#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 -2.31 -3.41 3.17 2.13 -1.26 -4.92 120.64 114.04 3phy n GLU 2 Ca 0.00 0.67 -0.44 0.00 0.66 0.00 0.00 57.16 58.05 3phy n GLU 2 Cb 0.00 -5.08 -0.05 0.00 0.27 0.00 0.00 31.44 26.59 3phy n GLU 2 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 3phy s HIS 3 N -3.45 3.57 -0.21 4.31 3.76 -1.26 -4.98 115.29 117.03 3phy s HIS 3 Ca 0.40 -1.96 -0.12 0.00 -0.15 0.00 0.00 55.06 53.23 3phy s HIS 3 Cb -0.09 -3.68 0.07 0.00 1.11 0.00 0.00 32.58 29.99 3phy s HIS 3 CO 0.80 -0.97 0.52 0.54 -0.85 0.00 0.00 174.74 174.77 3phy s VAL 4 N 0.55 -0.08 -0.04 -0.90 0.11 -1.26 -5.03 120.40 113.75 3phy s VAL 4 Ca 0.13 0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.21 3phy s VAL 4 Cb -0.18 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 3phy s VAL 4 CO -0.05 0.03 0.06 0.00 -3.33 0.00 0.00 175.10 171.81 3phy n ALA 5 N 4.38 -1.12 -0.88 1.54 0.00 -1.26 -1.70 120.51 121.48 3phy n ALA 5 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3phy n ALA 5 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3phy n ALA 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3phy n PHE 6 N 0.04 0.00 -2.79 0.00 3.72 -1.26 -0.88 117.46 116.29 3phy n PHE 6 Ca -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 3phy n PHE 6 Cb 0.06 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.65 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3phy n GLY 7 N 0.00 1.71 3.67 1.37 0.00 -1.18 -4.99 105.19 105.77 3phy n GLY 7 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 3phy n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3phy s SER 8 N -3.57 3.02 -0.83 1.61 1.04 -0.06 -4.96 113.70 109.95 3phy s SER 8 Ca 0.27 1.77 0.02 0.00 0.48 0.00 0.00 55.95 58.48 3phy s SER 8 Cb 0.36 -2.38 0.33 0.00 0.10 0.00 0.00 66.02 64.43 3phy s SER 8 CO -0.02 -2.97 1.41 -0.62 0.98 0.00 0.00 173.24 172.03 3phy n GLU 9 N -4.12 4.41 -3.10 4.02 1.02 -1.26 -4.84 120.64 116.77 3phy n GLU 9 Ca 0.08 -4.75 -0.05 0.00 -0.02 0.00 0.00 57.16 52.41 3phy n GLU 9 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 3phy n GLU 9 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3phy n ASP 10 N -0.08 -7.49 0.05 1.62 9.92 -1.26 -4.82 116.55 114.49 3phy n ASP 10 Ca 0.39 -0.02 -0.02 0.00 -0.53 0.00 0.00 54.79 54.61 3phy n ASP 10 Cb 0.32 -4.87 -0.01 0.00 -0.64 0.00 0.00 41.12 35.92 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 0.80 0.00 -0.82 0.53 1.08 -1.96 -2.74 117.51 114.39 3phy h ILE 11 Ca -0.08 -0.20 0.17 0.00 -0.39 0.00 0.00 64.86 64.36 3phy h ILE 11 Cb 1.05 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.65 3phy h ILE 11 CO 0.28 0.00 -0.18 -1.84 -0.69 0.00 0.00 178.15 175.72 3phy n GLU 12 N -2.97 -0.07 -0.11 2.37 0.28 -1.26 0.12 120.64 118.99 3phy n GLU 12 Ca -0.02 1.28 -0.11 0.00 -0.16 0.00 0.00 57.16 58.15 3phy n GLU 12 Cb 0.06 -1.92 -0.03 0.00 1.43 0.00 0.00 31.44 30.98 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 0.60 0.47 -1.84 2.35 -1.95 -1.69 115.58 113.52 3phy h ASN 13 Ca 0.40 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3phy h ASN 13 Cb 0.64 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3phy h ASN 13 CO -0.84 0.78 0.00 0.41 -1.65 0.00 0.00 177.43 176.13 3phy n THR 14 N -4.50 0.74 -0.02 2.81 -1.04 0.32 -2.50 114.28 110.09 3phy n THR 14 Ca -0.02 0.18 0.03 0.00 -2.04 0.00 0.00 64.05 62.20 3phy n THR 14 Cb 0.29 -0.90 -0.14 0.00 -1.82 0.00 0.00 70.33 67.75 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 -1.42 0.19 0.09 -4.42 4.77 0.27 -1.20 117.00 115.29 3phy n LEU 15 Ca 0.05 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 3phy n LEU 15 Cb 0.17 0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.39 3phy n LEU 15 CO 0.14 0.17 0.17 0.00 -1.33 0.00 0.00 177.39 176.54 3phy h ALA 16 N 1.60 0.61 0.00 -1.18 0.00 -1.02 -3.37 119.26 115.89 3phy h ALA 16 Ca -0.20 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3phy h ALA 16 Cb 1.