#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3phy h GLU 2 N 0.00 0.00 0.00 0.03 4.22 -2.01 -3.44 114.58 113.38 3phy h GLU 2 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3phy h GLU 2 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3phy h GLU 2 CO 0.00 0.00 0.00 0.72 -2.18 0.00 0.00 179.01 177.55 3phy n HIS 3 N -3.37 0.00 -3.36 0.92 8.25 -1.26 -3.78 115.22 112.62 3phy n HIS 3 Ca -0.01 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.99 3phy n HIS 3 Cb 0.06 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 3phy n HIS 3 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3phy s VAL 4 N 0.00 5.25 0.00 1.59 -7.23 -1.26 -4.86 120.40 113.89 3phy s VAL 4 Ca 0.00 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3phy s VAL 4 Cb 0.00 -4.31 0.00 0.00 0.56 0.00 0.00 36.38 32.63 3phy s VAL 4 CO 0.00 -0.94 0.00 0.00 -0.31 0.00 0.00 175.10 173.85 3phy n ALA 5 N 4.54 0.00 -1.55 1.32 0.00 -1.16 0.17 120.51 123.83 3phy n ALA 5 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3phy n ALA 5 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 3phy n ALA 5 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3phy n PHE 6 N 0.73 1.71 0.00 0.00 1.16 -1.26 -4.33 117.46 115.47 3phy n PHE 6 Ca 0.00 -2.03 0.00 0.00 -1.87 0.00 0.00 57.45 53.55 3phy n PHE 6 Cb 0.00 -1.42 0.00 0.00 -1.61 0.00 0.00 39.48 36.45 3phy n PHE 6 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3phy n GLY 7 N 0.94 0.64 3.51 4.97 0.00 -0.08 -5.04 105.19 110.13 3phy n GLY 7 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 3phy n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3phy s SER 8 N -2.39 6.20 -0.67 1.61 0.01 0.45 -4.94 113.70 113.97 3phy s SER 8 Ca 0.00 -0.45 -0.32 0.00 1.31 0.00 0.00 55.95 56.49 3phy s SER 8 Cb 0.00 -2.22 -0.15 0.00 0.21 0.00 0.00 66.02 63.86 3phy s SER 8 CO 0.00 -0.48 2.45 -0.62 0.41 0.00 0.00 173.24 175.01 3phy n GLU 9 N 5.52 0.51 -1.16 12.44 1.02 -1.26 -2.96 120.64 134.75 3phy n GLU 9 Ca -0.08 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3phy n GLU 9 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 11.40 0.00 0.32 1.62 9.92 -1.26 -4.77 116.55 133.78 3phy n ASP 10 Ca 0.52 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.65 3phy n ASP 10 Cb 0.20 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.62 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 0.22 0.00 -1.68 0.53 1.08 -1.94 -2.42 117.51 113.30 3phy h ILE 11 Ca 0.00 -0.19 0.49 0.00 -0.39 0.00 0.00 64.86 64.77 3phy h ILE 11 Cb 0.00 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.68 3phy h ILE 11 CO 0.00 0.00 1.20 -1.84 -0.69 0.00 0.00 178.15 176.82 3phy n GLU 12 N -4.78 -0.00 -0.01 2.37 0.28 -1.26 0.13 120.64 117.36 3phy n GLU 12 Ca -0.10 0.95 -0.20 0.00 -0.16 0.00 0.00 57.16 57.65 3phy n GLU 12 Cb 0.33 -2.17 -0.14 0.00 1.43 0.00 0.00 31.44 30.89 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 0.29 0.40 -1.84 -0.73 -1.88 -2.99 115.58 108.83 3phy h ASN 13 Ca 0.81 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 58.14 3phy h ASN 13 Cb 3.22 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 41.72 3phy h ASN 13 CO -0.04 1.47 0.00 0.41 -0.37 0.00 0.00 177.43 178.90 3phy n THR 14 N -4.13 1.19 -0.03 -3.57 -1.04 0.34 -1.63 114.28 105.41 3phy n THR 14 Ca -0.22 0.32 -0.01 0.00 -2.04 0.00 0.00 64.05 62.10 3phy n THR 14 Cb 0.79 -1.14 -0.14 0.00 -1.82 0.00 0.00 70.33 68.02 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 -1.59 0.28 0.05 -4.42 4.77 0.90 -3.69 117.00 113.29 3phy n LEU 15 Ca 0.02 0.12 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 3phy n LEU 15 Cb 0.14 0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 3phy n LEU 15 CO 0.11 0.24 -0.04 0.00 -1.33 0.00 0.00 177.39 176.37 3phy n ALA 16 N -2.49 3.00 -1.86 -1.18 0.00 -0.88 -4.18 120.51 112.92 3phy n ALA 16 Ca -0.17 -0.35 -0.11 0.00 0.00 0.00 0.00 53.44 52.81 3phy n ALA 16 Cb 0.88 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 19.42 3phy n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3phy