#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2phy s GLU 2 N 0.00 4.40 -1.04 2.12 0.41 -0.96 -5.00 118.70 118.63 2phy s GLU 2 Ca 0.00 1.15 -0.16 0.00 -0.41 0.00 0.00 54.97 55.55 2phy s GLU 2 Cb 0.00 -3.52 0.16 0.00 -1.78 0.00 0.00 34.13 28.98 2phy s GLU 2 CO 0.00 -0.20 1.22 -3.38 -0.49 0.00 0.00 175.26 172.41 2phy s HIS 3 N 1.66 3.34 -0.02 1.61 -3.43 -1.26 -4.55 115.29 112.64 2phy s HIS 3 Ca 0.43 -1.75 0.00 0.00 -0.80 0.00 0.00 55.06 52.94 2phy s HIS 3 Cb -0.18 -4.25 0.02 0.00 -1.43 0.00 0.00 32.58 26.74 2phy s HIS 3 CO 0.17 -1.41 -0.00 0.08 -2.00 0.00 0.00 174.74 171.58 2phy s VAL 4 N 2.00 0.14 0.01 -5.38 1.01 -1.26 -5.14 120.40 111.77 2phy s VAL 4 Ca 0.36 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 2phy s VAL 4 Cb -0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 2phy s VAL 4 CO -0.06 0.11 0.49 0.00 0.00 0.00 0.00 175.10 175.64 2phy s ALA 5 N 0.70 3.61 0.19 5.51 0.00 -1.26 -4.72 121.76 125.79 2phy s ALA 5 Ca -0.07 -0.10 -0.33 0.00 0.00 0.00 0.00 51.96 51.46 2phy s ALA 5 Cb -0.10 -2.55 -0.14 0.00 0.00 0.00 0.00 23.12 20.34 2phy s ALA 5 CO -0.01 0.35 1.55 0.34 0.00 0.00 0.00 175.76 177.98 2phy n PHE 6 N 2.16 2.31 -0.76 0.00 -0.00 -1.26 -2.12 117.46 117.79 2phy n PHE 6 Ca -0.11 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 2phy n PHE 6 Cb 0.52 -2.54 0.00 0.00 -0.00 0.00 0.00 39.48 37.46 2phy n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2phy n GLY 7 N 3.09 0.73 3.76 7.13 0.00 -1.26 -5.02 105.19 113.62 2phy n GLY 7 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2phy n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2phy n SER 8 N 0.00 3.73 0.14 1.61 7.64 -0.90 -4.90 113.62 120.95 2phy n SER 8 Ca 0.00 1.21 0.07 0.00 1.01 0.00 0.00 58.87 61.16 2phy n SER 8 Cb 0.00 -1.61 0.56 0.00 -1.01 0.00 0.00 64.21 62.16 2phy n SER 8 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2phy h GLU 9 N 3.31 0.21 -0.43 1.43 4.11 -1.95 -2.55 114.58 118.70 2phy h GLU 9 Ca -0.50 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 58.76 2phy h GLU 9 Cb 1.24 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 2phy h GLU 9 CO 0.67 0.14 0.06 -0.40 0.07 0.00 0.00 179.01 179.54 2phy n ASP 10 N -4.51 3.24 -0.31 3.06 5.75 -1.26 -4.77 116.55 117.76 2phy n ASP 10 Ca 0.00 -3.48 0.09 0.00 -0.01 0.00 0.00 54.79 51.39 2phy n ASP 10 Cb 0.12 -0.64 0.30 0.00 -1.03 0.00 0.00 41.12 39.87 2phy n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2phy h ILE 11 N 1.39 0.91 -0.29 2.12 2.10 -1.83 -1.47 117.51 120.44 2phy h ILE 11 Ca 0.20 -0.30 -0.03 0.00 1.08 0.00 0.00 64.86 65.82 2phy h ILE 11 Cb 1.79 -0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 37.47 2phy h ILE 11 CO 0.45 0.16 0.06 1.05 -1.08 0.00 0.00 178.15 178.78 2phy h GLU 12 N 0.86 0.42 -0.20 2.19 9.09 -1.86 -0.34 114.58 124.73 2phy h GLU 12 Ca 0.45 -0.06 -0.14 0.00 0.05 0.00 0.00 59.36 59.66 2phy h GLU 12 Cb 0.53 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 2phy h GLU 12 CO -0.21 0.40 -0.40 -0.91 0.05 0.00 0.00 179.01 177.93 2phy h ASN 13 N 0.41 0.71 -0.54 3.06 4.21 -1.66 -2.64 115.58 119.13 2phy h ASN 13 Ca 0.10 -0.55 -0.04 0.00 1.21 0.00 0.00 56.30 57.02 2phy h ASN 13 Cb 0.18 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.16 2phy h ASN 13 CO -0.00 1.13 0.18 0.74 -1.29 0.00 0.00 177.43 178.18 2phy h THR 14 N 0.32 1.23 0.00 2.81 2.02 -1.06 -2.99 112.91 115.24 2phy h THR 14 Ca 0.01 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.42 2phy h THR 14 Cb 1.01 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2phy h THR 14 CO 0.09 0.29 0.00 0.18 0.37 0.00 0.00 175.52 176.45 2phy n LEU 15 N -4.48 0.80 0.29 2.58 4.77 -0.20 -3.32 117.00 117.45 2phy n LEU 15 Ca 0.02 0.60 0.15 0.00 -0.03 0.00 0.00 56.01 56.75 2phy n LEU 15 Cb 0.19 -0.37 0.89 0.00 -2.33 0.00 0.00 43.42 41.80 2phy n LEU 15 CO 0.39 -0.27 1.09 0.00 -1.33 0.00 0.00 177.39 177.27 2phy h ALA 16 N 2.46 1.39 -0.01 -1.18 0.00 -1.30 -2.00 119.26 118.62 2phy h ALA 16 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2phy h ALA 16 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2phy h ALA 16 CO 0.00 0.04 -0.23 0.36 0.00 0.00 0.00 179.25 179.42 2phy n LYS 17 N -3.70 0.76 -3.35 0.00 2.85 -1.21 -4.92 118.16 