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3phy h ALA 16 CO 0.02 0.88 -0.77 1.17 0.00 0.00 0.00 179.25 180.54 3phy n LYS 17 N -3.16 1.60 -1.07 0.00 4.81 -1.13 -5.10 118.16 114.11 3phy n LYS 17 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3phy n LYS 17 Cb 0.82 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 34.99 3phy n LYS 17 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 3phy n MET 18 N -1.38 -2.92 0.00 1.64 1.56 -0.34 -5.07 117.12 110.61 3phy n MET 18 Ca 0.00 2.23 0.00 0.00 -0.27 0.00 0.00 57.70 59.66 3phy n MET 18 Cb 0.00 -2.65 0.00 0.00 2.15 0.00 0.00 33.22 32.72 3phy n MET 18 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3phy n ASP 19 N -1.63 0.00 -2.98 6.12 8.00 -1.25 -4.89 116.55 119.92 3phy n ASP 19 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3phy n ASP 19 Cb 0.17 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.00 -7.55 -1.07 -2.24 8.00 -1.26 -2.44 116.55 109.98 3phy n ASP 20 Ca 0.00 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.73 3phy n ASP 20 Cb 0.00 -4.81 -0.05 0.00 -0.02 0.00 0.00 41.12 36.25 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3phy n GLY 21 N -0.43 1.16 2.69 0.44 0.00 -1.26 -2.46 105.19 105.33 3phy n GLY 21 Ca 0.07 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 3phy n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3phy n GLN 22 N -2.57 -2.68 -3.05 1.61 6.02 -1.14 -2.26 117.38 113.32 3phy n GLN 22 Ca -0.13 0.60 -0.03 0.00 -0.01 0.00 0.00 57.00 57.42 3phy n GLN 22 Cb 0.46 -5.24 0.01 0.00 1.02 0.00 0.00 30.24 26.49 3phy n GLN 22 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3phy n LEU 23 N -3.10 -6.40 0.00 1.08 -0.00 -1.02 -4.57 117.00 102.98 3phy n LEU 23 Ca -0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 3phy n LEU 23 Cb 0.60 -3.22 0.00 0.00 -0.00 0.00 0.00 43.42 40.80 3phy n LEU 23 CO 0.27 -0.83 0.00 0.47 -0.00 0.00 0.00 177.39 177.30 3phy n ASP 24 N -2.06 0.00 -1.80 1.96 9.92 -0.96 -4.69 116.55 118.92 3phy n ASP 24 Ca -0.01 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.19 3phy n ASP 24 Cb 0.53 0.00 0.25 0.00 -0.64 0.00 0.00 41.12 41.26 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3phy n GLY 25 N 0.02 3.30 0.89 0.44 0.00 -1.26 -2.11 105.19 106.47 3phy n GLY 25 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.08 0.00 -1.77 0.99 4.32 -1.26 -4.94 117.00 114.26 3phy n LEU 26 Ca 0.34 -0.33 0.06 0.00 -0.02 0.00 0.00 56.01 56.06 3phy n LEU 26 Cb 1.22 -0.24 0.38 0.00 -1.62 0.00 0.00 43.42 43.16 3phy n LEU 26 CO 0.37 -0.79 0.87 0.00 -1.22 0.00 0.00 177.39 176.62 3phy n ALA 27 N -3.23 3.86 -3.62 -1.18 0.00 -1.26 -4.73 120.51 110.35 3phy n ALA 27 Ca -0.05 -2.04 -0.12 0.00 0.00 0.00 0.00 53.44 51.23 3phy n ALA 27 Cb 0.14 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.82 -0.84 0.29 0.00 -0.71 -1.26 -3.23 117.98 109.41 3phy s PHE 28 Ca 0.53 1.93 -0.29 0.00 -1.04 0.00 0.00 56.93 58.06 3phy s PHE 28 Cb 0.41 0.37 -0.10 0.00 -1.21 0.00 0.00 43.02 42.49 3phy s PHE 28 CO 0.15 -0.41 1.18 0.20 -1.34 0.00 0.00 175.22 174.99 3phy s GLY 29 N 0.74 3.02 -0.57 1.99 0.00 -1.01 -4.76 107.32 106.74 3phy s GLY 29 Ca -0.03 1.03 0.01 0.00 0.00 0.00 0.00 44.72 45.73 3phy s GLY 29 CO -0.05 1.66 0.35 0.00 0.00 0.00 0.00 173.10 175.06 3phy s ALA 30 N -1.09 3.45 0.19 3.20 0.00 -1.02 -1.50 121.76 124.98 3phy s ALA 30 Ca 0.46 -3.30 -0.09 0.00 0.00 0.00 0.00 51.96 49.03 3phy s ALA 30 Cb -0.35 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 3phy s ALA 30 CO 0.45 -2.06 0.50 0.96 0.00 0.00 0.00 175.76 175.61 3phy s ILE 31 N -0.26 4.98 0.42 0.00 -5.25 -1.15 -4.31 121.20 115.63 3phy s ILE 31 Ca 0.17 0.43 0.07 0.00 -0.99 0.00 0.00 60.65 60.33 3phy s ILE 31 Cb -0.23 -3.63 -0.06 0.00 2.95 0.00 0.00 42.46 41.48 3phy s ILE 31 CO -0.02 0.02 0.10 -1.10 -1.79 0.00 0.00 174.94 172.15 3phy s GLN 32 N -2.60 2.10 -0.09 0.37 -1.52 -0.57 -1.31 119.66 116.05 3phy s GLN 32 Ca 0.44 -1.99 -0.17 0.00 -1.95 0.00 0.00 55.36 51.68 3phy