n LYS 17 N -2.23 2.74 -4.43 0.00 4.76 -0.64 -5.00 118.16 113.34 3phy n LYS 17 Ca 0.01 -3.79 -0.21 0.00 -2.87 0.00 0.00 58.31 51.44 3phy n LYS 17 Cb 0.49 -1.98 -0.16 0.00 -1.84 0.00 0.00 35.03 31.54 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3phy s MET 18 N -3.43 1.13 0.00 1.97 1.75 -1.24 -4.95 119.30 114.53 3phy s MET 18 Ca 0.45 -0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.57 3phy s MET 18 Cb 0.39 -1.02 0.00 0.00 2.84 0.00 0.00 34.83 37.04 3phy s MET 18 CO -0.01 0.09 0.18 -0.25 -0.65 0.00 0.00 175.02 174.39 3phy n ASP 19 N 3.44 0.00 -2.67 1.11 9.92 -1.26 -4.95 116.55 122.14 3phy n ASP 19 Ca -0.20 0.22 -0.05 0.00 -0.53 0.00 0.00 54.79 54.23 3phy n ASP 19 Cb 0.53 -0.05 0.08 0.00 -0.64 0.00 0.00 41.12 41.05 3phy n ASP 19 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3phy n ASP 20 N -0.64 -1.40 0.00 -2.24 5.75 -1.26 -5.01 116.55 111.75 3phy n ASP 20 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3phy n ASP 20 Cb 0.00 0.87 0.00 0.00 -1.03 0.00 0.00 41.12 40.96 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3phy n GLY 21 N 1.34 0.00 0.00 6.12 0.00 -1.26 -5.04 105.19 106.35 3phy n GLY 21 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3phy n GLY 21 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3phy n GLN 22 N 0.00 0.36 -0.49 1.61 7.27 -1.26 -4.80 117.38 120.08 3phy n GLN 22 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.15 3phy n GLN 22 Cb 0.00 -0.70 0.29 0.00 2.41 0.00 0.00 30.24 32.24 3phy n GLN 22 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3phy n LEU 23 N -1.71 4.17 0.16 1.69 -0.00 -1.26 -4.45 117.00 115.60 3phy n LEU 23 Ca 0.00 -2.52 0.13 0.00 -0.00 0.00 0.00 56.01 53.62 3phy n LEU 23 Cb 0.20 -0.50 0.56 0.00 -0.00 0.00 0.00 43.42 43.68 3phy n LEU 23 CO 0.00 0.75 0.88 0.44 -0.00 0.00 0.00 177.39 179.46 3phy h ASP 24 N 3.02 0.00 -0.67 1.45 5.19 -1.97 -2.40 116.42 121.04 3phy h ASP 24 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 3phy h ASP 24 Cb 1.31 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.75 3phy h ASP 24 CO 0.19 0.00 0.16 0.61 -3.12 0.00 0.00 179.24 177.08 3phy n GLY 25 N -0.22 3.44 3.63 2.75 0.00 -1.26 -3.52 105.19 110.01 3phy n GLY 25 Ca 0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 3phy n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3phy s LEU 26 N -2.92 0.98 -0.14 0.99 1.43 -0.90 -4.94 118.68 113.18 3phy s LEU 26 Ca 0.55 0.68 0.15 0.00 -1.03 0.00 0.00 54.13 54.48 3phy s LEU 26 Cb 0.43 -2.50 0.53 0.00 0.03 0.00 0.00 46.19 44.68 3phy s LEU 26 CO 0.14 -3.87 1.43 0.00 0.23 0.00 0.00 176.35 174.29 3phy n ALA 27 N -4.60 2.91 -3.62 4.21 0.00 -1.26 -4.77 120.51 113.39 3phy n ALA 27 Ca 0.12 -1.97 -0.10 0.00 0.00 0.00 0.00 53.44 51.49 3phy n ALA 27 Cb 0.59 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.36 -0.74 -0.01 0.00 -0.12 -1.26 -3.11 117.98 110.39 3phy s PHE 28 Ca 0.40 1.58 -0.30 0.00 -0.05 0.00 0.00 56.93 58.56 3phy s PHE 28 Cb 0.30 0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 43.02 3phy s PHE 28 CO 0.12 -0.39 1.02 0.20 -0.05 0.00 0.00 175.22 176.12 3phy s GLY 29 N 1.22 2.75 -0.28 1.99 0.00 -0.77 -4.65 107.32 107.58 3phy s GLY 29 Ca -0.08 0.56 -0.10 0.00 0.00 0.00 0.00 44.72 45.11 3phy s GLY 29 CO -0.12 1.78 0.16 0.00 0.00 0.00 0.00 173.10 174.92 3phy s ALA 30 N 1.18 3.39 0.08 3.20 0.00 -1.00 -1.62 121.76 126.99 3phy s ALA 30 Ca 0.53 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 51.36 3phy s ALA 30 Cb -0.22 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 3phy s ALA 30 CO 0.27 -0.64 -0.08 0.96 0.00 0.00 0.00 175.76 176.27 3phy s ILE 31 N 1.69 3.53 0.36 0.00 -5.25 -1.16 -3.16 121.20 117.21 3phy s ILE 31 Ca 0.06 -1.13 0.09 0.00 -0.99 0.00 0.00 60.65 58.68 3phy s ILE 31 Cb -0.16 -2.64 -0.06 0.00 2.95 0.00 0.00 42.46 42.55 3phy s ILE 31 CO 0.08 0.16 -0.02 -1.10 -1.79 0.00 0.00 174.94 172.28 3phy s GLN 32 N -2.08 1.97 -0.16 0.37 -0.21 -0.45 -1.44 119.66 117.66 3phy s GLN 32 Ca 0.21 -1.88 -0.16 0.00 0.02 0.00 0.00 55.36 53.55 