 -2.03 -1.46 2.13 -1.26 -4.21 120.64 113.75 3phy n GLU 9 Ca 0.00 -1.02 -0.04 0.00 0.66 0.00 0.00 57.16 56.76 3phy n GLU 9 Cb 0.00 -3.20 0.00 0.00 0.27 0.00 0.00 31.44 28.52 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3phy n ASP 10 N 16.20 -0.62 0.07 4.31 9.92 -1.25 -4.70 116.55 140.48 3phy n ASP 10 Ca 0.41 -0.07 -0.05 0.00 -0.53 0.00 0.00 54.79 54.55 3phy n ASP 10 Cb 0.43 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.68 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3phy h ILE 11 N 0.57 0.00 -0.75 0.53 1.08 -1.72 -2.61 117.51 114.61 3phy h ILE 11 Ca -0.08 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.59 3phy h ILE 11 Cb 0.17 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.78 3phy h ILE 11 CO 0.04 0.00 -0.05 -1.84 -0.69 0.00 0.00 178.15 175.61 3phy n GLU 12 N -3.17 -0.06 -0.05 2.37 0.28 -1.26 0.96 120.64 119.70 3phy n GLU 12 Ca -0.03 1.14 -0.11 0.00 -0.16 0.00 0.00 57.16 58.00 3phy n GLU 12 Cb 0.12 -1.78 -0.05 0.00 1.43 0.00 0.00 31.44 31.16 3phy n GLU 12 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 3phy h ASN 13 N 0.00 0.24 0.64 -1.84 -1.24 -1.87 -1.30 115.58 110.22 3phy h ASN 13 Ca 0.43 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.25 3phy h ASN 13 Cb 0.83 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.81 3phy h ASN 13 CO -0.73 0.36 0.00 0.41 -1.29 0.00 0.00 177.43 176.18 3phy n THR 14 N -4.84 0.89 0.39 -3.57 -1.04 0.27 -2.24 114.28 104.15 3phy n THR 14 Ca -0.04 0.25 0.11 0.00 -2.04 0.00 0.00 64.05 62.33 3phy n THR 14 Cb 0.13 -1.14 -0.04 0.00 -1.82 0.00 0.00 70.33 67.47 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 -2.03 0.53 0.04 -4.42 4.77 0.83 0.16 117.00 116.87 3phy n LEU 15 Ca 0.02 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 3phy n LEU 15 Cb 0.21 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.15 3phy n LEU 15 CO 0.18 0.02 -0.20 0.00 -1.33 0.00 0.00 177.39 176.05 3phy h ALA 16 N 2.36 0.66 0.00 -1.18 0.00 -0.80 -3.37 119.26 116.94 3phy h ALA 16 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3phy h ALA 16 Cb 0.82 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3phy h ALA 16 CO 0.00 1.09 0.00 1.17 0.00 0.00 0.00 179.25 181.51 3phy n LYS 17 N -3.02 -0.11 -1.23 0.00 4.81 -1.10 -5.11 118.16 112.40 3phy n LYS 17 Ca -0.09 -0.36 0.14 0.00 -0.87 0.00 0.00 58.31 57.13 3phy n LYS 17 Cb 0.89 -0.85 -0.08 0.00 0.02 0.00 0.00 35.03 35.02 3phy n LYS 17 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3phy n MET 18 N -0.09 -2.89 0.00 1.64 2.81 0.12 -5.02 117.12 113.70 3phy n MET 18 Ca 0.00 2.36 0.00 0.00 -1.81 0.00 0.00 57.70 58.25 3phy n MET 18 Cb 0.04 -3.33 0.00 0.00 -0.71 0.00 0.00 33.22 29.22 3phy n MET 18 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3phy n ASP 19 N -3.91 0.70 0.00 7.83 2.03 -1.24 -4.85 116.55 117.11 3phy n ASP 19 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 3phy n ASP 19 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 3phy n ASP 19 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3phy n ASP 20 N 0.00 0.00 -2.33 1.67 9.92 -1.26 -2.37 116.55 122.18 3phy n ASP 20 Ca 0.00 0.31 -0.24 0.00 -0.53 0.00 0.00 54.79 54.33 3phy n ASP 20 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 21 N -0.48 4.23 2.35 0.44 0.00 -1.26 -4.68 105.19 105.80 3phy n GLY 21 Ca 0.00 -1.68 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 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 0.84 -1.78 -4.31 1.61 1.13 -1.00 -1.62 117.38 112.25 3phy n GLN 22 Ca 0.44 0.83 -0.36 0.00 -1.94 0.00 0.00 57.00 55.98 3phy n GLN 22 Cb 0.58 -5.35 -0.06 0.00 0.11 0.00 0.00 30.24 25.52 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 -2.61 -1.32 -0.48 1.08 0.00 -1.26 -4.56 117.00 107.86 3phy n LEU 23 Ca -0.18 -1.15 0.10 0.00 0.00 0.00 0.00 56.01 54.78 3phy n LEU 23 Cb 0.60 -1.83 0.39 0.00 0.00 0.00 0.00 43.42 42.58 3phy n LEU 23 CO 0.23 0.30 0.78 0.47 0.00 0.00 0.00 177.39 179.16 3phy n ASP 24 N -2.70 1.43 -2.13 1.96 8.00 -0.64 -3.91 116.55 118.56 3phy n ASP 24 Ca -0.07 -1.68 -0.17 0.00 0.71 0.00 0.00 54.79 53.59 3phy n ASP 24 Cb 0.56 -0.09 0.23 0.00 -0.02 0.00 0.00 41.12 41.79 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 25 N 1.08 4.19 0.80 0.44 0.00 -1.26 -3.60 105.19 106.84 3phy n GLY 25 Ca 0.16 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.78 0.00 -0.15 0.99 4.77 -1.25 -5.00 117.00 115.58 3phy n LEU 26 Ca 0.52 -0.35 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 3phy n LEU 26 Cb 1.56 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 42.46 3phy n LEU 26 CO 0.54 -0.66 0.15 0.00 -1.33 0.00 0.00 177.39 176.09 3phy n ALA 27 N -3.10 2.83 -4.01 -1.18 0.00 -1.26 -4.79 120.51 108.99 3phy n ALA 27 Ca -0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 3phy n ALA 27 Cb 0.12 -0.30 -0.16 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.36 2.34 0.38 0.00 -0.71 -1.26 -3.05 117.98 114.32 3phy s PHE 28 Ca 0.06 -1.44 -0.27 0.00 -1.04 0.00 0.00 56.93 54.24 3phy s PHE 28 Cb 0.07 -1.64 -0.11 0.00 -1.21 0.00 0.00 43.02 40.13 3phy s PHE 28 CO 0.24 -0.72 1.33 0.41 -1.34 0.00 0.00 175.22 175.15 3phy n GLY 29 N 4.72 0.71 3.15 1.99 0.00 0.27 -4.64 105.19 111.39 3phy n GLY 29 Ca -0.16 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.14 2.60 0.13 4.61 0.00 -1.03 -1.32 121.76 125.60 3phy s ALA 30 Ca 0.57 -1.49 0.10 0.00 0.00 0.00 0.00 51.96 51.14 3phy s ALA 30 Cb -0.52 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 3phy s ALA 30 CO 0.61 -0.82 -0.23 0.96 0.00 0.00 0.00 175.76 176.28 3phy s ILE 31 N 1.27 2.54 0.44 0.00 -5.25 -1.15 -3.42 121.20 115.63 3phy s ILE 31 Ca -0.01 -1.65 0.06 0.00 -0.99 0.00 0.00 60.65 58.06 3phy s ILE 31 Cb -0.17 -2.15 -0.05 0.00 2.95 0.00 0.00 42.46 43.05 3phy s ILE 31 CO -0.06 0.09 0.09 -1.10 -1.79 0.00 0.00 174.94 172.16 3phy s GLN 32 N -2.12 2.11 -0.03 0.37 -0.21 -0.63 -1.08 119.66 118.08 3phy s GLN 32 Ca 0.16 -2.09 -0.20 0.00 0.02 0.00 0.00 55.36 53.25 3phy s GLN 32 Cb -0.10 -1.75 0.04 0.00 1.00 0.00 0.00 33.01 32.20 3phy s GLN 32 CO 0.08 -0.18 0.43 -0.51 -2.12 0.00 0.00 175.29 172.99 3phy s LEU 33 N -3.85 0.38 -0.08 2.90 1.43 0.37 -2.44 118.68 117.39 3phy s LEU 33 Ca 0.30 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 3phy s LEU 33 Cb 0.05 1.66 -0.01 0.00 0.03 0.00 0.00 46.19 47.92 3phy s LEU 33 CO 0.16 -0.48 -0.23 -1.81 0.23 0.00 0.00 176.35 174.22 3phy s ASP 34 N -1.21 3.20 0.00 2.29 1.01 -0.56 -2.60 116.67 118.80 3phy s ASP 34 Ca -0.12 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.64 3phy s ASP 34 Cb -0.04 -1.11 0.00 0.00 1.01 0.00 0.00 42.92 42.78 3phy s ASP 34 CO 0.06 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.26 3phy n GLY 35 N 3.17 0.00 0.00 0.21 0.00 -1.26 -1.61 105.19 105.70 3phy n GLY 35 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 8.00 -1.26 -4.91 116.55 119.99 3phy n ASP 36 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3phy n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3phy n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 37 N 0.00 1.33 3.67 0.44 0.00 -0.63 -4.97 105.19 105.03 3phy n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 6.86 0.28 1.61 -0.87 -1.19 -1.62 114.94 118.01 3phy s ASN 38 Ca 0.00 1.05 -0.30 0.00 -1.57 0.00 0.00 52.86 52.04 3phy s ASN 38 Cb 0.00 -2.42 -0.13 0.00 -0.02 0.00 0.00 41.25 38.69 3phy s ASN 38 CO 0.00 -0.36 1.43 0.00 -2.57 0.00 0.00 177.10 