s GLN 32 Cb -0.12 -1.81 0.04 0.00 -0.22 0.00 0.00 33.01 30.90 3phy s GLN 32 CO 0.21 -0.11 0.42 -0.51 -0.25 0.00 0.00 175.29 175.06 3phy s LEU 33 N -3.82 0.39 -0.08 2.90 1.43 0.97 -2.82 118.68 117.64 3phy s LEU 33 Ca 0.37 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 3phy s LEU 33 Cb 0.06 1.57 -0.02 0.00 0.03 0.00 0.00 46.19 47.83 3phy s LEU 33 CO 0.20 -0.34 -0.17 -1.81 0.23 0.00 0.00 176.35 174.46 3phy s ASP 34 N -0.63 3.76 0.00 2.29 1.11 -0.56 -2.43 116.67 120.22 3phy s ASP 34 Ca -0.07 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.32 3phy s ASP 34 Cb -0.04 -1.16 0.00 0.00 1.07 0.00 0.00 42.92 42.79 3phy s ASP 34 CO 0.04 0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.24 3phy n GLY 35 N 2.97 0.00 0.00 0.21 0.00 -1.26 -1.62 105.19 105.49 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 1.02 3.73 0.44 0.00 -0.64 -4.96 105.19 104.77 3phy n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 7.11 0.32 1.61 -0.87 -1.20 -2.24 114.94 117.66 3phy s ASN 38 Ca 0.00 1.33 -0.29 0.00 -1.57 0.00 0.00 52.86 52.33 3phy s ASN 38 Cb 0.00 -2.45 -0.10 0.00 -0.02 0.00 0.00 41.25 38.68 3phy s ASN 38 CO 0.00 -0.08 1.35 -0.51 -2.57 0.00 0.00 177.10 175.29 3phy s ILE 39 N 0.49 2.65 -0.16 0.60 1.10 -1.19 -1.50 121.20 123.19 3phy s ILE 39 Ca 0.39 0.62 0.15 0.00 -0.51 0.00 0.00 60.65 61.31 3phy s ILE 39 Cb -0.19 -3.40 -0.21 0.00 0.15 0.00 0.00 42.46 38.81 3phy s ILE 39 CO 0.21 0.14 0.07 0.18 -2.11 0.00 0.00 174.94 173.43 3phy n LEU 40 N 1.13 0.00 -3.60 8.50 4.77 -1.13 -4.08 117.00 122.59 3phy n LEU 40 Ca 0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 3phy n LEU 40 Cb 0.41 0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 3phy n LEU 40 CO 0.60 0.39 0.50 -1.58 -1.33 0.00 0.00 177.39 175.97 3phy s GLN 41 N -2.44 0.82 0.00 3.23 -0.44 -1.26 -4.95 119.66 114.61 3phy s GLN 41 Ca -0.08 0.71 0.00 0.00 -2.50 0.00 0.00 55.36 53.48 3phy s GLN 41 Cb 0.05 0.39 0.00 0.00 -1.64 0.00 0.00 33.01 31.82 3phy s GLN 41 CO 0.68 -0.15 0.00 0.98 0.50 0.00 0.00 175.29 177.30 3phy n TYR 42 N 2.07 0.00 0.00 1.67 9.36 -1.26 -1.51 117.16 127.49 3phy n TYR 42 Ca -0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.07 3phy n TYR 42 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 3phy n TYR 42 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3phy n ASN 43 N -1.61 0.00 -0.03 2.98 2.85 -1.26 -2.42 115.26 115.76 3phy n ASN 43 Ca 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.33 3phy n ASN 43 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 3phy n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3phy h ALA 44 N 0.00 0.03 -0.79 5.20 0.00 -1.85 -3.13 119.26 118.73 3phy h ALA 44 Ca 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 54.67 3phy h ALA 44 Cb 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 3phy h ALA 44 CO 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 179.25 178.75 3phy h ALA 45 N 0.36 -0.09 -0.42 0.00 0.00 -1.71 0.19 119.26 117.59 3phy h ALA 45 Ca -0.00 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3phy h ALA 45 Cb 0.73 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 3phy h ALA 45 CO 0.01 -0.72 0.14 1.05 0.00 0.00 0.00 179.25 179.74 3phy h GLU 46 N -0.10 0.65 0.00 0.00 4.11 -1.86 -1.28 114.58 116.09 3phy h GLU 46 Ca 0.26 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3phy h GLU 46 Cb 0.56 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3phy h GLU 46 CO -0.83 0.62 0.00 0.41 0.07 0.00 0.00 179.01 179.28 3phy n GLY 47 N -0.70 -0.89 0.12 1.06 0.00 -0.13 -1.87 105.19 102.78 3phy n GLY 47 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 0.35 0.94 1.61 3.58 0.48 0.45 116.42 123.83 3phy h ASP 48 Ca 0.00 -0.64 -0.17 0.00 0.42 0.00 0.00 57.03 56.64 3phy h ASP 48 Cb 0.11 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3phy h ASP 48 CO 0.00 1.56 -0.83 0.40 -2.88 0.00 0.00 179.24 177.49 3phy h ILE 49 N 0.06 1.53 0.00 2.25 1.08 -1.07 -3.35 117.51 