108.59 2phy n LYS 17 Ca -0.03 -0.41 -0.38 0.00 -1.05 0.00 0.00 58.31 56.44 2phy n LYS 17 Cb 0.13 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 32.94 2phy n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2phy s MET 18 N -2.52 4.16 0.90 -1.58 -1.94 -0.75 -5.08 119.30 112.48 2phy s MET 18 Ca 0.25 0.24 -0.13 0.00 -1.71 0.00 0.00 55.69 54.34 2phy s MET 18 Cb 0.19 -3.55 0.13 0.00 2.01 0.00 0.00 34.83 33.61 2phy s MET 18 CO 0.52 -0.09 1.16 0.16 -0.01 0.00 0.00 175.02 176.76 2phy s ASP 19 N 1.12 3.65 0.47 3.03 -4.77 -1.26 -4.81 116.67 114.10 2phy s ASP 19 Ca 0.20 0.85 0.16 0.00 -3.30 0.00 0.00 52.55 50.46 2phy s ASP 19 Cb -0.15 -1.36 1.13 0.00 -1.09 0.00 0.00 42.92 41.45 2phy s ASP 19 CO 0.08 -2.45 2.03 -2.24 0.70 0.00 0.00 175.17 173.29 2phy h ASP 20 N -1.43 0.23 -0.29 2.11 2.03 -2.00 -2.13 116.42 114.95 2phy h ASP 20 Ca -0.49 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.71 2phy h ASP 20 Cb 1.32 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 39.76 2phy h ASP 20 CO 0.60 0.15 -0.19 1.23 -1.03 0.00 0.00 179.24 180.00 2phy h GLY 21 N 0.26 0.82 1.73 7.15 0.00 -2.00 -2.78 103.07 108.25 2phy h GLY 21 Ca 0.20 -0.67 -0.20 0.00 0.00 0.00 0.00 47.33 46.66 2phy h GLY 21 CO -0.04 0.61 -0.87 1.46 0.00 0.00 0.00 176.54 177.70 2phy h GLN 22 N 0.67 0.24 -0.22 4.80 4.20 -1.76 -3.07 115.11 119.96 2phy h GLN 22 Ca 0.10 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2phy h GLN 22 Cb 0.68 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2phy h GLN 22 CO 0.05 0.97 0.06 1.25 -0.67 0.00 0.00 178.83 180.50 2phy h LEU 23 N 0.14 0.28 -1.06 1.46 5.85 -1.28 -0.50 115.31 120.20 2phy h LEU 23 Ca -0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2phy h LEU 23 Cb 1.50 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.46 2phy h LEU 23 CO 0.14 0.28 0.00 0.44 -0.34 0.00 0.00 178.44 178.96 2phy h ASP 24 N 0.31 0.00 -0.10 1.25 3.32 -1.39 -2.41 116.42 117.40 2phy h ASP 24 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2phy h ASP 24 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2phy h ASP 24 CO -0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 2phy n GLY 25 N -0.29 0.16 3.79 2.75 0.00 -0.20 -4.63 105.19 106.77 2phy n GLY 25 Ca 0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 2phy n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2phy s LEU 26 N -1.75 3.71 0.00 0.99 1.43 -0.91 -2.28 118.68 119.88 2phy s LEU 26 Ca 0.35 1.99 0.31 0.00 -1.03 0.00 0.00 54.13 55.74 2phy s LEU 26 Cb 0.19 -4.56 1.75 0.00 0.03 0.00 0.00 46.19 43.60 2phy s LEU 26 CO 0.29 -1.06 2.14 0.00 0.23 0.00 0.00 176.35 177.95 2phy n ALA 27 N -1.40 2.60 -2.26 4.21 0.00 -1.26 -4.73 120.51 117.67 2phy n ALA 27 Ca 0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 2phy n ALA 27 Cb 0.52 -1.50 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 2phy n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2phy s PHE 28 N -2.18 0.81 0.34 0.00 -0.12 -1.26 -5.05 117.98 110.52 2phy s PHE 28 Ca 0.41 -1.17 -0.27 0.00 -0.05 0.00 0.00 56.93 55.85 2phy s PHE 28 Cb 0.21 -0.41 -0.09 0.00 -0.63 0.00 0.00 43.02 42.09 2phy s PHE 28 CO 0.39 -0.57 1.15 0.20 -0.05 0.00 0.00 175.22 176.35 2phy s GLY 29 N -3.05 2.96 -0.07 1.99 0.00 0.32 -4.62 107.32 104.86 2phy s GLY 29 Ca 0.24 0.96 -0.03 0.00 0.00 0.00 0.00 44.72 45.90 2phy s GLY 29 CO 0.03 1.53 0.14 0.00 0.00 0.00 0.00 173.10 174.80 2phy s ALA 30 N -1.29 -0.22 -0.05 3.20 0.00 -1.26 -1.00 121.76 121.14 2phy s ALA 30 Ca 0.51 0.63 0.03 0.00 0.00 0.00 0.00 51.96 53.12 2phy s ALA 30 Cb -0.32 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.29 2phy s ALA 30 CO 0.41 -0.24 -0.13 0.42 0.00 0.00 0.00 175.76 176.22 2phy s ILE 31 N 1.41 1.13 -0.16 0.00 1.01 0.06 -1.57 121.20 123.08 2phy s ILE 31 Ca -0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 2phy s ILE 31 Cb -0.12 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 2phy s ILE 31 CO -0.06 0.34 -0.06 -1.58 0.00 0.00 0.00 174.94 173.59 2phy s GLN 32 N 0.41 3.57 0.16 2.79 0.74 -0.28 -0.81 119.66 126.24 2phy s GLN 32 Ca -0.09 -0.57 0.11 0.00 0.05 0.00 0.00 55.36 54.85 2phy s GLN 32 Cb -0.13 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 2phy s GLN 32 CO 0.03 0.18 -0.23 -0.51 -0.55 0.00 0.00 175.29 174.21 2phy s LEU 33 N 0.51 2.49 0.00 3.68 1.02 0.13 0.06 118.68 126.57 2phy s LEU 33 Ca -0.05 -0.75 -0.04 0.00 0.02 0.00 0.00 54.13 53.32 2phy s LEU 33 Cb -0.15 -1.30 0.14 0.00 0.02 0.00 0.00 46.19 44.91 2phy s LEU 33 CO 0.03 0.15 0.91 -0.90 0.02 0.00 0.00 176.35 176.56 2phy n ASP 34 N 0.55 0.88 0.33 2.29 5.68 -0.53 -0.53 116.55 125.22 2phy n ASP 34 Ca -0.15 -1.82 0.21 0.00 -0.50 0.00 0.00 54.79 52.53 2phy n ASP 34 Cb 0.54 -0.62 1.13 0.00 -1.14 0.00 0.00 41.12 41.03 2phy n ASP 34 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2phy h GLY 35 N -0.74 0.00 -0.66 6.12 0.00 -1.91 -1.35 103.07 104.53 2phy h GLY 35 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2phy h GLY 35 CO 0.29 0.00 -0.10 1.22 0.00 0.00 0.00 176.54 177.95 2phy n ASP 36 N -3.25 1.75 0.00 0.19 8.00 -1.26 -4.94 116.55 117.04 2phy n ASP 36 Ca -0.03 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.00 2phy n ASP 36 Cb 0.09 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2phy n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2phy n GLY 37 N 1.27 0.81 3.75 0.44 0.00 -0.51 -4.91 105.19 106.04 2phy n GLY 37 Ca 0.16 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2phy n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2phy s ASN 38 N -2.00 7.64 -0.21 1.61 0.01 -1.26 -0.47 114.94 120.26 2phy s ASN 38 Ca 0.00 1.96 -0.28 0.00 -0.71 0.00 0.00 52.86 53.83 2phy s ASN 38 Cb 0.00 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2phy s ASN 38 CO 0.00 0.15 0.98 -0.63 -1.51 0.00 0.00 177.10 176.09 2phy s ILE 39 N -1.16 4.74 -0.23 0.60 1.01 -0.25 -1.46 121.20 124.45 2phy s ILE 39 Ca 0.41 1.92 0.09 0.00 0.00 0.00 0.00 60.65 63.07 2phy s ILE 39 Cb -0.26 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 37.74 2phy s ILE 39 CO 0.32 -0.12 -0.09 0.18 0.00 0.00 0.00 174.94 175.24 2phy n LEU 40 N 5.98 1.61 -3.92 2.97 4.77 0.11 -0.82 117.00 127.69 2phy n LEU 40 Ca 0.10 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2phy n LEU 40 Cb 0.47 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 2phy n LEU 40 CO 0.51 0.73 -0.26 -1.10 -1.33 0.00 0.00 177.39 175.93 2phy s GLN 41 N -2.50 0.40 -0.28 3.23 -0.21 -1.12 -4.91 119.66 114.27 2phy s GLN 41 Ca -0.23 -0.50 -0.03 0.00 0.02 0.00 0.00 55.36 54.61 2phy s GLN 41 Cb 0.07 0.16 0.16 0.00 1.00 0.00 0.00 33.01 34.40 2phy s GLN 41 CO 0.69 -0.08 0.55 -0.47 -2.12 0.00 0.00 175.29 173.86 2phy s TYR 42 N -1.42 -1.34 0.70 0.91 6.14 -1.26 -1.13 117.35 119.95 2phy s TYR 42 Ca -0.15 1.65 -0.06 0.00 0.64 0.00 0.00 57.07 59.14 2phy s TYR 42 Cb -0.09 0.48 0.06 0.00 0.42 0.00 0.00 41.96 42.84 2phy s TYR 42 CO 0.00 -0.78 1.01 0.54 0.64 0.00 0.00 175.55 176.96 2phy s ASN 43 N 2.79 4.86 0.22 4.32 4.22 -0.61 -4.78 114.94 125.96 2phy s ASN 43 Ca 0.13 0.46 -0.08 0.00 -2.14 0.00 0.00 52.86 51.23 2phy s ASN 43 Cb -0.14 -1.13 0.19 0.00 1.28 0.00 0.00 41.25 41.44 2phy s ASN 43 CO -0.19 -1.57 1.84 0.00 -2.04 0.00 0.00 177.10 175.15 2phy h ALA 44 N -0.57 1.09 -0.48 3.54 0.00 -1.84 -2.59 119.26 118.41 2phy h ALA 44 Ca -0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2phy h ALA 44 Cb 1.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2phy h ALA 44 CO 0.60 0.60 0.24 0.00 0.00 0.00 0.00 179.25 180.70 2phy h ALA 45 N 1.25 1.54 -0.41 0.00 0.00 -1.83 -0.60 119.26 119.21 2phy h ALA 45 Ca 0.30 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2phy h ALA 45 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2phy h ALA 45 CO -0.05 0.38 -0.14 1.49 0.00 0.00 0.00 179.25 180.93 2phy h GLU 46 N 0.66 0.82 -0.26 0.00 4.57 -1.73 -2.23 114.58 116.42 2phy h GLU 46 Ca 0.17 -0.33 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 2phy h GLU 46 Cb 0.04 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2phy h GLU 46 CO -0.03 0.96 -0.02 0.78 -1.18 0.00 0.00 179.01 179.53 2phy h GLY 47 N 0.64 0.42 1.25 1.92 0.00 -1.03 -1.09 103.07 105.18 2phy h GLY 47 Ca 0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 2phy h GLY 47 CO 0.05 0.22 -0.13 -0.55 0.00 0.00 0.00 176.54 176.13 2phy h ASP 48 N 0.38 0.87 -0.11 0.19 3.32 -0.73 0.12 116.42 120.45 2phy h ASP 48 Ca 0.08 -0.28 -0.22 0.00 0.02 0.00 0.00 57.03 56.63 2phy h ASP 48 Cb 0.28 