3phy s GLN 32 Cb -0.11 -1.80 0.04 0.00 1.00 0.00 0.00 33.01 32.14 3phy s GLN 32 CO 0.13 0.09 0.46 -0.51 -2.12 0.00 0.00 175.29 173.34 3phy s LEU 33 N -3.69 0.26 0.50 2.90 1.43 0.91 -2.13 118.68 118.87 3phy s LEU 33 Ca 0.34 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 3phy s LEU 33 Cb 0.03 1.58 0.02 0.00 0.03 0.00 0.00 46.19 47.85 3phy s LEU 33 CO 0.18 -0.19 0.72 -0.62 0.23 0.00 0.00 176.35 176.68 3phy s ASP 34 N 0.11 5.50 0.64 2.29 2.15 -0.17 -2.07 116.67 125.12 3phy s ASP 34 Ca -0.01 0.07 0.21 0.00 0.43 0.00 0.00 52.55 53.26 3phy s ASP 34 Cb -0.03 -1.11 1.05 0.00 -0.30 0.00 0.00 42.92 42.53 3phy s ASP 34 CO 0.01 -0.95 1.57 1.23 -0.17 0.00 0.00 175.17 176.86 3phy h GLY 35 N 0.23 0.00 -1.80 2.66 0.00 -1.92 0.47 103.07 102.72 3phy h GLY 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3phy h GLY 35 CO 0.54 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.30 3phy n ASP 36 N -3.04 2.64 -0.47 0.19 8.00 -1.26 -4.87 116.55 117.74 3phy n ASP 36 Ca 0.05 -2.08 -0.05 0.00 0.71 0.00 0.00 54.79 53.42 3phy n ASP 36 Cb 0.81 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 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 1.10 0.33 3.70 0.44 0.00 0.17 -4.99 105.19 105.94 3phy n GLY 37 Ca 0.15 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.84 6.34 0.26 1.61 0.01 -1.21 -2.35 114.94 116.76 3phy s ASN 38 Ca 0.00 0.39 -0.31 0.00 -0.71 0.00 0.00 52.86 52.23 3phy s ASN 38 Cb 0.00 -2.17 -0.13 0.00 0.41 0.00 0.00 41.25 39.36 3phy s ASN 38 CO 0.00 0.06 1.40 0.00 -1.51 0.00 0.00 177.10 177.05 3phy n ILE 39 N 3.90 1.14 -0.04 0.60 0.13 -1.18 -1.00 119.36 122.92 3phy n ILE 39 Ca -0.12 -0.29 -0.02 0.00 -1.10 0.00 0.00 62.75 61.22 3phy n ILE 39 Cb 0.52 -1.53 -0.07 0.00 -0.84 0.00 0.00 39.64 37.72 3phy n ILE 39 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3phy n LEU 40 N 1.91 0.00 -3.49 9.51 4.77 -0.90 -4.32 117.00 124.49 3phy n LEU 40 Ca 0.10 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3phy n LEU 40 Cb 0.33 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3phy n LEU 40 CO 0.63 0.17 0.33 -1.58 -1.33 0.00 0.00 177.39 175.61 3phy s GLN 41 N -2.30 1.21 0.18 3.23 -0.44 -1.26 -4.89 119.66 115.38 3phy s GLN 41 Ca -0.04 -0.53 0.00 0.00 -2.50 0.00 0.00 55.36 52.28 3phy s GLN 41 Cb 0.03 0.55 0.00 0.00 -1.64 0.00 0.00 33.01 31.96 3phy s GLN 41 CO 0.36 -0.51 0.00 0.98 0.50 0.00 0.00 175.29 176.62 3phy n TYR 42 N -0.32 -1.83 0.00 1.67 9.36 -1.19 -1.35 117.16 123.50 3phy n TYR 42 Ca -0.17 0.37 0.00 0.00 3.32 0.00 0.00 57.90 61.42 3phy n TYR 42 Cb 0.65 0.91 0.00 0.00 -0.63 0.00 0.00 39.34 40.26 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 -3.03 0.00 0.02 2.98 6.94 -1.26 -2.39 115.26 118.53 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 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 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 1.19 3.47 0.31 -2.53 0.00 -1.26 -3.99 120.51 117.70 3phy n ALA 44 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 3phy n ALA 44 Cb 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 2.53 -1.17 -0.02 0.00 0.00 -1.84 0.43 119.26 119.19 3phy h ALA 45 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3phy h ALA 45 Cb 0.74 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3phy h ALA 45 CO 0.00 -1.14 0.01 1.05 0.00 0.00 0.00 179.25 179.17 3phy h GLU 46 N -0.84 0.02 0.00 0.00 4.11 -1.82 -0.83 114.58 115.22 3phy h GLU 46 Ca -0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3phy h GLU 46 Cb 0.67 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3phy h GLU 46 CO 0.09 0.10 0.05 0.41 0.07 0.00 0.00 179.01 179.72 3phy n GLY 47 N -0.88 -0.81 0.14 1.06 0.00 -1.19 -1.17 105.19 102.35 3phy n GLY 47 Ca -0.07 0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 0.76 0.13 1.61 1.82 0.14 0.39 116.42 121.27 3phy h ASP 48 Ca 0.00 -0.84 -0.27 0.00 -0.39 0.00 0.00 57.03 55.53 3phy h ASP 48 Cb 0.09 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.86 3phy h ASP 48 CO 0.00 1.66 -1.33 0.40 -1.61 0.00 0.00 