118.01 3phy h ILE 49 Ca -0.34 -2.90 -0.05 0.00 -0.39 0.00 0.00 64.86 61.19 3phy h ILE 49 Cb 2.03 2.59 -0.01 0.00 -3.07 0.00 0.00 36.82 38.36 3phy h ILE 49 CO 0.12 0.81 -1.35 0.35 -0.69 0.00 0.00 178.15 177.39 3phy n THR 50 N -3.46 0.19 0.00 -0.27 -2.24 -0.78 -4.97 114.28 102.74 3phy n THR 50 Ca -0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3phy n THR 50 Cb 0.82 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3phy n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3phy n GLY 51 N 2.36 0.42 3.57 3.38 0.00 0.16 -5.00 105.19 110.07 3phy n GLY 51 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3phy n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3phy s ARG 52 N -0.97 2.78 1.04 1.61 0.52 -1.06 -4.86 118.95 118.00 3phy s ARG 52 Ca 0.00 -0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 54.26 3phy s ARG 52 Cb 0.00 -5.20 0.22 0.00 0.52 0.00 0.00 34.95 30.48 3phy s ARG 52 CO 0.00 -3.35 1.09 -0.51 0.02 0.00 0.00 175.30 172.55 3phy s ASP 53 N 6.82 1.92 -0.11 0.23 1.01 -1.26 -3.45 116.67 121.82 3phy s ASP 53 Ca 0.65 1.88 -0.28 0.00 0.71 0.00 0.00 52.55 55.51 3phy s ASP 53 Cb -0.03 -2.46 -0.25 0.00 1.01 0.00 0.00 42.92 41.20 3phy s ASP 53 CO 0.04 -3.68 0.89 1.55 0.21 0.00 0.00 175.17 174.18 3phy h PRO 54 N -2.26 -0.00 0.00 8.23 0.13 -1.93 -1.92 132.00 134.25 3phy h PRO 54 Ca -0.52 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 3phy h PRO 54 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3phy h PRO 54 CO 0.45 0.87 -0.37 -0.22 -0.23 0.00 0.00 178.00 178.51 3phy h LYS 55 N -0.87 0.00 0.13 0.86 3.11 -1.96 -1.86 116.57 115.97 3phy h LYS 55 Ca -0.00 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.62 3phy h LYS 55 Cb 0.87 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.13 3phy h LYS 55 CO 0.00 0.37 -0.93 0.37 -2.81 0.00 0.00 179.45 176.44 3phy h GLN 56 N 0.00 0.41 0.00 1.90 4.15 -1.94 -3.17 115.11 116.46 3phy h GLN 56 Ca -0.00 -0.61 0.00 0.00 0.77 0.00 0.00 58.65 58.81 3phy h GLN 56 Cb 0.68 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.58 3phy h GLN 56 CO 0.05 1.27 0.00 1.33 -1.93 0.00 0.00 178.83 179.54 3phy n VAL 57 N -4.03 0.07 -2.22 2.39 0.24 -0.72 -4.61 118.33 109.44 3phy n VAL 57 Ca -0.14 0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.76 3phy n VAL 57 Cb 0.86 -0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 32.59 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 -2.18 3.79 0.00 1.34 1.01 -0.71 -1.58 121.20 122.86 3phy s ILE 58 Ca 0.34 1.11 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3phy s ILE 58 Cb 0.18 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3phy s ILE 58 CO 0.33 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3phy n GLY 59 N 3.71 2.92 3.74 6.18 0.00 -1.26 -5.01 105.19 115.47 3phy n GLY 59 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.65 4.79 -0.58 1.61 -0.14 -0.62 -4.76 119.74 119.39 3phy s LYS 60 Ca 0.00 1.52 -0.28 0.00 -1.36 0.00 0.00 55.97 55.85 3phy s LYS 60 Cb 0.00 -3.30 0.01 0.00 -1.68 0.00 0.00 37.83 32.87 3phy s LYS 60 CO 0.00 0.39 1.43 1.21 -0.76 0.00 0.00 175.35 177.62 3phy s ASN 61 N -0.81 6.08 0.66 2.83 3.04 -1.26 -3.16 114.94 122.32 3phy s ASN 61 Ca 0.43 0.23 0.35 0.00 0.04 0.00 0.00 52.86 53.91 3phy s ASN 61 Cb -0.26 -2.55 1.93 0.00 -1.54 0.00 0.00 41.25 38.84 3phy s ASN 61 CO 0.32 -1.76 2.10 0.15 -3.04 0.00 0.00 177.10 174.88 3phy h PHE 62 N 11.21 0.00 0.00 0.43 3.57 -1.80 0.86 116.94 131.22 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 1.