175.60 3phy n ILE 39 N 4.73 1.24 -0.06 0.60 3.06 -1.17 -1.50 119.36 126.26 3phy n ILE 39 Ca 0.02 -0.31 -0.06 0.00 -2.50 0.00 0.00 62.75 59.90 3phy n ILE 39 Cb 0.49 -1.63 -0.09 0.00 0.54 0.00 0.00 39.64 38.95 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 1.79 0.25 -3.45 9.51 4.77 -1.02 -4.06 117.00 124.78 3phy n LEU 40 Ca 0.09 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3phy n LEU 40 Cb 0.34 0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3phy n LEU 40 CO 0.63 0.34 0.40 -1.58 -1.33 0.00 0.00 177.39 175.85 3phy s GLN 41 N -2.29 1.31 0.00 3.23 -0.44 -1.26 -4.91 119.66 115.29 3phy s GLN 41 Ca -0.07 -0.50 0.00 0.00 -2.50 0.00 0.00 55.36 52.29 3phy s GLN 41 Cb 0.04 0.59 0.00 0.00 -1.64 0.00 0.00 33.01 32.00 3phy s GLN 41 CO 0.48 -0.57 0.00 0.98 0.50 0.00 0.00 175.29 176.68 3phy n TYR 42 N -0.38 -0.00 0.00 1.67 9.36 -1.22 -1.60 117.16 124.98 3phy n TYR 42 Ca -0.16 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.06 3phy n TYR 42 Cb 0.65 0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.48 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 -1.75 0.00 0.02 2.98 6.94 -1.25 -2.47 115.26 119.73 3phy n ASN 43 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.67 3phy n ASN 43 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 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 -0.71 3.45 0.12 -2.53 0.00 -1.26 -3.91 120.51 115.67 3phy n ALA 44 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 53.44 52.93 3phy n ALA 44 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 3phy n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3phy h ALA 45 N 2.46 -1.03 -0.39 0.00 0.00 -1.86 0.58 119.26 119.02 3phy h ALA 45 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3phy h ALA 45 Cb 0.77 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3phy h ALA 45 CO 0.00 -1.02 0.14 1.05 0.00 0.00 0.00 179.25 179.42 3phy h GLU 46 N -0.32 0.60 0.00 0.00 4.11 -1.85 -1.24 114.58 115.87 3phy h GLU 46 Ca -0.03 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.28 3phy h GLU 46 Cb 0.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3phy h GLU 46 CO 0.04 0.59 0.00 0.41 0.07 0.00 0.00 179.01 180.12 3phy n GLY 47 N -0.70 -0.84 0.09 1.06 0.00 -1.21 -1.35 105.19 102.25 3phy n GLY 47 Ca -0.00 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.15 -0.02 1.61 3.58 0.14 0.51 116.42 122.39 3phy h ASP 48 Ca 0.00 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.16 3phy h ASP 48 Cb 0.04 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.04 3phy h ASP 48 CO 0.00 1.22 -0.12 0.40 -2.88 0.00 0.00 179.24 177.86 3phy h ILE 49 N 0.03 1.50 0.00 2.25 5.03 -1.01 -3.35 117.51 121.96 3phy h ILE 49 Ca -0.25 -1.64 -0.32 0.00 -0.12 0.00 0.00 64.86 62.53 3phy h ILE 49 Cb 1.98 2.52 -0.06 0.00 -3.03 0.00 0.00 36.82 38.23 3phy h ILE 49 CO 0.11 0.44 -2.02 1.07 -0.68 0.00 0.00 178.15 177.07 3phy n THR 50 N -4.64 1.45 0.00 -0.27 5.66 -0.86 -4.99 114.28 110.63 3phy n THR 50 Ca -0.09 -0.81 0.00 0.00 -3.05 0.00 0.00 64.05 60.10 3phy n THR 50 Cb 0.40 -0.72 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 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 1.63 0.40 0.44 1.09 0.00 0.18 -4.99 105.19 103.94 3phy n GLY 51 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3phy n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3phy h ARG 52 N 4.51 -0.43 -2.19 1.61 3.08 -1.79 -3.47 114.38 115.70 3phy h ARG 52 Ca 0.00 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.13 3phy h ARG 52 Cb 0.00 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3phy h ARG 52 CO 0.00 -0.29 -0.62 -3.47 -1.07 0.00 0.00 179.97 174.52 3phy n ASP 53 N -5.41 -4.95 -0.05 7.04 