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.61 2phy h ASP 48 CO 0.01 1.01 -0.78 0.40 -1.72 0.00 0.00 179.24 178.16 2phy h ILE 49 N 0.78 1.28 0.00 0.35 2.04 -0.81 -3.38 117.51 117.77 2phy h ILE 49 Ca 0.12 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.99 2phy h ILE 49 Cb 0.65 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2phy h ILE 49 CO 0.05 0.63 -1.62 0.35 0.00 0.00 0.00 178.15 177.56 2phy n THR 50 N -3.93 0.00 0.00 -0.27 -2.24 -0.47 -5.00 114.28 102.38 2phy n THR 50 Ca -0.07 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2phy n THR 50 Cb 0.75 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2phy n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2phy n GLY 51 N 1.43 1.86 3.78 3.38 0.00 0.40 -4.97 105.19 111.07 2phy n GLY 51 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2phy n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2phy s ARG 52 N -0.55 3.77 -0.26 1.61 3.00 -1.25 -5.00 118.95 120.28 2phy s ARG 52 Ca 0.00 1.61 -0.20 0.00 0.00 0.00 0.00 55.73 57.13 2phy s ARG 52 Cb 0.00 -2.30 -0.02 0.00 0.00 0.00 0.00 34.95 32.64 2phy s ARG 52 CO 0.00 -0.50 0.63 0.34 0.00 0.00 0.00 175.30 175.77 2phy s ASP 53 N -1.60 6.58 0.19 0.23 -1.08 -1.26 -4.43 116.67 115.29 2phy s ASP 53 Ca 0.65 0.70 -0.19 0.00 -0.52 0.00 0.00 52.55 53.20 2phy s ASP 53 Cb -0.24 -2.34 0.14 0.00 -1.46 0.00 0.00 42.92 39.03 2phy s ASP 53 CO 0.29 -0.38 1.61 -0.65 0.52 0.00 0.00 175.17 176.56 2phy h PRO 54 N 7.90 -0.12 0.00 4.34 0.11 -1.89 -1.39 132.00 140.96 2phy h PRO 54 Ca -0.27 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2phy h PRO 54 Cb 1.12 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2phy h PRO 54 CO 0.78 -0.08 -0.07 0.87 -0.21 0.00 0.00 178.00 179.29 2phy h LYS 55 N -0.13 0.00 0.00 1.05 1.79 -1.94 -2.59 116.57 114.76 2phy h LYS 55 Ca 0.24 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.64 2phy h LYS 55 Cb 0.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2phy h LYS 55 CO -0.61 0.07 -0.32 1.96 -1.08 0.00 0.00 179.45 179.47 2phy h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.67 -3.31 115.11 117.47 2phy h GLN 56 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2phy h GLN 56 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2phy h GLN 56 CO 0.01 0.32 -1.04 1.33 -0.67 0.00 0.00 178.83 178.78 2phy n VAL 57 N -3.18 0.18 -1.91 -0.54 0.24 -0.98 -4.83 118.33 107.30 2phy n VAL 57 Ca 0.03 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 2phy n VAL 57 Cb 0.66 0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 33.19 2phy n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2phy s ILE 58 N -3.21 2.63 0.00 1.34 1.01 -1.17 -1.32 121.20 120.47 2phy s ILE 58 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.09 2phy s ILE 58 Cb 0.14 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2phy s ILE 58 CO 0.80 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.38 2phy n GLY 59 N 3.82 2.13 3.88 6.18 0.00 0.00 -5.00 105.19 116.20 2phy n GLY 59 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2phy n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2phy s LYS 60 N -0.97 3.66 -0.18 1.61 -0.14 -0.44 -4.72 119.74 118.56 2phy s LYS 60 Ca 0.00 0.55 -0.23 0.00 -1.36 0.00 0.00 55.97 54.93 2phy s LYS 60 Cb 0.00 -2.23 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 2phy s LYS 60 CO 0.00 -0.33 0.75 1.21 -0.76 0.00 0.00 175.35 176.22 2phy s ASN 61 N -3.85 6.84 0.15 2.83 3.84 -1.26 -1.09 114.94 122.39 2phy s ASN 61 Ca 0.52 1.02 -0.17 0.00 0.21 0.00 0.00 52.86 54.45 2phy s ASN 61 Cb -0.11 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 2phy s ASN 61 CO 0.44 -0.35 1.81 0.15 -2.79 0.00 0.00 177.10 176.36 2phy h PHE 62 N 7.41 0.47 0.01 0.43 3.57 -1.12 -0.72 116.94 126.99 2phy h PHE 62 Ca -0.30 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.01 2phy h PHE 62 Cb 1.13 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2phy h PHE 62 CO 0.72 0.30 -0.96 0.74 -2.23 0.00 0.00 178.31 176.88 2phy h PHE 63 N 0.50 0.04 0.06 0.41 0.04 -1.83 0.43 116.94 116.59 2phy h PHE 63 Ca 0.14 -0.03 -0.35 0.00 2.80 0.00 0.00 57.97 60.53 2phy h PHE 63 Cb -0.05 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 2phy h PHE 63 CO -0.05 0.97 -1.95 