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3phy h PHE 62 CO 1.04 0.00 -1.97 1.19 -2.23 0.00 0.00 178.31 176.35 3phy n PHE 63 N -3.06 0.00 -2.71 0.41 3.72 -1.26 -2.61 117.46 111.96 3phy n PHE 63 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 3phy n PHE 63 Cb 0.27 -0.48 0.05 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.23 1.30 0.00 -1.08 4.81 -0.13 -3.98 118.16 116.85 3phy n LYS 64 Ca -0.04 -2.97 0.00 0.00 -0.87 0.00 0.00 58.31 54.43 3phy n LYS 64 Cb 0.56 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 34.56 3phy n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3phy n ASP 65 N -0.36 0.00 -0.04 3.14 -0.08 0.28 -4.59 116.55 114.90 3phy n ASP 65 Ca 0.05 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.26 3phy n ASP 65 Cb 0.82 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.26 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3phy n VAL 66 N -0.07 1.31 -3.75 5.18 0.31 -0.35 -4.80 118.33 116.16 3phy n VAL 66 Ca 0.00 0.18 -0.37 0.00 -0.01 0.00 0.00 64.34 64.14 3phy n VAL 66 Cb 0.00 -1.98 -0.11 0.00 -0.91 0.00 0.00 33.84 30.84 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 -2.49 3.17 -2.00 3.52 0.00 -1.07 -4.93 121.76 117.96 3phy s ALA 67 Ca -0.18 -2.46 0.23 0.00 0.00 0.00 0.00 51.96 49.55 3phy s ALA 67 Cb 0.03 -2.45 1.35 0.00 0.00 0.00 0.00 23.12 22.05 3phy s ALA 67 CO 0.25 -1.77 1.75 -0.35 0.00 0.00 0.00 175.76 175.64 3phy n PRO 68 N 4.65 0.79 -0.02 0.00 -0.04 -1.26 -2.91 135.00 136.20 3phy n PRO 68 Ca -0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.47 3phy n PRO 68 Cb 0.41 -1.45 -0.15 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.44 0.09 -1.71 0.00 -2.24 -1.15 -3.98 114.28 102.85 3phy n THR 70 Ca -0.12 0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 3phy n THR 70 Cb 0.74 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.11 7.48 -4.20 3.42 5.68 -1.26 -0.94 116.55 125.62 3phy n ASP 71 Ca 0.16 -3.06 -0.26 0.00 -0.50 0.00 0.00 54.79 51.14 3phy n ASP 71 Cb 0.13 -1.35 -0.08 0.00 -1.14 0.00 0.00 41.12 38.68 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 0.66 2.85 0.00 -1.12 0.01 -1.26 -4.90 113.70 109.95 3phy s SER 72 Ca 0.58 -1.64 0.23 0.00 1.31 0.00 0.00 55.95 56.43 3phy s SER 72 Cb 0.25 0.45 1.38 0.00 0.21 0.00 0.00 66.02 68.30 3phy s SER 72 CO -0.12 -0.89 1.83 -0.81 0.41 0.00 0.00 173.24 173.65 3phy n PRO 73 N -0.91 0.90 -0.04 12.44 -0.04 -1.26 0.28 135.00 146.36 3phy n PRO 73 Ca -0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.36 3phy n PRO 73 Cb 0.65 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.90 2.45 -0.00 0.54 1.02 -1.26 -3.82 120.64 118.66 3phy n GLU 74 Ca 0.17 -0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3phy n GLU 74 Cb 0.08 -1.23 -0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.30 0.00 0.40 -0.32 -0.00 -1.21 -4.07 117.46 109.95 3phy n PHE 75 Ca -0.14 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.44 3phy n PHE 75 Cb 0.76 -0.03 0.51 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 -0.05 0.00 0.72 -5.13 3.20 -0.00 -2.98 116.97 112.73 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 0.05 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.33 3phy h TYR 76 CO -0.02 0.00 -0.35 0.78 -1.64 0.00 0.00 178.16 176.93 3phy h GLY 77 N 2.49 -1.01 2.00 1.82 0.00 -0.27 0.41 103.07 108.51 3phy h GLY 77 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3phy h GLY 77 CO 0.00 -0.37 0.00 0.50 0.00 0.00 0.00 176.54 176.67 3phy h LYS 78 N -1.11 0.00 0.14 4.80 1.79 -1.68 -0.44 116.57 120.08 3phy h LYS 78 Ca -0.10 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.08 3phy h LYS 78 Cb 0.74 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.41 3phy h LYS 78 CO 0.16 0.00 -1.26 0.35 -1.08 0.00 0.00 179.45 177.62 3phy h PHE 79 N 0.00 0.80 0.00 -1.35 3.04 -1.29 -1.00 116.94 117.14 3phy h PHE 79 Ca 0.00 -0.54 0.00 0.00 3.98 0.00 0.00 57.97 61.41 3phy h PHE 79 Cb 0.12 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.57 3phy h PHE 79 CO 0.00 1.40 0.00 1.63 -2.02 0.00 0.00 178.31 179.32 3phy n LYS 80 N -3.69 0.24 -0.08 1.11 5.02 0.09 -1.57 118.16 119.29 3phy n LYS 80 Ca -0.12 0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.00 3phy n LYS 80 Cb 1.01 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.39 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 -1.37 0.69 -0.12 1.97 -0.58 -0.73 -3.22 120.64 