2.03 -1.25 -3.79 116.55 110.16 3phy n ASP 53 Ca -0.04 1.06 -0.13 0.00 0.52 0.00 0.00 54.79 56.21 3phy n ASP 53 Cb 0.36 -2.70 -0.11 0.00 -0.72 0.00 0.00 41.12 37.94 3phy n ASP 53 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3phy h PRO 54 N -0.13 -0.01 0.00 -0.67 0.13 -1.92 -2.01 132.00 127.39 3phy h PRO 54 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3phy h PRO 54 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 3phy h PRO 54 CO 0.01 0.82 0.09 1.57 -0.23 0.00 0.00 178.00 180.26 3phy h LYS 55 N -0.90 0.00 0.03 0.86 2.10 -1.96 0.38 116.57 117.08 3phy h LYS 55 Ca -0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.27 3phy h LYS 55 Cb 0.83 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.11 3phy h LYS 55 CO 0.00 0.00 -2.21 0.94 -2.00 0.00 0.00 179.45 176.18 3phy n GLN 56 N -2.78 0.66 -0.02 0.07 7.27 -1.23 -4.14 117.38 117.21 3phy n GLN 56 Ca -0.02 0.25 0.10 0.00 0.07 0.00 0.00 57.00 57.40 3phy n GLN 56 Cb 0.15 -1.59 0.53 0.00 2.41 0.00 0.00 30.24 31.73 3phy n GLN 56 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3phy n VAL 57 N -3.66 0.05 -2.18 1.69 0.24 -0.76 -4.71 118.33 109.00 3phy n VAL 57 Ca -0.42 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 3phy n VAL 57 Cb 0.95 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 33.17 3phy n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3phy s ILE 58 N -1.95 3.70 0.00 1.34 1.01 0.13 -1.35 121.20 124.07 3phy s ILE 58 Ca 0.30 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.97 3phy s ILE 58 Cb 0.14 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3phy s ILE 58 CO 0.24 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3phy n GLY 59 N 3.76 3.25 3.71 6.18 0.00 -1.26 -5.02 105.19 115.82 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 -0.56 4.58 0.04 1.61 -0.14 -0.46 -4.77 119.74 120.04 3phy s LYS 60 Ca 0.00 1.42 -0.30 0.00 -1.36 0.00 0.00 55.97 55.73 3phy s LYS 60 Cb 0.00 -3.45 -0.07 0.00 -1.68 0.00 0.00 37.83 32.63 3phy s LYS 60 CO 0.00 -0.02 1.50 1.21 -0.76 0.00 0.00 175.35 177.28 3phy s ASN 61 N 0.88 6.75 0.00 2.83 3.84 -1.26 -3.07 114.94 124.91 3phy s ASN 61 Ca 0.51 2.28 0.18 0.00 0.21 0.00 0.00 52.86 56.04 3phy s ASN 61 Cb -0.21 -2.56 0.89 0.00 -0.55 0.00 0.00 41.25 38.81 3phy s ASN 61 CO 0.28 -0.78 1.54 0.33 -2.79 0.00 0.00 177.10 175.69 3phy n PHE 62 N 5.33 0.00 -0.09 0.43 7.35 -0.64 -0.40 117.46 129.45 3phy n PHE 62 Ca 0.14 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.62 3phy n PHE 62 Cb 0.42 -0.31 -0.12 0.00 0.35 0.00 0.00 39.48 39.82 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 -1.31 0.45 0.00 -5.13 3.72 -1.26 -3.52 117.46 110.41 3phy n PHE 63 Ca 0.08 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3phy n PHE 63 Cb 0.15 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.63 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 -3.51 3.23 0.00 -1.08 2.85 -1.22 -3.27 118.16 115.17 3phy n LYS 64 Ca -0.42 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 56.95 3phy n LYS 64 Cb 0.98 -0.55 0.04 0.00 -0.65 0.00 0.00 35.03 34.85 3phy n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3phy n ASP 65 N -0.71 2.38 0.00 -5.58 2.03 -0.05 -4.65 116.55 109.97 3phy n ASP 65 Ca 0.00 -1.69 0.00 0.00 0.52 0.00 0.00 54.79 53.62 3phy n ASP 65 Cb 0.00 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3phy n VAL 66 N 0.60 0.00 -3.84 5.18 0.31 0.46 -4.60 118.33 116.44 3phy n VAL 66 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.14 3phy n VAL 66 Cb 0.49 -0.76 -0.16 0.00 -0.91 0.00 0.00 33.84 32.50 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 -1.88 1.70 -2.00 3.52 0.00 -1.23 -4.98 121.76 116.89 3phy s ALA 67 Ca 0.00 -1.37 0.18 0.00 0.00 0.00 0.00 51.96 50.77 3phy s ALA 67 Cb 0.00 -1.46 1.07 0.00 0.00 0.00 0.00 23.12 22.72 3phy s ALA 67 CO 0.00 -1.35 1.52 -0.35 0.00 0.00 0.00 175.76 175.58 3phy n PRO 68 N 4.77 0.73 -0.07 0.00 -0.04 -1.26 -2.85 135.00 136.29 3phy n PRO 68 Ca -0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 3phy n PRO 68 Cb 0.44 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.66 0.47 -1.53 0.00 -2.24 -1.13 -3.53 114.28 103.65 3phy n THR 70 Ca -0.25 0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 3phy n THR 70 Cb 1.02 -0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.30 6.65 -4.19 3.42 5.68 -1.20 -0.45 116.55 125.16 3phy n ASP 71 Ca 0.08 -3.13 -0.27 0.00 -0.50 0.00 0.00 54.79 50.97 3phy n ASP 71 Cb 0.15 -1.27 -0.08 0.00 -1.14 0.00 0.00 41.12 38.78 3phy n ASP 71 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3phy s SER 72 N 0.51 3.07 0.00 -1.12 0.15 -1.23 -4.90 113.70 110.18 3phy s SER 72 Ca 0.59 -1.70 0.29 0.00 0.70 0.00 0.00 55.95 55.83 3phy s SER 72 Cb 0.34 0.56 1.72 0.00 -1.71 0.00 0.00 66.02 66.93 3phy s SER 72 CO -0.18 -0.95 2.06 -0.81 1.20 0.00 0.00 173.24 174.56 3phy n PRO 73 N -0.99 0.89 -0.05 5.44 -0.04 -1.26 -0.14 135.00 138.84 3phy n PRO 73 Ca -0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.34 3phy n PRO 73 Cb 0.65 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.01 1.70 -0.01 0.54 -0.58 -1.26 -3.77 120.64 116.25 3phy n GLU 74 Ca 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 57.16 56.92 3phy n GLU 74 Cb 0.10 -1.32 -0.00 0.00 -0.57 0.00 0.00 31.44 29.65 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3phy n PHE 75 N -2.37 0.00 0.32 -0.32 -0.00 -1.21 -4.10 117.46 109.79 3phy n PHE 75 Ca -0.17 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.44 3phy n PHE 75 Cb 0.80 -0.04 0.63 0.00 -0.00 0.00 0.00 39.48 40.87 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 -0.07 0.00 0.68 -5.13 3.20 0.20 -2.92 116.97 112.92 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 0.07 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.35 3phy h TYR 76 CO -0.03 0.00 -0.32 0.78 -1.64 0.00 0.00 178.16 176.94 3phy h GLY 77 N 2.03 -0.95 2.00 1.82 0.00 -0.63 0.57 103.07 107.92 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 -0.34 0.00 0.50 0.00 0.00 0.00 176.54 176.70 3phy h LYS 78 N -1.03 0.00 0.11 4.80 1.79 -1.66 -0.50 116.57 120.08 3phy h LYS 78 Ca -0.09 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.10 3phy h LYS 78 Cb 0.70 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 3phy h LYS 78 CO 0.15 0.00 -1.33 0.35 -1.08 0.00 0.00 179.45 177.54 3phy h PHE 79 N 0.00 0.44 0.00 -1.35 3.04 -1.28 -1.28 116.94 116.51 3phy h PHE 79 Ca 0.00 -0.32 0.00 0.00 3.98 0.00 0.00 57.97 61.63 3phy h PHE 79 Cb 0.13 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.63 3phy h PHE 79 CO 0.00 1.29 0.00 1.63 -2.02 0.00 0.00 178.31 179.21 3phy n LYS 80 N -3.48 0.18 -0.09 1.11 5.02 0.16 -1.61 118.16 119.44 3phy n LYS 80 Ca -0.11 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 55.99 3phy n LYS 80 Cb 1.03 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 34.41 3phy n LYS 80 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3phy n GLU 81 N -1.41 0.67 -0.17 1.97 1.02 -0.80 -3.37 120.64 118.54 3phy n GLU 81 Ca 0.10 0.24 -0.10 0.00 -0.02 0.00 0.00 57.16 57.38 3phy n GLU 81 Cb 0.29 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.99 1.01 1.03 0.62 0.00 -1.22 0.33 103.07 105.83 3phy h GLY 82 Ca -0.53 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 45.98 3phy h GLY 82 CO -0.10 0.72 0.45 -2.08 0.00 0.00 0.00 176.54 175.53 3phy h VAL 83 N 0.80 1.26 -0.01 4.60 2.07 -1.48 -1.44 116.25 122.05 