1.17 -0.60 0.00 0.00 178.31 177.85 2phy n LYS 64 N -3.43 0.67 -0.09 1.51 4.81 -1.22 -4.12 118.16 116.29 2phy n LYS 64 Ca -0.01 0.33 -0.12 0.00 -0.87 0.00 0.00 58.31 57.64 2phy n LYS 64 Cb 0.90 -1.66 -0.05 0.00 0.02 0.00 0.00 35.03 34.24 2phy n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2phy n ASP 65 N -3.79 1.89 0.09 3.14 8.00 -0.32 -4.69 116.55 120.87 2phy n ASP 65 Ca -0.37 0.44 -0.22 0.00 0.71 0.00 0.00 54.79 55.36 2phy n ASP 65 Cb 0.92 -0.82 -0.15 0.00 -0.02 0.00 0.00 41.12 41.05 2phy n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2phy h VAL 66 N -1.00 1.42 -2.12 2.53 2.07 -1.42 -3.42 116.25 114.32 2phy h VAL 66 Ca -0.15 -2.59 -0.57 0.00 0.82 0.00 0.00 66.70 64.21 2phy h VAL 66 Cb 0.97 3.13 -0.41 0.00 -1.52 0.00 0.00 31.29 33.47 2phy h VAL 66 CO -0.09 0.75 -0.86 0.00 0.02 0.00 0.00 177.57 177.39 2phy n ALA 67 N -2.69 3.33 0.28 1.67 0.00 0.15 -4.91 120.51 118.34 2phy n ALA 67 Ca -0.15 -4.11 0.15 0.00 0.00 0.00 0.00 53.44 49.33 2phy n ALA 67 Cb 0.93 -0.85 0.88 0.00 0.00 0.00 0.00 19.45 20.42 2phy n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2phy h PRO 68 N 3.73 0.00 0.00 0.00 0.13 -1.77 -0.36 132.00 133.74 2phy h PRO 68 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2phy h PRO 68 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2phy h PRO 68 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2phy n THR 70 N -2.68 0.00 -2.60 0.00 -2.24 -0.14 -4.67 114.28 101.94 2phy n THR 70 Ca -0.00 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 2phy n THR 70 Cb 0.19 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 2phy n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2phy s ASP 71 N -2.62 6.68 0.20 3.42 -1.08 -0.55 -1.34 116.67 121.39 2phy s ASP 71 Ca 0.21 -1.99 -0.23 0.00 -0.52 0.00 0.00 52.55 50.02 2phy s ASP 71 Cb 0.19 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 39.13 2phy s ASP 71 CO 0.57 -1.31 0.70 -0.94 0.52 0.00 0.00 175.17 174.72 2phy s SER 72 N 4.51 -0.38 0.52 -0.34 1.04 -1.26 -4.97 113.70 112.81 2phy s SER 72 Ca 0.49 -0.31 0.22 0.00 0.48 0.00 0.00 55.95 56.83 2phy s SER 72 Cb 0.02 0.64 1.39 0.00 0.10 0.00 0.00 66.02 68.16 2phy s SER 72 CO -0.01 -1.11 2.11 -0.65 0.98 0.00 0.00 173.24 174.55 2phy h PRO 73 N 2.00 0.00 0.00 4.02 0.11 -1.94 -0.19 132.00 136.00 2phy h PRO 73 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2phy h PRO 73 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2phy h PRO 73 CO 0.30 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.57 2phy n GLU 74 N -4.03 0.19 0.00 1.05 -0.58 -1.26 -3.08 120.64 112.94 2phy n GLU 74 Ca -0.02 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2phy n GLU 74 Cb 0.18 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 2phy n GLU 74 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2phy n PHE 75 N -2.13 0.00 -0.33 -0.32 -0.00 -1.09 -4.71 117.46 108.88 2phy n PHE 75 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.56 2phy n PHE 75 Cb 0.33 0.15 0.26 0.00 -0.00 0.00 0.00 39.48 40.22 2phy n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 2phy h TYR 76 N 0.00 1.07 -0.83 -5.13 3.20 -0.69 -0.76 116.97 113.84 2phy h TYR 76 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2phy h TYR 76 Cb 0.00 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 37.88 2phy h TYR 76 CO 0.00 0.47 0.55 0.78 -1.64 0.00 0.00 178.16 178.32 2phy h GLY 77 N 0.98 1.17 1.31 1.82 0.00 -1.01 0.41 103.07 107.74 2phy h GLY 77 Ca 0.45 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 47.17 2phy h GLY 77 CO -0.21 0.41 -0.60 0.50 0.00 0.00 0.00 176.54 176.64 2phy h LYS 78 N 1.10 0.71 -0.04 4.80 1.57 -1.10 -2.32 116.57 121.29 2phy h LYS 78 Ca 0.31 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2phy h LYS 78 Cb -0.10 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2phy h LYS 78 CO -0.07 1.10 0.01 0.35 -0.57 0.00 0.00 179.45 180.27 2phy h PHE 79 N 0.53 0.06 -0.03 -1.35 3.57 -0.69 -1.87 116.94 117.16 2phy h PHE 79 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2phy h PHE 79 Cb 1.19 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2phy h PHE 79 CO 0.06 0.20 -0.30 1.57 -2.23 0.00 0.00 178.31 177.62 2phy h LYS 80 N -0.10 0.05 -0.43 1.11 5.09 -0.95 -1.01 116.57 120.33 2phy h LYS 80 Ca 0.01 -0.02 -0.12 0.00 0.09 0.00 0.00 60.65 60.61 2phy h LYS 80 Cb 0.17 -0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.48 2phy h LYS 80 CO -0.00 0.35 -0.20 0.93 -2.09 0.00 0.00 179.45 178.43 2phy h GLU 81 N 0.05 0.90 -0.46 0.07 5.08 -1.32 -2.54 114.58 116.35 2phy h GLU 81 Ca 0.01 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 57.87 2phy h GLU 81 Cb 0.56 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2phy h GLU 81 CO 0.04 1.04 -0.13 0.78 -1.00 0.00 0.00 179.01 179.74 2phy h GLY 82 N 0.73 0.98 0.98 -3.84 0.00 -0.77 -2.22 103.07 98.92 2phy h GLY 82 Ca 0.10 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 2phy h GLY 82 CO 0.06 0.75 0.21 -2.08 0.00 0.00 0.00 176.54 175.49 2phy h VAL 83 N 0.75 1.22 -0.37 4.60 2.07 -1.18 -0.40 116.25 122.93 2phy h VAL 83 Ca 0.11 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2phy h VAL 83 Cb 0.69 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2phy h VAL 83 CO 0.05 0.25 -0.14 0.00 0.02 0.00 0.00 177.57 177.76 2phy h ALA 84 N 1.06 1.08 0.00 1.67 0.00 -1.42 -2.80 119.26 118.85 2phy h ALA 84 Ca 0.18 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2phy h ALA 84 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2phy h ALA 84 CO -0.01 0.56 -0.19 0.77 0.00 0.00 0.00 179.25 180.38 2phy h SER 85 N 0.59 0.00 0.00 0.00 0.02 -1.22 -3.48 113.55 109.47 2phy h SER 85 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2phy h SER 85 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2phy h SER 85 CO 0.04 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.53 2phy n GLY 86 N 1.13 0.49 3.29 -3.77 0.00 -0.20 -5.02 105.19 101.11 2phy n GLY 86 Ca 0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2phy n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2phy s ASN 87 N -2.44 -0.44 -0.27 1.61 2.20 -0.94 -5.04 114.94 109.61 2phy s ASN 87 Ca 0.00 0.83 -0.14 0.00 -0.94 0.00 0.00 52.86 52.61 2phy s ASN 87 Cb 0.00 0.82 0.09 0.00 -2.00 0.00 0.00 41.25 40.15 2phy s ASN 87 CO 0.00 -0.15 0.66 -0.22 -2.94 0.00 0.00 177.10 174.45 2phy s LEU 88 N 0.45 -0.91 -0.35 3.54 2.96 -1.26 -4.38 118.68 118.74 2phy s LEU 88 Ca -0.02 1.47 0.04 0.00 -0.22 0.00 0.00 54.13 55.40 2phy s LEU 88 Cb -0.04 2.28 0.19 0.00 0.50 0.00 0.00 46.19 49.12 2phy s LEU 88 CO -0.02 -0.23 0.70 0.54 -1.32 0.00 0.00 176.35 176.01 2phy s ASN 89 N 1.83 -1.35 -0.02 3.68 4.22 -1.22 -1.42 114.94 120.66 2phy s ASN 89 Ca -0.09 -0.29 -0.07 0.00 -2.14 0.00 0.00 52.86 50.27 2phy s ASN 89 Cb -0.06 1.77 0.01 0.00 1.28 0.00 0.00 41.25 44.24 2phy s ASN 89 CO -0.19 -0.19 0.16 0.28 -2.04 0.00 0.00 177.10 175.11 2phy s THR 90 N 2.32 0.06 -0.03 0.54 -1.32 -0.42 -5.00 115.64 111.78 2phy s THR 90 Ca 0.15 -0.48 0.03 0.00 -1.21 0.00 0.00 61.69 60.17 2phy s THR 90 Cb -0.05 -0.40 0.01 0.00 -1.51 0.00 0.00 72.50 70.55 2phy s THR 90 CO -0.16 -0.27 -0.10 -0.32 -2.21 0.00 0.00 174.62 171.56 2phy s MET 91 N -0.96 1.11 0.15 7.08 1.75 -1.26 -0.54 119.30 126.62 2phy s MET 91 Ca -0.11 -0.33 -0.23 0.00 -1.25 0.00 0.00 55.69 53.77 2phy s MET 91 Cb -0.06 -1.01 0.07 0.00 2.84 0.00 0.00 34.83 36.67 2phy s MET 91 CO 0.01 0.10 0.60 -0.59 -0.65 0.00 0.00 175.02 174.50 2phy s PHE 92 N 0.28 -0.54 0.26 4.11 -0.71 -0.34 -4.99 117.98 116.04 2phy s PHE 92 Ca -0.05 0.36 -0.11 0.00 -1.04 0.00 0.00 56.93 56.09 2phy s PHE 92 Cb -0.10 0.55 -0.08 0.00 -1.21 0.00 0.00 43.02 42.18 2phy s PHE 92 CO 0.01 -0.84 0.60 -1.21 -1.34 0.00 0.00 175.22 172.44 2phy s GLU 93 N -3.62 3.85 0.13 1.99 2.02 -1.26 -0.26 118.70 121.54 2phy s GLU 93 Ca 0.00 0.37 -0.15 0.00 0.02 0.00 0.00 54.97 55.22 2phy s GLU 93 Cb -0.01 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.66 2phy s GLU 93 CO -0.12 0.27 0.37 -0.47 0.02 0.00 0.00 175.26 175.33 2phy s TYR 94 N -1.87 -0.11 -0.19 1.61 5.04 -0.31 -4.92 117.35 116.59 2phy s TYR 94 Ca 0.49 -0.23 -0.01 0.00 -2.44 0.00 0.00 57.07 54.88 2phy s TYR 94 Cb -0.11 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.40 2phy s TYR 94 CO 0.20 -0.69 -0.12 0.99 -1.34 0.00 0.00 175.55 174.59 2phy s THR 95 N -3.82 2.78 -0.20 4.34 2.01 -1.26 -0.96 115.64 118.52 2phy s THR 95 Ca 0.04 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 2phy s