117.29 3phy n GLU 81 Ca 0.11 0.21 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 3phy n GLU 81 Cb 0.26 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3phy h GLY 82 N 1.41 1.02 1.09 0.62 0.00 -1.15 0.21 103.07 106.27 3phy h GLY 82 Ca -0.52 -1.06 -0.07 0.00 0.00 0.00 0.00 47.33 45.68 3phy h GLY 82 CO -0.04 0.96 0.15 -2.08 0.00 0.00 0.00 176.54 175.53 3phy h VAL 83 N 0.76 1.26 -0.00 4.60 2.07 -1.47 -0.52 116.25 122.95 3phy h VAL 83 Ca 0.06 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3phy h VAL 83 Cb 1.00 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3phy h VAL 83 CO 0.10 0.38 -0.34 0.00 0.02 0.00 0.00 177.57 177.73 3phy n ALA 84 N -2.46 3.19 0.26 1.67 0.00 -1.14 -3.82 120.51 118.21 3phy n ALA 84 Ca 0.05 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.28 3phy n ALA 84 Cb 0.27 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.32 0.65 -0.05 0.00 2.88 0.73 -4.97 113.62 111.54 3phy n SER 85 Ca 0.08 -0.29 -0.01 0.00 -1.33 0.00 0.00 58.87 57.33 3phy n SER 85 Cb 0.33 1.62 -0.00 0.00 -0.75 0.00 0.00 64.21 65.41 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 1.41 0.40 2.73 0.46 0.00 -0.23 -4.95 105.19 105.01 3phy n GLY 86 Ca -0.01 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 3phy n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3phy n ASN 87 N 1.91 -2.65 -4.65 1.61 5.15 -1.02 -5.06 115.26 110.54 3phy n ASN 87 Ca -0.01 -2.86 -0.43 0.00 -0.60 0.00 0.00 54.58 50.68 3phy n ASN 87 Cb 0.14 1.58 -0.02 0.00 -0.53 0.00 0.00 39.78 40.94 3phy n ASN 87 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3phy s LEU 88 N -0.26 4.11 -0.44 1.20 0.20 -1.23 -4.70 118.68 117.55 3phy s LEU 88 Ca 0.30 1.70 0.07 0.00 0.69 0.00 0.00 54.13 56.89 3phy s LEU 88 Cb 0.18 -3.54 0.18 0.00 -0.43 0.00 0.00 46.19 42.59 3phy s LEU 88 CO -0.18 -0.92 0.68 0.21 -0.29 0.00 0.00 176.35 175.84 3phy s ASN 89 N 2.72 -1.46 0.10 3.68 2.47 -1.25 -0.97 114.94 120.23 3phy s ASN 89 Ca 0.61 -1.05 0.01 0.00 0.42 0.00 0.00 52.86 52.84 3phy s ASN 89 Cb -0.23 1.89 -0.04 0.00 -1.45 0.00 0.00 41.25 41.41 3phy s ASN 89 CO 0.21 -0.13 -0.03 0.28 -3.72 0.00 0.00 177.10 173.72 3phy s THR 90 N 1.54 0.49 -0.08 -5.21 -1.32 -0.88 -5.03 115.64 105.14 3phy s THR 90 Ca 0.20 -1.91 -0.13 0.00 -1.21 0.00 0.00 61.69 58.64 3phy s THR 90 Cb -0.02 -1.77 0.03 0.00 -1.51 0.00 0.00 72.50 69.23 3phy s THR 90 CO -0.07 -0.78 0.33 0.00 -2.21 0.00 0.00 174.62 171.89 3phy s MET 91 N -3.90 0.51 0.15 7.08 0.23 -1.26 -1.98 119.30 120.13 3phy s MET 91 Ca 0.14 0.21 -0.04 0.00 -1.03 0.00 0.00 55.69 54.97 3phy s MET 91 Cb 0.06 0.24 0.02 0.00 -1.53 0.00 0.00 34.83 33.62 3phy s MET 91 CO -0.04 -0.10 0.28 1.97 -2.03 0.00 0.00 175.02 175.10 3phy n PHE 92 N 2.24 -1.33 -3.90 3.16 -1.74 -1.14 -5.03 117.46 109.73 3phy n PHE 92 Ca -0.16 -0.82 -0.35 0.00 -0.56 0.00 0.00 57.45 55.56 3phy n PHE 92 Cb 0.57 0.33 -0.14 0.00 1.52 0.00 0.00 39.48 41.76 3phy n PHE 92 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 3phy s GLU 93 N -2.13 2.83 0.34 3.97 8.01 -1.26 -2.08 118.70 128.38 3phy s GLU 93 Ca 0.08 -1.00 0.01 0.00 0.01 0.00 0.00 54.97 54.08 3phy s GLU 93 Cb -0.01 -3.12 0.01 0.00 -4.31 0.00 0.00 34.13 26.70 3phy s GLU 93 CO 0.06 -0.45 0.11 0.98 0.01 0.00 0.00 175.26 175.97 3phy n TYR 94 N 4.71 0.04 -3.28 1.61 9.36 -1.17 -5.00 117.16 123.44 3phy n TYR 94 Ca -0.15 -1.58 -0.04 0.00 3.32 0.00 0.00 57.90 59.44 3phy n TYR 94 Cb 0.47 -0.25 -0.05 0.00 -0.63 0.00 0.00 39.34 38.87 3phy n TYR 94 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3phy s THR 95 N -2.01 -0.74 -0.12 2.97 2.01 -1.26 -2.70 115.64 113.78 3phy s THR 95 Ca 0.09 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 3phy s THR 95 Cb -0.01 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 3phy s THR 95 CO 0.06 -0.08 0.76 -0.36 -0.69 0.00 0.00 174.62 174.30 3phy s PHE 96 N 2.66 3.49 -0.38 4.92 0.08 -0.77 -4.82 117.98 123.16 3phy s PHE 96 Ca 0.16 1.23 0.11 0.00 0.12 0.00 0.00 56.93 