179.24 178.36 3phy h ILE 49 N 0.13 1.12 0.02 2.25 1.08 -1.14 -3.37 117.51 117.60 3phy h ILE 49 Ca -0.25 -2.45 -0.30 0.00 -0.39 0.00 0.00 64.86 61.48 3phy h ILE 49 Cb 2.14 2.82 -0.04 0.00 -3.07 0.00 0.00 36.82 38.67 3phy h ILE 49 CO 0.26 0.72 -1.70 0.71 -0.69 0.00 0.00 178.15 177.45 3phy h THR 50 N -0.27 0.87 0.00 -0.27 1.35 -1.30 -3.48 112.91 109.81 3phy h THR 50 Ca -0.27 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 62.89 3phy h THR 50 Cb 1.78 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.66 3phy h THR 50 CO 0.09 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 3phy n GLY 51 N 1.60 0.39 3.57 5.82 0.00 0.14 -5.00 105.19 111.70 3phy n GLY 51 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.96 2.92 0.88 1.61 0.52 -1.18 -4.87 118.95 117.86 3phy s ARG 52 Ca 0.00 0.97 -0.12 0.00 -0.52 0.00 0.00 55.73 56.06 3phy s ARG 52 Cb 0.00 -4.31 0.12 0.00 0.52 0.00 0.00 34.95 31.28 3phy s ARG 52 CO 0.00 -2.37 1.10 -0.51 0.02 0.00 0.00 175.30 173.54 3phy s ASP 53 N 7.32 3.71 0.08 0.23 1.11 -1.26 -3.39 116.67 124.47 3phy s ASP 53 Ca 0.73 1.32 -0.11 0.00 0.18 0.00 0.00 52.55 54.67 3phy s ASP 53 Cb -0.16 -2.01 -0.22 0.00 1.07 0.00 0.00 42.92 41.60 3phy s ASP 53 CO 0.26 -2.47 1.19 1.55 1.18 0.00 0.00 175.17 176.88 3phy h PRO 54 N -1.43 0.57 0.00 8.23 0.13 -1.94 -2.28 132.00 135.28 3phy h PRO 54 Ca -0.49 -0.68 -0.04 0.00 -0.87 0.00 0.00 66.00 63.92 3phy h PRO 54 Cb 1.29 0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.63 3phy h PRO 54 CO 0.57 1.28 -0.18 -0.22 -0.23 0.00 0.00 178.00 179.23 3phy h LYS 55 N 0.29 0.00 0.06 0.86 1.63 -1.95 -2.58 116.57 114.88 3phy h LYS 55 Ca -0.14 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.51 3phy h LYS 55 Cb 1.76 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.39 3phy h LYS 55 CO 0.21 0.18 -0.75 0.37 -3.45 0.00 0.00 179.45 176.00 3phy h GLN 56 N 0.00 0.13 0.00 1.90 4.15 -1.93 -3.26 115.11 116.10 3phy h GLN 56 Ca -0.00 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.20 3phy h GLN 56 Cb 0.74 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.51 3phy h GLN 56 CO 0.02 1.11 0.00 1.33 -1.93 0.00 0.00 178.83 179.36 3phy n VAL 57 N -4.30 1.21 -2.08 2.39 0.24 -0.86 -4.38 118.33 110.55 3phy n VAL 57 Ca -0.18 0.35 -0.42 0.00 -2.04 0.00 0.00 64.34 62.05 3phy n VAL 57 Cb 0.70 -1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 31.82 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 -3.12 3.64 0.00 1.34 1.01 -0.97 -1.23 121.20 121.87 3phy s ILE 58 Ca 0.04 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.53 3phy s ILE 58 Cb 0.07 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.99 3phy s ILE 58 CO 0.22 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3phy n GLY 59 N 3.99 3.09 3.72 6.18 0.00 -1.26 -5.02 105.19 115.89 3phy n GLY 59 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.60 4.64 -0.06 1.61 -0.14 -0.37 -4.83 119.74 119.98 3phy s LYS 60 Ca 0.00 1.45 -0.30 0.00 -1.36 0.00 0.00 55.97 55.76 3phy s LYS 60 Cb 0.00 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 3phy s LYS 60 CO 0.00 0.10 1.40 -0.80 -0.76 0.00 0.00 175.35 175.28 3phy s ASN 61 N 0.43 6.86 0.00 2.83 0.02 -1.26 -3.09 114.94 120.73 3phy s ASN 61 Ca 0.49 2.00 0.14 0.00 -1.02 0.00 0.00 52.86 54.46 3phy s ASN 61 Cb -0.23 -2.55 0.75 0.00 0.02 0.00 0.00 41.25 39.24 3phy s ASN 61 CO 0.29 -0.76 1.30 0.33 0.02 0.00 0.00 177.10 178.28 3phy n PHE 62 N 6.06 0.00 0.12 2.20 7.35 -0.99 -0.47 117.46 131.72 3phy n PHE 62 Ca 0.14 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.88 3phy n PHE 62 Cb 0.44 -0.14 -0.07 0.00 0.35 0.00 0.00 39.48 40.06 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 -1.14 0.00 0.00 -5.13 3.72 -1.26 -3.67 117.46 109.98 3phy n PHE 63 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3phy n PHE 63 Cb 0.08 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.67 0.00 -0.04 -1.08 4.81 -1.12 -3.71 118.16 115.35 3phy n LYS 64 Ca -0.01 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 3phy n LYS 64 Cb 