THR 95 Cb 0.02 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 2phy s THR 95 CO -0.11 0.48 0.55 -0.36 -0.69 0.00 0.00 174.62 174.50 2phy s PHE 96 N 1.24 3.37 0.00 4.92 0.08 -0.31 -4.91 117.98 122.36 2phy s PHE 96 Ca 0.03 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.88 2phy s PHE 96 Cb -0.14 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.60 2phy s PHE 96 CO -0.06 -0.13 0.88 -0.40 -0.10 0.00 0.00 175.22 175.42 2phy n ASP 97 N 4.90 0.00 -4.58 1.36 5.68 -1.26 -1.07 116.55 121.57 2phy n ASP 97 Ca -0.04 -1.78 -0.41 0.00 -0.50 0.00 0.00 54.79 52.06 2phy n ASP 97 Cb 0.50 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.25 2phy n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2phy s TYR 98 N 0.00 3.20 -1.50 2.11 5.04 -1.26 -4.24 117.35 120.70 2phy s TYR 98 Ca 0.00 0.41 -0.04 0.00 -2.44 0.00 0.00 57.07 55.00 2phy s TYR 98 Cb 0.00 -2.94 0.02 0.00 0.35 0.00 0.00 41.96 39.39 2phy s TYR 98 CO 0.00 -0.49 0.39 1.04 -1.34 0.00 0.00 175.55 175.16 2phy n GLN 99 N 5.79 -3.67 -3.69 4.97 6.02 -1.26 -4.93 117.38 120.61 2phy n GLN 99 Ca -0.03 0.82 -0.09 0.00 -0.01 0.00 0.00 57.00 57.68 2phy n GLN 99 Cb 0.49 -5.58 -0.02 0.00 1.02 0.00 0.00 30.24 26.14 2phy n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2phy s MET 100 N -5.55 1.55 0.15 -1.09 0.23 -1.26 -5.10 119.30 108.24 2phy s MET 100 Ca 0.22 -0.79 -0.31 0.00 -1.03 0.00 0.00 55.69 53.79 2phy s MET 100 Cb -0.10 0.59 -0.09 0.00 -1.53 0.00 0.00 34.83 33.70 2phy s MET 100 CO 0.28 -0.70 1.41 0.99 -2.03 0.00 0.00 175.02 174.97 2phy s THR 101 N -3.85 3.09 -0.10 3.16 2.01 -1.26 -4.77 115.64 113.92 2phy s THR 101 Ca 0.07 0.82 -0.36 0.00 0.31 0.00 0.00 61.69 62.52 2phy s THR 101 Cb -0.04 -3.52 -0.14 0.00 0.01 0.00 0.00 72.50 68.81 2phy s THR 101 CO -0.01 0.08 1.74 -2.65 -0.69 0.00 0.00 174.62 173.09 2phy n PRO 102 N 3.53 1.73 -4.17 4.92 -0.02 -1.26 -4.77 135.00 134.95 2phy n PRO 102 Ca 0.10 0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 2phy n PRO 102 Cb 0.41 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 2phy n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2phy s THR 103 N 3.10 1.57 -0.02 3.45 2.01 -0.23 -4.97 115.64 120.54 2phy s THR 103 Ca 0.92 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 2phy s THR 103 Cb -0.84 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2phy s THR 103 CO 0.54 0.46 0.98 -0.75 -0.69 0.00 0.00 174.62 175.15 2phy s LYS 104 N 1.31 4.54 0.13 4.92 2.20 -1.26 -1.16 119.74 130.42 2phy s LYS 104 Ca 0.01 1.40 0.01 0.00 -0.36 0.00 0.00 55.97 57.03 2phy s LYS 104 Cb -0.14 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 2phy s LYS 104 CO -0.08 -0.09 -0.01 0.14 -0.36 0.00 0.00 175.35 174.96 2phy s VAL 105 N 1.15 0.52 -0.18 4.02 -7.23 -0.14 -2.94 120.40 115.61 2phy s VAL 105 Ca 0.51 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.69 2phy s VAL 105 Cb -0.21 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2phy s VAL 105 CO 0.26 -0.63 0.01 -0.75 -0.31 0.00 0.00 175.10 173.68 2phy s LYS 106 N -3.92 3.79 -0.08 4.82 2.20 0.28 -1.16 119.74 125.66 2phy s LYS 106 Ca 0.19 -0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.38 2phy s LYS 106 Cb 0.06 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 2phy s LYS 106 CO -0.00 0.21 -0.15 0.08 -0.36 0.00 0.00 175.35 175.12 2phy s VAL 107 N 0.50 2.94 -0.18 4.02 1.01 0.64 -1.87 120.40 127.46 2phy s VAL 107 Ca -0.00 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2phy s VAL 107 Cb -0.14 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.10 2phy s VAL 107 CO 0.02 0.56 -0.11 -2.28 0.00 0.00 0.00 175.10 173.29 2phy s HIS 108 N -0.21 2.26 -0.17 5.22 2.46 -0.09 -1.20 115.29 123.55 2phy s HIS 108 Ca 0.00 -1.41 -0.06 0.00 0.47 0.00 0.00 55.06 54.06 2phy s HIS 108 Cb -0.13 -1.59 -0.03 0.00 -0.13 0.00 0.00 32.58 30.69 2phy s HIS 108 CO 0.03 -0.70 0.02 -1.64 -2.47 0.00 0.00 174.74 169.98 2phy s MET 109 N 1.45 3.84 -0.10 2.88 -1.94 0.30 -0.30 119.30 125.43 2phy s MET 109 Ca 0.01 -0.42 -0.09 0.00 -1.71 0.00 0.00 55.69 53.48 2phy s MET 109 Cb -0.15 -3.08 0.03 0.00 2.01 0.00 0.00 34.83 33.64 2phy s MET 109 CO -0.09 0.26 0.27 0.21 -0.01 0.00 0.00 175.02 175.66 2phy s LYS 110 N 0.37 0.31 0.26 2.03 2.20 -0.54 -1.30 119.74 123.06 2phy s LYS 110 Ca -0.00 0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 55.72 2phy s LYS 110 Cb -0.13 0.12 -0.10 0.00 -1.51 0.00 0.00 37.83 36.21 2phy s LYS 110 CO 0.01 -0.05 1.45 0.21 -0.36 0.00 0.00 175.35 176.61 2phy s LYS 111 N 0.29 4.25 0.87 4.03 2.20 -0.51 0.12 119.74 130.99 2phy s LYS 111 Ca -0.01 2.34 -0.12 0.00 -0.36 0.00 0.00 55.97 57.82 2phy s LYS 111 Cb -0.03 -3.09 0.11 0.00 -1.51 0.00 0.00 37.83 33.31 2phy s LYS 111 CO -0.01 -0.43 1.12 0.00 -0.36 0.00 0.00 175.35 175.67 2phy s ALA 112 N -0.12 1.96 0.27 3.13 0.00 -0.39 -4.80 121.76 121.82 2phy s ALA 112 Ca 0.59 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.19 2phy s ALA 112 Cb -0.43 -3.07 0.38 0.00 0.00 0.00 0.00 23.12 20.01 2phy s ALA 112 CO 0.45 -2.06 1.70 1.25 0.00 0.00 0.00 175.76 177.09 2phy h LEU 113 N -1.34 0.47-10.26 0.00 6.46 -1.87 -3.44 115.31 105.33 2phy h LEU 113 Ca -0.49 -0.17 -0.50 0.00 -0.12 0.00 0.00 57.88 56.60 2phy h LEU 113 Cb 1.31 -0.13 0.19 0.00 -0.73 0.00 0.00 40.66 41.29 2phy h LEU 113 CO 0.61 0.75 0.19 -0.55 -0.62 0.00 0.00 178.44 178.82 2phy s SER 114 N -6.83 2.74 0.00 1.25 0.15 -1.26 -5.01 113.70 104.74 2phy s SER 114 Ca -0.07 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2phy s SER 114 Cb 0.13 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 2phy s SER 114 CO 0.79 -3.16 0.79 0.61 1.20 0.00 0.00 173.24 173.46 2phy n GLY 115 N -0.02 -2.76 2.76 9.45 0.00 -1.26 -4.19 105.19 109.18 2phy n GLY 115 Ca 0.09 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2phy n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2phy n ASP 116 N -1.46 6.26 -3.93 1.61 2.03 -1.26 -4.95 116.55 114.85 2phy n ASP 116 Ca 0.00 -3.70 -0.10 0.00 0.52 0.00 0.00 54.79 51.51 2phy n ASP 116 Cb 0.00 -0.92 -0.11 0.00 -0.72 0.00 0.00 41.12 39.37 2phy n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2phy s SER 117 N -2.17 0.14 0.01 1.67 1.04 -1.26 -3.36 113.70 109.77 2phy s SER 117 Ca 0.44 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.56 2phy s SER 117 Cb 0.25 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 2phy s SER 117 CO -0.16 -0.26 -0.04 -0.31 0.98 0.00 0.00 173.24 173.45 2phy s TYR 118 N -1.14 0.37 0.01 5.02 1.51 0.31 -1.26 117.35 122.17 2phy s TYR 118 Ca -0.12 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2phy s TYR 118 Cb -0.08 -0.24 -0.04 0.00 -0.11 0.00 0.00 41.96 41.50 2phy s TYR 118 CO -0.00 -0.06 0.16 -1.58 -1.11 0.00 0.00 175.55 172.96 2phy s TRP 119 N -0.62 3.46 -0.18 2.71 0.52 0.12 -0.70 118.94 124.25 2phy s TRP 119 Ca -0.04 0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.37 2phy s TRP 119 Cb -0.05 -1.78 0.04 0.00 -1.15 0.00 0.00 33.47 30.53 2phy s TRP 119 CO -0.00 0.61 -0.07 0.08 0.02 0.00 0.00 176.95 177.58 2phy s VAL 120 N -1.33 1.32 -0.03 4.03 1.01 0.01 -1.47 120.40 123.94 2phy s VAL 120 Ca 0.28 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2phy s VAL 120 Cb -0.13 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2phy s VAL 120 CO 0.19 0.15 -0.00 -0.36 0.00 0.00 0.00 175.10 175.09 2phy s PHE 121 N 1.54 3.09 -0.01 5.22 0.08 0.59 -0.76 117.98 127.74 2phy s PHE 121 Ca 0.00 0.11 -0.00 0.00 0.12 0.00 0.00 56.93 57.15 2phy s PHE 121 Cb -0.15 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2phy s PHE 121 CO -0.08 0.46 0.02 0.08 -0.10 0.00 0.00 175.22 175.60 2phy s VAL 122 N -1.02 -0.02 0.03 -0.44 1.01 -0.17 -0.91 120.40 118.87 2phy s VAL 122 Ca 0.18 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 2phy s VAL 122 Cb -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 2phy s VAL 122 CO 0.08 0.03 0.08 -1.59 0.00 0.00 0.00 175.10 173.70 2phy s LYS 123 N 0.32 0.54 0.50 2.72 -2.85 -0.78 -0.52 119.74 119.66 2phy s LYS 123 Ca -0.03 -0.69 -0.21 0.00 -1.00 0.00 0.00 55.97 54.05 2phy s LYS 123 Cb -0.04 0.21 -0.07 0.00 -2.06 0.00 0.00 37.83 35.87 2phy s LYS 123 CO -0.01 -0.13 1.12 1.03 0.10 0.00 0.00 175.35 177.46 2phy s ARG 124 N -2.29 3.63 0.00 1.78 0.52 -1.26 -0.56 118.95 120.77 2phy s ARG 124 Ca -0.08 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 2phy s ARG 124 Cb -0.03 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.25 2phy s ARG 124 CO -0.03 -0.62 0.23 1.33 0.02 0.00 0.00 175.30 176.23