58.55 3phy s PHE 96 Cb -0.15 -2.90 0.40 0.00 -0.57 0.00 0.00 43.02 39.80 3phy s PHE 96 CO -0.18 -0.08 1.22 -3.47 -0.10 0.00 0.00 175.22 172.61 3phy n ASP 97 N 4.53 -1.01 -4.74 1.36 2.03 -1.26 0.09 116.55 117.56 3phy n ASP 97 Ca 0.01 -2.63 -0.41 0.00 0.52 0.00 0.00 54.79 52.28 3phy n ASP 97 Cb 0.50 0.65 -0.05 0.00 -0.72 0.00 0.00 41.12 41.50 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3phy s TYR 98 N -0.72 3.75 0.00 -0.67 -0.85 -1.26 -4.37 117.35 113.23 3phy s TYR 98 Ca 0.24 1.74 0.00 0.00 -0.52 0.00 0.00 57.07 58.53 3phy s TYR 98 Cb 0.41 -3.14 0.00 0.00 0.38 0.00 0.00 41.96 39.61 3phy s TYR 98 CO -0.05 -0.11 0.00 0.00 -1.52 0.00 0.00 175.55 173.87 3phy n GLN 99 N 2.29 -0.20 0.00 -3.49 10.64 -1.26 -4.51 117.38 120.84 3phy n GLN 99 Ca 0.01 -0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 3phy n GLN 99 Cb 0.47 0.18 0.00 0.00 -0.86 0.00 0.00 30.24 30.03 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 -1.83 0.00 0.00 177.06 175.11 3phy n MET 100 N -0.21 0.00 -2.22 2.61 1.56 -1.26 -5.15 117.12 112.44 3phy n MET 100 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.13 3phy n MET 100 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 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 -1.55 4.79 0.59 1.12 -4.23 -1.26 -4.96 115.64 110.14 3phy s THR 101 Ca 0.00 0.60 -0.14 0.00 -1.18 0.00 0.00 61.69 60.98 3phy s THR 101 Cb 0.00 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 3phy s THR 101 CO 0.00 -1.00 1.02 -2.16 -0.54 0.00 0.00 174.62 171.94 3phy s PRO 102 N -4.94 3.59 -0.42 3.99 0.04 -1.26 -4.41 135.00 131.59 3phy s PRO 102 Ca 0.52 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.52 3phy s PRO 102 Cb -0.11 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.52 3phy s PRO 102 CO 0.49 -0.57 0.49 0.99 0.04 0.00 0.00 177.00 178.44 3phy s THR 103 N -2.86 -0.46 0.29 1.26 2.01 0.11 -4.94 115.64 111.05 3phy s THR 103 Ca 0.58 -1.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 3phy s THR 103 Cb -0.12 -0.52 -0.10 0.00 0.01 0.00 0.00 72.50 71.78 3phy s THR 103 CO 0.44 -0.48 1.24 -0.75 -0.69 0.00 0.00 174.62 174.37 3phy s LYS 104 N 1.10 4.46 -0.05 4.92 2.20 -1.26 -1.84 119.74 129.27 3phy s LYS 104 Ca 0.23 2.05 -0.18 0.00 -0.36 0.00 0.00 55.97 57.71 3phy s LYS 104 Cb -0.07 -3.13 0.03 0.00 -1.51 0.00 0.00 37.83 33.16 3phy s LYS 104 CO -0.07 -0.06 0.39 0.14 -0.36 0.00 0.00 175.35 175.40 3phy s VAL 105 N -0.97 0.04 -0.22 4.02 -7.23 -1.10 -1.72 120.40 113.22 3phy s VAL 105 Ca 0.48 -0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 60.06 3phy s VAL 105 Cb -0.37 -0.68 0.01 0.00 0.56 0.00 0.00 36.38 35.90 3phy s VAL 105 CO 0.47 -0.17 1.07 -0.54 -0.31 0.00 0.00 175.10 175.62 3phy s LYS 106 N -1.03 4.26 0.09 4.82 3.01 0.09 -3.02 119.74 127.95 3phy s LYS 106 Ca -0.11 1.40 0.03 0.00 -1.01 0.00 0.00 55.97 56.28 3phy s LYS 106 Cb -0.04 -3.65 -0.04 0.00 -1.01 0.00 0.00 37.83 33.09 3phy s LYS 106 CO 0.05 -0.63 0.12 0.14 0.51 0.00 0.00 175.35 175.54 3phy s VAL 107 N 3.21 4.73 -0.25 3.17 -7.23 -0.88 -0.97 120.40 122.17 3phy s VAL 107 Ca 0.46 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.87 3phy s VAL 107 Cb -0.16 -3.31 0.13 0.00 0.56 0.00 0.00 36.38 33.60 3phy s VAL 107 CO 0.07 0.09 0.34 -2.28 -0.31 0.00 0.00 175.10 173.01 3phy s HIS 108 N -1.48 -0.68 -0.12 2.82 2.46 -0.94 -2.89 115.29 114.47 3phy s HIS 108 Ca 0.31 0.47 -0.02 0.00 0.47 0.00 0.00 55.06 56.28 3phy s HIS 108 Cb -0.12 -0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.14 3phy s HIS 108 CO 0.24 -0.77 -0.04 -1.64 -2.47 0.00 0.00 174.74 170.06 3phy s MET 109 N 2.47 3.31 0.00 2.88 -1.94 -0.84 -1.67 119.30 123.51 3phy s MET 109 Ca 0.11 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 3phy s MET 109 Cb -0.15 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.88 3phy s MET 109 CO -0.20 0.45 0.00 1.17 -0.01 0.00 0.00 175.02 176.43 3phy n LYS 110 N 2.91 0.52 -3.47 2.03 4.81 -0.24 -2.08 118.16 122.64 3phy n LYS 