0.23 -0.47 0.44 0.00 0.02 0.00 0.00 35.03 35.25 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 -1.38 1.69 0.00 3.14 -0.08 -0.59 -4.57 116.55 114.76 3phy n ASP 65 Ca 0.00 -1.62 0.00 0.00 -1.51 0.00 0.00 54.79 51.66 3phy n ASP 65 Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 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 0.32 0.00 -3.33 5.18 0.31 0.38 -4.57 118.33 116.62 3phy n VAL 66 Ca 0.18 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 64.07 3phy n VAL 66 Cb 0.36 -0.46 -0.08 0.00 -0.91 0.00 0.00 33.84 32.76 3phy n VAL 66 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3phy s ALA 67 N -2.00 3.48 -2.00 3.52 0.00 -1.24 -4.91 121.76 118.61 3phy s ALA 67 Ca 0.00 -1.87 0.25 0.00 0.00 0.00 0.00 51.96 50.34 3phy s ALA 67 Cb 0.00 -3.12 1.47 0.00 0.00 0.00 0.00 23.12 21.47 3phy s ALA 67 CO 0.00 -1.74 1.83 -0.35 0.00 0.00 0.00 175.76 175.50 3phy n PRO 68 N 5.51 0.78 -0.01 0.00 -0.04 -1.26 -2.83 135.00 137.16 3phy n PRO 68 Ca -0.10 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.44 3phy n PRO 68 Cb 0.45 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 3phy n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3phy n THR 70 N -1.99 0.11 -1.56 0.00 -2.24 -1.13 -3.77 114.28 103.70 3phy n THR 70 Ca -0.02 0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.50 3phy n THR 70 Cb 0.39 -0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 3phy n THR 70 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3phy n ASP 71 N -1.11 6.70 -4.69 3.42 -0.08 -1.24 -0.84 116.55 118.70 3phy n ASP 71 Ca 0.15 -3.16 -0.32 0.00 -1.51 0.00 0.00 54.79 49.95 3phy n ASP 71 Cb 0.12 -1.26 -0.08 0.00 2.34 0.00 0.00 41.12 42.24 3phy n ASP 71 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3phy s SER 72 N 0.43 3.97 0.00 1.67 0.01 -1.25 -4.89 113.70 113.65 3phy s SER 72 Ca 0.59 -1.63 0.28 0.00 1.31 0.00 0.00 55.95 56.49 3phy s SER 72 Cb 0.35 0.44 1.41 0.00 0.21 0.00 0.00 66.02 68.43 3phy s SER 72 CO -0.19 -0.83 1.95 -0.81 0.41 0.00 0.00 173.24 173.78 3phy n PRO 73 N -1.20 0.42 -0.01 12.44 -0.04 -1.26 -0.38 135.00 144.96 3phy n PRO 73 Ca -0.17 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.37 3phy n PRO 73 Cb 0.67 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 3phy n PRO 73 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3phy n GLU 74 N -1.27 0.58 0.00 0.54 4.07 -1.26 -3.70 120.64 119.60 3phy n GLU 74 Ca 0.13 -0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3phy n GLU 74 Cb 0.21 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.28 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3phy n PHE 75 N -2.01 0.00 0.32 4.31 -0.00 -1.20 -4.15 117.46 114.72 3phy n PHE 75 Ca -0.04 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.56 3phy n PHE 75 Cb 0.41 0.00 0.59 0.00 -0.00 0.00 0.00 39.48 40.48 3phy n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 3phy h TYR 76 N 0.00 0.00 0.72 -5.13 3.20 -0.22 -2.97 116.97 112.56 3phy h TYR 76 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3phy h TYR 76 Cb 0.00 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.28 3phy h TYR 76 CO 0.00 0.00 -0.35 0.78 -1.64 0.00 0.00 178.16 176.95 3phy h GLY 77 N 2.29 -1.01 2.00 1.82 0.00 -0.80 0.12 103.07 107.49 3phy h GLY 77 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.70 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 -1.10 0.00 0.20 4.80 1.79 -1.63 -1.07 116.57 119.56 3phy h LYS 78 Ca -0.10 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.05 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 -1.46 0.35 -1.08 0.00 0.00 179.45 177.42 3phy h PHE 79 N 0.00 0.77 0.00 -1.35 3.04 -1.29 -1.67 116.94 116.44 3phy h PHE 79 Ca 0.00 -0.56 0.00 0.00 3.98 0.00 0.00 57.97 61.39 3phy h PHE 79 Cb 0.06 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.54 3phy h PHE 79 CO 0.00 1.49 0.00 1.63 -2.02 0.00 0.00 178.31 179.41 3phy n LYS 80 N -3.63 0.06 -0.09 1.11 5.02 -0.01 -1.66 118.16 118.96 3phy n LYS 80 Ca -0.16 0.12 -0.18 0.00 -2.02 0.00 0.00 