3phy h VAL 83 Ca 0.14 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3phy h VAL 83 Cb 0.60 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3phy h VAL 83 CO 0.04 0.30 -0.21 0.00 0.02 0.00 0.00 177.57 177.72 3phy n ALA 84 N -2.41 2.98 -0.02 1.67 0.00 -1.05 -3.85 120.51 117.83 3phy n ALA 84 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.16 3phy n ALA 84 Cb 0.12 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.73 0.34 0.00 0.00 2.88 0.11 -4.98 113.62 111.24 3phy n SER 85 Ca 0.13 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 3phy n SER 85 Cb 0.33 0.94 0.00 0.00 -0.75 0.00 0.00 64.21 64.72 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 1.48 0.82 2.65 0.46 0.00 -0.61 -4.94 105.19 105.04 3phy n GLY 86 Ca -0.16 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 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 1.41 -1.06 -4.69 1.61 6.94 -1.18 -5.10 115.26 113.19 3phy n ASN 87 Ca 0.00 -1.60 -0.56 0.00 -0.02 0.00 0.00 54.58 52.40 3phy n ASN 87 Cb 0.31 1.04 -0.07 0.00 -2.36 0.00 0.00 39.78 38.71 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3phy n LEU 88 N 0.40 2.44 -3.12 -4.53 0.00 -1.22 -4.77 117.00 106.21 3phy n LEU 88 Ca -0.09 1.07 0.00 0.00 0.00 0.00 0.00 56.01 56.99 3phy n LEU 88 Cb 0.75 -1.18 -0.01 0.00 0.00 0.00 0.00 43.42 42.99 3phy n LEU 88 CO -0.12 -0.46 0.11 0.21 0.00 0.00 0.00 177.39 177.13 3phy s ASN 89 N 3.18 -1.47 0.20 1.96 3.84 -1.26 -0.33 114.94 121.06 3phy s ASN 89 Ca 0.96 -0.91 -0.10 0.00 0.21 0.00 0.00 52.86 53.01 3phy s ASN 89 Cb -1.00 1.89 -0.01 0.00 -0.55 0.00 0.00 41.25 41.58 3phy s ASN 89 CO 0.61 -0.14 0.36 0.28 -2.79 0.00 0.00 177.10 175.42 3phy s THR 90 N 1.69 0.03 0.20 -5.21 -1.32 -0.99 -5.04 115.64 105.00 3phy s THR 90 Ca 0.18 -1.38 -0.11 0.00 -1.21 0.00 0.00 61.69 59.17 3phy s THR 90 Cb -0.03 -1.99 -0.00 0.00 -1.51 0.00 0.00 72.50 68.97 3phy s THR 90 CO -0.07 -0.15 0.39 0.00 -2.21 0.00 0.00 174.62 172.57 3phy s MET 91 N -3.99 1.34 -0.23 7.08 0.23 -1.26 -1.78 119.30 120.68 3phy s MET 91 Ca 0.20 -1.17 -0.32 0.00 -1.03 0.00 0.00 55.69 53.37 3phy s MET 91 Cb 0.02 0.43 0.16 0.00 -1.53 0.00 0.00 34.83 33.91 3phy s MET 91 CO 0.04 -0.53 1.25 -0.59 -2.03 0.00 0.00 175.02 173.16 3phy s PHE 92 N -3.98 -0.12 -0.32 3.16 -0.12 -1.19 -4.99 117.98 110.42 3phy s PHE 92 Ca 0.19 0.17 -0.27 0.00 -0.05 0.00 0.00 56.93 56.96 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 0.03 -0.14 0.98 -1.83 -0.05 0.00 0.00 175.22 174.21 3phy s GLU 93 N -1.54 4.02 0.47 1.99 4.04 -1.26 -1.78 118.70 124.64 3phy s GLU 93 Ca 0.07 0.90 0.03 0.00 0.04 0.00 0.00 54.97 56.01 3phy s GLU 93 Cb -0.01 -3.74 -0.04 0.00 0.02 0.00 0.00 34.13 30.36 3phy s GLU 93 CO -0.05 -0.84 0.01 -0.47 -1.84 0.00 0.00 175.26 172.07 3phy s TYR 94 N 3.43 2.11 -0.15 4.83 5.04 -0.93 -4.99 117.35 126.70 3phy s TYR 94 Ca 0.41 -0.85 -0.04 0.00 -2.44 0.00 0.00 57.07 54.15 3phy s TYR 94 Cb -0.13 -1.68 0.06 0.00 0.35 0.00 0.00 41.96 40.57 3phy s TYR 94 CO 0.15 0.31 0.11 0.99 -1.34 0.00 0.00 175.55 175.76 3phy s THR 95 N -2.81 -0.13 -0.89 4.34 2.01 -1.26 -2.47 115.64 114.43 3phy s THR 95 Ca 0.17 -0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 3phy s THR 95 Cb 0.05 -0.51 0.06 0.00 0.01 0.00 0.00 72.50 72.11 3phy s THR 95 CO 0.09 -0.18 1.29 -0.36 -0.69 0.00 0.00 174.62 174.76 3phy s PHE 96 N 2.18 2.60 -0.30 4.92 0.08 -0.22 -4.77 117.98 122.46 3phy s PHE 96 Ca 0.03 -0.72 0.08 0.00 0.12 0.00 0.00 56.93 56.44 3phy s PHE 96 Cb -0.15 -4.55 0.47 0.00 -0.57 0.00 0.00 43.02 38.22 3phy s PHE 96 CO -0.08 -1.85 1.38 -0.40 -0.10 0.00 0.00 175.22 174.17 3phy n ASP 97 N 8.42 3.13 -4.84 1.36 5.75 -1.26 -1.67 116.55 127.43 3phy n ASP 97 Ca 0.20 -3.82 -0.32 0.00 -0.01 0.00 0.00 54.79 50.84 3phy n ASP 97 Cb 0.49 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 40.00 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3phy s TYR 98 N -3.37 3.37 0.00 2.11 1.13 -1.26 -4.44 117.35 114.89 3phy s TYR 98 Ca 0.46 1.45 0.00 0.00 -1.41 0.00 0.00 57.07 57.57 3phy s TYR 98 Cb 0.41 -2.83 0.00 0.00 -1.10 0.00 0.00 41.96 38.44 3phy s TYR 98 CO -0.01 -0.60 0.00 1.04 -2.51 0.00 0.00 175.55 173.46 3phy n GLN 99 N -1.90 0.00 -1.27 -3.49 6.02 -1.26 -4.44 117.38 111.05 3phy n GLN 99 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3phy n GLN 99 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3phy n MET 100 N 0.00 0.00 -2.60 -1.09 1.56 -1.26 -5.16 117.12 108.57 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 0.10 0.00 2.15 0.00 0.00 33.22 35.47 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 -3.59 2.19 -0.55 1.12 -4.23 -1.26 -4.99 115.64 104.33 3phy s THR 101 Ca 0.00 -0.61 -0.28 0.00 -1.18 0.00 0.00 61.69 59.62 3phy s THR 101 Cb 0.00 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.28 3phy s THR 101 CO 0.00 0.00 1.28 -2.16 -0.54 0.00 0.00 174.62 173.20 3phy s PRO 102 N -5.10 3.47 -0.05 3.99 0.04 -1.26 -4.32 135.00 131.78 3phy s PRO 102 Ca 0.65 0.41 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 3phy s PRO 102 Cb -0.06 -4.04 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 3phy s PRO 102 CO 0.44 -1.73 0.14 0.99 0.04 0.00 0.00 177.00 176.88 3phy s THR 103 N 5.32 5.29 -0.04 1.26 2.01 -0.67 -4.97 115.64 123.84 3phy s THR 103 Ca 0.48 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.45 3phy s THR 103 Cb -0.09 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 3phy s THR 103 CO 0.27 0.43 -0.20 -1.59 -0.69 0.00 0.00 174.62 172.84 3phy s LYS 104 N -1.57 2.38 -0.19 4.92 0.00 -1.26 -1.06 119.74 122.95 3phy s LYS 104 Ca 0.22 -0.81 -0.21 0.00 0.00 0.00 0.00 55.97 55.17 3phy s LYS 104 Cb -0.12 -2.23 0.06 0.00 0.00 0.00 0.00 37.83 35.53 3phy s LYS 104 CO 0.13 0.56 0.58 0.14 0.00 0.00 0.00 175.35 176.76 3phy s VAL 105 N -0.60 0.00 -0.35 1.79 -7.23 -1.03 -2.03 120.40 110.95 3phy s VAL 105 Ca 0.09 -0.03 -0.20 0.00 -1.81 0.00 0.00 61.98 60.03 3phy s VAL 105 Cb -0.11 -0.82 0.00 0.00 0.56 0.00 0.00 36.38 36.01 3phy s VAL 105 CO 0.00 -0.02 0.63 -1.59 -0.31 0.00 0.00 175.10 173.81 3phy s LYS 106 N 0.06 3.68 0.51 4.82 -2.85 -0.68 -2.19 119.74 123.09 3phy s LYS 106 Ca -0.02 0.04 -0.05 0.00 -1.00 0.00 0.00 55.97 54.94 3phy s LYS 106 Cb -0.04 -3.81 -0.03 0.00 -2.06 0.00 0.00 37.83 31.90 3phy s LYS 106 CO 0.02 -0.72 0.81 0.14 0.10 0.00 0.00 175.35 175.70 3phy s VAL 107 N 2.68 4.59 -0.30 1.79 -7.23 -0.73 -2.00 120.40 119.19 3phy s VAL 107 Ca 0.24 0.15 0.06 0.00 -1.81 0.00 0.00 61.98 60.62 3phy s VAL 107 Cb -0.15 -3.76 0.20 0.00 0.56 0.00 0.00 36.38 33.23 3phy s VAL 107 CO 0.15 -0.75 0.59 -2.28 -0.31 0.00 0.00 175.10 172.49 3phy s HIS 108 N -2.80 -1.83 0.07 2.82 5.04 -0.27 -3.15 115.29 115.16 3phy s HIS 108 Ca 0.49 1.01 0.05 0.00 -1.54 0.00 0.00 55.06 55.07 3phy s HIS 108 Cb -0.10 0.30 -0.04 0.00 0.04 0.00 0.00 32.58 32.78 3phy s HIS 108 CO 0.45 -1.09 -0.05 -1.64 -2.34 0.00 0.00 174.74 170.07 3phy s MET 109 N 2.76 2.42 0.32 2.88 1.00 -0.73 -1.41 119.30 126.53 3phy s MET 109 Ca 0.10 -0.87 0.01 0.00 0.00 0.00 0.00 55.69 54.94 3phy s MET 109 Cb -0.10 -2.46 -0.00 0.00 0.00 0.00 0.00 34.83 32.27 3phy s MET 109 CO -0.25 0.55 0.39 1.17 0.00 0.00 0.00 175.02 176.88 3phy n LYS 110 N 0.88 0.56 -2.91 2.03 4.81 -0.05 -2.35 118.16 121.12 3phy n LYS 110 Ca -0.13 -2.79 -0.43 0.00 -0.87 0.00 0.00 58.31 54.09 3phy n LYS 110 Cb 0.52 2.53 -0.05 0.00 0.02 0.00 0.00 35.03 38.05 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 -2.93 3.42 0.34 1.64 2.20 0.56 -1.69 119.74 123.27 3phy s LYS 111 Ca 0.31 -0.08 -0.27 0.00 -0.36 0.00 0.00 55.97 55.56 3phy s LYS 111 Cb 0.00 -3.96 -0.13 0.00 -1.51 0.00 0.00 37.83 32.24 3phy s LYS 111 CO 0.22 -1.21 1.17 0.00 -0.36 0.00 0.00 175.35 175.18 3phy n ALA 112 N 6.93 0.71 1.20 3.13 0.00 -1.16 -4.85 120.51 126.47 3phy n ALA 112 Ca 0.03 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.87 3phy n ALA 112 Cb 0.48 -2.16 0.14 0.00 0.00 0.00 0.00 19.45 17.91 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 0.85 1.37 0.31 0.00 4.77 -1.26 -3.50 117.00 119.55 3phy n LEU 113 Ca 0.07 -0.68 0.21 0.00 -0.03 0.00 0.00 56.01 55.58 3phy n LEU 113 Cb 0.35 -0.17 1.12 0.00 -2.33 0.00 0.00 43.42 42.40 3phy n LEU 113 CO 0.61 0.34 1.13 0.28 -1.33 0.00 0.00 177.39 178.42 3phy h SER 114 N 1.52 0.00 0.00 -1.43 0.02 -1.90 -3.43 113.55 108.32 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 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 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 -1.12 1.04 0.00 -3.77 0.00 -1.26 -4.98 105.19 95.10 3phy n GLY 115 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.45 1.61 9.92 -1.26 -5.13 116.55 120.25 3phy n ASP 116 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3phy n ASP 116 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3phy n ASP 116 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3phy n SER 117 N 0.00 1.58 -3.43 -2.24 2.88 -1.23 -4.70 113.62 106.49 3phy n SER 117 Ca 0.00 -0.81 -0.09 0.00 -1.33 0.00 0.00 58.87 56.64 3phy n SER 117 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3phy n SER 117 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3phy s TYR 118 N -0.87 -0.78 -0.03 0.66 2.02 -1.07 -2.97 117.35 114.32 3phy s TYR 118 Ca 0.00 0.95 0.04 0.00 -0.37 0.00 0.00 57.07 57.69 3phy s TYR 118 Cb 0.00 0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.59 3phy s TYR 118 CO 0.00 -0.65 -0.15 1.67 -1.57 0.00 0.00 175.55 174.84 3phy s TRP 119 N 2.55 2.66 -0.30 2.71 1.48 -0.68 -0.48 118.94 126.88 3phy s TRP 119 Ca 0.09 -0.19 -0.00 0.00 -1.06 0.00 0.00 56.10 54.95 3phy s TRP 119 Cb -0.15 -1.59 0.06 0.00 -1.16 0.00 0.00 33.47 30.63 3phy s TRP 119 CO -0.15 0.19 -0.01 0.08 -4.06 0.00 0.00 176.95 173.00 3phy s VAL 120 N -0.77 2.73 -0.24 -0.66 1.01 -0.24 -0.87 120.40 121.37 3phy s VAL 120 Ca 0.12 -1.57 -0.18 0.00 0.00 0.00 0.00 61.98 60.36 3phy s VAL 120 Cb -0.11 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3phy s VAL 120 CO 0.01 -0.16 0.50 -0.36 0.00 0.00 0.00 175.10 175.10 3phy s PHE 121 N 1.18 3.30 -0.29 5.22 0.08 -0.50 -2.94 117.98 124.02 3phy s PHE 121 Ca -0.04 0.66 -0.09 0.00 0.12 0.00 0.00 56.93 57.57 3phy s PHE 121 Cb -0.20 -2.69 -0.02 0.00 -0.57 0.00 0.00 43.02 39.54 3phy s PHE 121 CO -0.03 -0.22 0.14 0.08 -0.10 0.00 0.00 175.22 175.09 3phy s VAL 122 N 2.08 4.66 -0.41 -0.44 1.01 -0.44 -1.11 120.40 125.75 3phy s VAL 122 Ca 0.21 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 3phy s VAL 122 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.93 3phy s VAL 122 CO 0.09 0.16 0.34 -0.75 0.00 0.00 0.00 175.10 174.94 3phy s LYS 123 N 1.64 3.06 0.27 2.72 2.20 -0.85 -0.57 119.74 128.22 3phy s LYS 123 Ca 0.05 -0.90 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 3phy s LYS 123 Cb -0.16 -3.96 -0.13 0.00 -1.51 0.00 0.00 37.83 32.07 3phy s LYS 123 CO 0.06 -0.75 1.44 -2.13 -0.36 0.00 0.00 175.35 173.61 3phy n ARG 124 N 5.29 2.24 0.00 4.03 0.63 -1.17 -1.69 116.66 125.98 3phy n ARG 124 Ca -0.10 0.79 0.12 0.00 -0.92 0.00 0.00 57.85 57.75 3phy n ARG 124 Cb 0.47 -2.47 0.18 0.00 0.45 0.00 0.00 32.46 31.09 3phy n ARG 124 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40