110 Ca -0.18 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.84 3phy n LYS 110 Cb 0.53 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.50 3phy n LYS 110 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3phy s LYS 111 N -1.81 2.66 0.39 1.64 -2.85 -0.14 -1.63 119.74 118.00 3phy s LYS 111 Ca 0.00 -1.72 -0.23 0.00 -1.00 0.00 0.00 55.97 53.02 3phy s LYS 111 Cb 0.00 -4.04 -0.13 0.00 -2.06 0.00 0.00 37.83 31.60 3phy s LYS 111 CO 0.00 -1.22 0.64 0.00 0.10 0.00 0.00 175.35 174.87 3phy n ALA 112 N 5.03 -1.27 0.28 0.59 0.00 -1.10 -4.64 120.51 119.39 3phy n ALA 112 Ca -0.10 0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3phy n ALA 112 Cb 0.41 -1.82 0.24 0.00 0.00 0.00 0.00 19.45 18.28 3phy n ALA 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3phy h LEU 113 N 1.01 0.00 -1.68 0.00 7.12 -1.91 -2.25 115.31 117.59 3phy h LEU 113 Ca -0.40 0.00 0.36 0.00 0.13 0.00 0.00 57.88 57.97 3phy h LEU 113 Cb 1.39 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.47 3phy h LEU 113 CO 0.53 0.00 1.07 0.28 -0.13 0.00 0.00 178.44 180.19 3phy h SER 114 N 0.00 0.00 0.00 1.25 0.02 -1.91 -3.37 113.55 109.54 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 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 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 -1.75 -1.56 2.71 -3.77 0.00 -1.24 -4.91 105.19 94.68 3phy n GLY 115 Ca 0.27 0.54 -0.20 0.00 0.00 0.00 0.00 46.02 46.63 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 -5.51 -3.32 1.61 9.92 -1.07 -4.96 116.55 113.23 3phy n ASP 116 Ca 0.00 -0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 3phy n ASP 116 Cb 0.00 -4.54 0.00 0.00 -0.64 0.00 0.00 41.12 35.94 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 -2.19 -0.06 -3.53 -2.24 2.88 -0.87 -4.77 113.62 102.84 3phy n SER 117 Ca -0.16 -0.05 -0.08 0.00 -1.33 0.00 0.00 58.87 57.25 3phy n SER 117 Cb 0.64 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.07 -0.86 0.11 0.66 2.02 -1.02 -2.72 117.35 115.47 3phy s TYR 118 Ca 0.00 1.33 0.10 0.00 -0.37 0.00 0.00 57.07 58.13 3phy s TYR 118 Cb 0.00 0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.76 3phy s TYR 118 CO 0.00 -0.58 -0.24 1.67 -1.57 0.00 0.00 175.55 174.82 3phy s TRP 119 N 2.61 2.10 -0.26 2.71 1.48 -0.64 -0.02 118.94 126.91 3phy s TRP 119 Ca 0.04 -0.40 0.01 0.00 -1.06 0.00 0.00 56.10 54.70 3phy s TRP 119 Cb -0.13 -1.15 0.07 0.00 -1.16 0.00 0.00 33.47 31.09 3phy s TRP 119 CO -0.14 0.27 -0.04 0.08 -4.06 0.00 0.00 176.95 173.05 3phy s VAL 120 N -1.07 1.68 -0.25 -0.66 1.01 -0.42 -1.07 120.40 119.61 3phy s VAL 120 Ca 0.11 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 3phy s VAL 120 Cb -0.10 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3phy s VAL 120 CO 0.05 -0.20 0.53 -0.36 0.00 0.00 0.00 175.10 175.12 3phy s PHE 121 N 1.30 3.28 -0.29 5.22 0.08 -0.67 -2.92 117.98 123.98 3phy s PHE 121 Ca -0.03 0.67 -0.10 0.00 0.12 0.00 0.00 56.93 57.59 3phy s PHE 121 Cb -0.19 -2.72 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 3phy s PHE 121 CO -0.08 -0.26 0.17 0.08 -0.10 0.00 0.00 175.22 175.03 3phy s VAL 122 N 2.23 4.94 -0.37 -0.44 1.01 -0.56 -2.21 120.40 125.01 3phy s VAL 122 Ca 0.22 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 3phy s VAL 122 Cb -0.16 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.81 3phy s VAL 122 CO 0.09 0.17 0.75 -0.75 0.00 0.00 0.00 175.10 175.36 3phy s LYS 123 N 1.69 3.69 -0.14 2.72 2.47 -0.14 -2.39 119.74 127.64 3phy s LYS 123 Ca 0.06 0.20 -0.29 0.00 -1.56 0.00 0.00 55.97 54.38 3phy s LYS 123 Cb -0.16 -3.83 -0.02 0.00 -1.46 0.00 0.00 37.83 32.36 3phy s LYS 123 CO 0.08 -0.86 1.32 0.50 0.16 0.00 0.00 175.35 176.55 3phy s ARG 124 N 3.04 4.24 0.00 4.03 3.52 -1.20 -0.73 118.95 131.84 3phy s ARG 124 Ca 0.30 1.75 0.31 0.00 -0.13 0.00 0.00 55.73 57.96 3phy s ARG 124 Cb -0.13 -3.77 1.87 0.00 -1.56 0.00 0.00 34.95 31.36 3phy s ARG 124 CO 0.17 -0.70 2.19 0.28 -0.81 0.00 0.00 175.30 176.43