58.31 56.08 3phy n LYS 80 Cb 1.08 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 34.38 3phy n LYS 80 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3phy n GLU 81 N -1.69 0.68 -0.17 1.97 0.28 -0.96 -3.80 120.64 116.95 3phy n GLU 81 Ca 0.06 0.17 -0.08 0.00 -0.16 0.00 0.00 57.16 57.14 3phy n GLU 81 Cb 0.31 -1.58 0.05 0.00 1.43 0.00 0.00 31.44 31.66 3phy n GLU 81 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 3phy h GLY 82 N 1.96 1.07 1.01 -1.84 0.00 -1.27 -2.03 103.07 101.97 3phy h GLY 82 Ca -0.53 -0.81 0.01 0.00 0.00 0.00 0.00 47.33 46.01 3phy h GLY 82 CO -0.03 0.74 0.65 -2.08 0.00 0.00 0.00 176.54 175.82 3phy h VAL 83 N 0.89 1.24 0.01 4.60 2.07 -1.49 -0.78 116.25 122.80 3phy h VAL 83 Ca 0.15 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 3phy h VAL 83 Cb 0.60 -0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3phy h VAL 83 CO 0.04 0.24 -0.49 0.00 0.02 0.00 0.00 177.57 177.38 3phy h ALA 84 N 1.40 0.04 0.00 1.67 0.00 -1.60 -3.23 119.26 117.53 3phy h ALA 84 Ca 0.37 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3phy h ALA 84 Cb -0.13 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3phy h ALA 84 CO -0.09 0.25 -0.03 0.77 0.00 0.00 0.00 179.25 180.16 3phy h SER 85 N -0.29 0.00 -0.01 0.00 0.02 -1.28 -3.46 113.55 108.53 3phy h SER 85 Ca -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3phy h SER 85 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 3phy h SER 85 CO 0.10 0.03 -0.00 0.61 -1.14 0.00 0.00 176.83 176.42 3phy n GLY 86 N -0.24 0.45 2.43 -3.77 0.00 -0.32 -4.92 105.19 98.82 3phy n GLY 86 Ca -0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 3phy n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3phy n ASN 87 N 0.95 0.61 -4.68 1.61 3.02 -1.10 -5.04 115.26 110.65 3phy n ASN 87 Ca -0.00 -2.94 -0.48 0.00 -0.03 0.00 0.00 54.58 51.13 3phy n ASN 87 Cb 0.01 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3phy n LEU 88 N 0.12 3.26 -3.07 3.41 0.00 -1.19 -4.86 117.00 114.67 3phy n LEU 88 Ca 0.16 1.01 -0.00 0.00 0.00 0.00 0.00 56.01 57.19 3phy n LEU 88 Cb 0.73 -1.38 -0.00 0.00 0.00 0.00 0.00 43.42 42.77 3phy n LEU 88 CO 0.20 -0.16 0.14 0.54 0.00 0.00 0.00 177.39 178.11 3phy s ASN 89 N 3.01 -1.37 0.14 1.96 4.22 -1.25 -1.72 114.94 119.91 3phy s ASN 89 Ca 0.88 -0.90 -0.00 0.00 -2.14 0.00 0.00 52.86 50.70 3phy s ASN 89 Cb -0.71 1.76 -0.04 0.00 1.28 0.00 0.00 41.25 43.55 3phy s ASN 89 CO 0.48 -0.13 0.04 0.28 -2.04 0.00 0.00 177.10 175.73 3phy s THR 90 N 1.65 0.24 -0.10 0.54 -1.32 -0.87 -5.04 115.64 110.74 3phy s THR 90 Ca 0.19 -1.92 -0.24 0.00 -1.21 0.00 0.00 61.69 58.50 3phy s THR 90 Cb -0.02 -2.04 0.06 0.00 -1.51 0.00 0.00 72.50 68.99 3phy s THR 90 CO -0.07 -0.49 0.58 0.00 -2.21 0.00 0.00 174.62 172.42 3phy s MET 91 N -4.01 0.87 0.18 7.08 0.23 -1.26 -1.78 119.30 120.60 3phy s MET 91 Ca 0.23 0.37 -0.09 0.00 -1.03 0.00 0.00 55.69 55.17 3phy s MET 91 Cb 0.07 0.41 0.03 0.00 -1.53 0.00 0.00 34.83 33.81 3phy s MET 91 CO 0.02 -0.22 0.44 1.97 -2.03 0.00 0.00 175.02 175.20 3phy n PHE 92 N 1.60 -1.53 -3.64 3.16 -1.74 -1.12 -5.02 117.46 109.17 3phy n PHE 92 Ca -0.18 -0.89 -0.39 0.00 -0.56 0.00 0.00 57.45 55.43 3phy n PHE 92 Cb 0.56 0.44 -0.10 0.00 1.52 0.00 0.00 39.48 41.91 3phy n PHE 92 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 3phy s GLU 93 N -2.04 2.43 0.04 3.97 -6.30 -1.26 -2.37 118.70 113.18 3phy s GLU 93 Ca 0.09 -1.62 0.02 0.00 -2.50 0.00 0.00 54.97 50.95 3phy s GLU 93 Cb -0.02 -3.76 -0.04 0.00 0.00 0.00 0.00 34.13 30.31 3phy s GLU 93 CO 0.05 -1.04 0.06 -0.47 0.02 0.00 0.00 175.26 173.89 3phy s TYR 94 N 1.34 3.19 -0.30 5.30 5.04 -1.15 -4.95 117.35 125.83 3phy s TYR 94 Ca 0.05 0.11 -0.01 0.00 -2.44 0.00 0.00 57.07 54.78 3phy s TYR 94 Cb -0.24 -1.66 0.05 0.00 0.35 0.00 0.00 41.96 40.47 3phy s TYR 94 CO -0.00 0.52 -0.02 0.99 -1.34 0.00 0.00 175.55 175.70 3phy s THR 95 N -1.28 2.84 -0.53 4.34 2.01 -1.26 -1.66 115.64 120.09 3phy s THR 95 Ca 0.26 -1.45 -0.28 0.00 0.31 0.00 0.00 61.69 60.52 3phy s THR 95 Cb -0.12 -2.65 0.03 0.00 0.01 0.00 0.00 72.50 69.77 3phy s THR 95 CO 0.18 -0.11 1.23 -0.36 -0.69 0.00 0.00 174.62 174.87 3phy s PHE 96 N 1.22 2.60 -0.24 4.92 0.08 0.46 -4.81 117.98 122.21 3phy s PHE 96 Ca -0.05 0.54 0.10 0.00 0.12 0.00 0.00 56.93 57.63 3phy s PHE 96 Cb -0.20 -4.46 0.44 0.00 -0.57 0.00 0.00 43.02 38.23 3phy s PHE 96 CO -0.02 -1.59 1.24 -3.47 -0.10 0.00 0.00 175.22 171.29 3phy n ASP 97 N 8.46 2.69 -4.87 1.36 -0.08 -1.26 -2.02 116.55 120.84 3phy n ASP 97 Ca 0.11 -3.86 -0.31 0.00 -1.51 0.00 0.00 54.79 49.23 3phy n ASP 97 Cb 0.49 -0.50 0.04 0.00 2.34 0.00 0.00 41.12 43.49 3phy n ASP 97 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3phy s TYR 98 N -3.34 3.39 0.00 -0.67 1.13 -1.26 -4.44 117.35 112.15 3phy s TYR 98 Ca 0.42 1.18 0.00 0.00 -1.41 0.00 0.00 57.07 57.26 3phy s TYR 98 Cb 0.39 -2.92 0.00 0.00 -1.10 0.00 0.00 41.96 38.32 3phy s TYR 98 CO -0.03 -1.04 0.00 1.04 -2.51 0.00 0.00 175.55 173.01 3phy n GLN 99 N -2.95 0.00 -2.69 -3.49 6.02 -1.26 -4.44 117.38 108.57 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 0.56 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.82 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 -2.69 -1.09 1.56 -1.26 -5.13 117.12 108.50 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 0.11 0.00 2.15 0.00 0.00 33.22 35.48 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 -3.16 2.06 -0.53 1.12 -4.23 -1.26 -4.97 115.64 104.67 3phy s THR 101 Ca 0.00 -0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 59.54 3phy s THR 101 Cb 0.00 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.49 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 -5.08 3.50 -0.13 3.99 0.04 -1.26 -4.40 135.00 131.66 3phy s PRO 102 Ca 0.67 0.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.15 3phy s PRO 102 Cb -0.05 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 3phy s PRO 102 CO 0.44 -1.68 0.00 0.99 0.04 0.00 0.00 177.00 176.79 3phy s THR 103 N 5.26 4.29 0.07 1.26 2.01 -0.86 -4.97 115.64 122.71 3phy s THR 103 Ca 0.50 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.27 3phy s THR 103 Cb -0.09 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3phy s THR 103 CO 0.28 0.53 0.20 -0.75 -0.69 0.00 0.00 174.62 174.19 3phy s LYS 104 N -0.16 3.36 -0.13 4.92 2.47 -1.26 -0.40 119.74 128.54 3phy s LYS 104 Ca 0.05 -0.49 -0.20 0.00 -1.56 0.00 0.00 55.97 53.77 3phy s LYS 104 Cb -0.13 -2.99 0.05 0.00 -1.46 0.00 0.00 37.83 33.30 3phy s LYS 104 CO 0.02 0.60 0.52 0.14 0.16 0.00 0.00 175.35 176.78 3phy s VAL 105 N -1.51 0.01 -0.77 4.02 -7.23 -0.66 -2.22 120.40 112.03 3phy s VAL 105 Ca 0.34 -0.10 -0.26 0.00 -1.81 0.00 0.00 61.98 60.16 3phy s VAL 105 Cb -0.13 -0.77 0.04 0.00 0.56 0.00 0.00 36.38 36.09 3phy s VAL 105 CO 0.27 -0.05 1.26 -0.54 -0.31 0.00 0.00 175.10 175.72 3phy s LYS 106 N -0.36 3.25 0.24 4.82 3.01 -0.86 -2.92 119.74 126.92 3phy s LYS 106 Ca -0.05 -0.50 -0.10 0.00 -1.01 0.00 0.00 55.97 54.31 3phy s LYS 106 Cb -0.03 -4.38 -0.07 0.00 -1.01 0.00 0.00 37.83 32.33 3phy s LYS 106 CO 0.03 -2.10 0.56 0.14 0.51 0.00 0.00 175.35 174.50 3phy s VAL 107 N 5.31 4.91 -0.24 3.17 -7.23 -1.00 -1.27 120.40 124.05 3phy s VAL 107 Ca 0.35 0.50 -0.02 0.00 -1.81 0.00 0.00 61.98 60.99 3phy s VAL 107 Cb -0.08 -3.62 0.12 0.00 0.56 0.00 0.00 36.38 33.36 3phy s VAL 107 CO 0.10 -0.09 0.30 -2.28 -0.31 0.00 0.00 175.10 172.83 3phy s HIS 108 N -1.84 -0.55 -0.28 2.82 5.04 -0.43 -2.79 115.29 117.25 3phy s HIS 108 Ca 0.48 0.35 -0.10 0.00 -1.54 0.00 0.00 55.06 54.25 3phy s HIS 108 Cb -0.11 -0.24 -0.03 0.00 0.04 0.00 0.00 32.58 32.24 3phy s HIS 108 CO 0.21 -0.74 0.15 -1.64 -2.34 0.00 0.00 174.74 170.38 3phy s MET 109 N 2.42 3.67 0.01 2.88 -1.94 -0.73 -1.15 119.30 124.47 3phy s MET 109 Ca 0.10 -0.49 -0.00 0.00 -1.71 0.00 0.00 55.69 53.58 3phy s MET 109 Cb -0.15 -3.54 -0.01 0.00 2.01 0.00 0.00 34.83 33.14 3phy s MET 109 CO -0.19 -0.26 -0.01 0.21 -0.01 0.00 0.00 175.02 174.76 3phy s LYS 110 N 1.68 0.19 0.31 2.03 2.20 -0.17 -2.05 119.74 123.92 3phy s LYS 110 Ca 0.06 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.05 3phy s LYS 110 Cb -0.16 0.07 -0.13 0.00 -1.51 0.00 0.00 37.83 36.10 3phy s LYS 110 CO 0.07 -0.03 1.24 0.36 -0.36 0.00 0.00 175.35 176.63 3phy n LYS 111 N 2.24 1.89 -2.97 4.03 2.85 -0.70 -1.89 118.16 123.61 3phy n LYS 111 Ca -0.19 0.67 -0.26 0.00 -1.05 0.00 0.00 58.31 57.48 3phy n LYS 111 Cb 0.57 -2.21 -0.01 0.00 -0.65 0.00 0.00 35.03 32.74 3phy n LYS 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3phy s ALA 112 N -0.87 3.54 -1.42 0.58 0.00 -1.08 -4.81 121.76 117.70 3phy s ALA 112 Ca 0.59 -0.69 0.26 0.00 0.00 0.00 0.00 51.96 52.12 3phy s ALA 112 Cb -0.62 -2.37 0.78 0.00 0.00 0.00 0.00 23.12 20.91 3phy s ALA 112 CO 0.59 -0.20 1.59 1.28 0.00 0.00 0.00 175.76 179.02 3phy n LEU 113 N -2.05 0.67 -0.11 0.00 4.77 -1.26 -3.74 117.00 115.28 3phy n LEU 113 Ca -0.02 -0.07 0.19 0.00 -0.03 0.00 0.00 56.01 56.09 3phy n LEU 113 Cb 0.56 -0.20 0.61 0.00 -2.33 0.00 0.00 43.42 42.05 3phy n LEU 113 CO 0.51 0.14 1.21 0.77 -1.33 0.00 0.00 177.39 178.69 3phy h SER 114 N 0.59 0.18 0.00 -1.43 4.64 -1.94 -3.44 113.55 112.15 3phy h SER 114 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3phy h SER 114 Cb 0.48 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3phy h SER 114 CO 0.00 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3phy n GLY 115 N -1.60 0.53 3.40 -0.77 0.00 -1.26 -4.98 105.19 100.52 3phy n GLY 115 Ca 0.14 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.28 -3.16 1.61 9.92 -1.26 -5.01 116.55 112.37 3phy n ASP 116 Ca 0.00 -0.75 -0.13 0.00 -0.53 0.00 0.00 54.79 53.38 3phy n ASP 116 Cb 0.00 -4.46 -0.02 0.00 -0.64 0.00 0.00 41.12 36.00 3phy n ASP 116 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3phy n SER 117 N -2.83 2.41 -3.48 -2.24 7.64 -1.25 -4.53 113.62 109.34 3phy n SER 117 Ca -0.08 -1.92 -0.08 0.00 1.01 0.00 0.00 58.87 57.80 3phy n SER 117 Cb 0.60 0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.83 3phy n SER 117 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3phy s TYR 118 N -1.64 -0.85 0.35 1.43 2.02 -0.88 -2.62 117.35 115.16 3phy s TYR 118 Ca 0.03 1.18 0.09 0.00 -0.37 0.00 0.00 57.07 58.00 3phy s TYR 118 Cb -0.00 0.17 -0.06 0.00 -0.40 0.00 0.00 41.96 41.67 3phy s TYR 118 CO 0.02 -0.62 -0.03 1.67 -1.57 0.00 0.00 175.55 175.01 3phy s TRP 119 N 2.59 2.48 -0.25 2.71 1.48 -0.79 -0.06 118.94 127.09 3phy s TRP 119 Ca 0.07 -0.48 -0.02 0.00 -1.06 0.00 0.00 56.10 54.60 3phy s TRP 119 Cb -0.14 -1.47 0.12 0.00 -1.16 0.00 0.00 33.47 30.82 3phy s TRP 119 CO -0.15 0.52 0.26 0.08 -4.06 0.00 0.00 176.95 173.60 3phy s VAL 120 N -2.57 -0.36 -0.06 -0.66 1.01 -0.52 -0.99 120.40 116.24 3phy s VAL 120 Ca 0.34 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 3phy s VAL 120 Cb 0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3phy s VAL 120 CO 0.18 -0.37 0.80 -0.36 0.00 0.00 0.00 175.10 175.35 3phy s PHE 121 N 2.34 3.58 -0.30 5.22 0.08 -0.30 -2.98 117.98 125.62 3phy s PHE 121 Ca 0.09 1.38 -0.04 0.00 0.12 0.00 0.00 56.93 58.47 3phy s PHE 121 Cb -0.15 -2.92 0.03 0.00 -0.57 0.00 0.00 43.02 39.41 3phy s PHE 121 CO -0.24 0.02 0.02 0.08 -0.10 0.00 0.00 175.22 175.00 3phy s VAL 122 N 1.04 3.33 0.49 -0.44 1.01 -0.64 -1.32 120.40 123.88 3phy s VAL 122 Ca 0.42 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3phy s VAL 122 Cb -0.18 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3phy s VAL 122 CO 0.20 -0.01 0.81 -0.75 0.00 0.00 0.00 175.10 175.35 3phy s LYS 123 N 1.35 3.55 -0.24 2.72 2.20 -0.40 -1.85 119.74 127.07 3phy s LYS 123 Ca -0.02 0.25 -0.07 0.00 -0.36 0.00 0.00 55.97 55.78 3phy s LYS 123 Cb -0.18 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3phy s LYS 123 CO -0.00 -0.24 0.05 0.50 -0.36 0.00 0.00 175.35 175.30 3phy s ARG 124 N -4.77 3.63 0.00 4.03 3.52 -1.18 -2.02 118.95 122.16 3phy s ARG 124 Ca 0.48 -0.50 0.05 0.00 -0.13 0.00 0.00 55.73 55.63 3phy s ARG 124 Cb -0.10 -3.25 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3phy s ARG 124 CO 0.46 -0.15 0.65 1.33 -0.81 0.00 0.00 175.30 176.78