#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 0.00 -0.64 2.12 2.13 -1.26 -4.67 120.64 118.32 3phy n GLU 2 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 3phy n GLU 2 Cb 0.00 0.00 0.27 0.00 0.27 0.00 0.00 31.44 31.98 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 0.00 -0.09 0.00 4.31 3.76 -1.26 -5.03 115.29 116.98 3phy s HIS 3 Ca 0.00 0.59 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 3phy s HIS 3 Cb 0.00 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.58 3phy s HIS 3 CO 0.00 -4.52 0.00 1.55 -0.85 0.00 0.00 174.74 170.92 3phy n VAL 4 N -5.28 0.00 -3.03 -0.90 3.14 -1.26 -4.99 118.33 106.01 3phy n VAL 4 Ca 0.12 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.10 3phy n VAL 4 Cb 0.59 -1.60 -0.05 0.00 -1.06 0.00 0.00 33.84 31.72 3phy n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3phy s ALA 5 N -3.60 3.38 0.02 1.55 0.00 -1.26 -4.70 121.76 117.15 3phy s ALA 5 Ca 0.00 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 3phy s ALA 5 Cb 0.00 -2.95 -0.16 0.00 0.00 0.00 0.00 23.12 20.01 3phy s ALA 5 CO 0.00 0.06 1.23 0.35 0.00 0.00 0.00 175.76 177.40 3phy h PHE 6 N 5.81 -0.62 -0.38 0.00 3.04 -2.01 -1.39 116.94 121.40 3phy h PHE 6 Ca -0.44 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 61.61 3phy h PHE 6 Cb 1.20 0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.90 3phy h PHE 6 CO 0.65 -0.29 0.36 0.78 -2.02 0.00 0.00 178.31 177.79 3phy h GLY 7 N -0.96 0.00 0.00 2.40 0.00 -1.98 -3.46 103.07 99.07 3phy h GLY 7 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3phy h GLY 7 CO 0.11 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.39 3phy n SER 8 N -3.92 -1.11 -4.58 0.19 2.88 -0.52 -3.49 113.62 103.06 3phy n SER 8 Ca 0.06 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.45 3phy n SER 8 Cb 0.54 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 3phy n SER 8 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3phy s GLU 9 N 0.00 1.30 -0.19 -1.46 8.01 -1.26 -4.38 118.70 120.72 3phy s GLU 9 Ca 0.00 -0.34 -0.09 0.00 0.01 0.00 0.00 54.97 54.55 3phy s GLU 9 Cb 0.00 -4.97 0.01 0.00 -4.31 0.00 0.00 34.13 24.87 3phy s GLU 9 CO 0.00 -5.28 0.22 -0.25 0.01 0.00 0.00 175.26 169.95 3phy n ASP 10 N 19.29 -1.74 0.05 -0.19 8.00 -1.25 -4.74 116.55 135.97 3phy n ASP 10 Ca 0.42 -0.14 -0.02 0.00 0.71 0.00 0.00 54.79 55.76 3phy n ASP 10 Cb 0.46 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 3phy n ASP 10 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3phy h ILE 11 N 0.66 0.00 -1.69 0.53 1.08 -1.76 -2.68 117.51 113.65 3phy h ILE 11 Ca -0.20 0.00 0.49 0.00 -0.39 0.00 0.00 64.86 64.76 3phy h ILE 11 Cb 0.47 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.15 3phy h ILE 11 CO 0.09 0.00 1.32 -1.84 -0.69 0.00 0.00 178.15 177.03 3phy n GLU 12 N -2.49 0.00 -0.01 2.37 -0.00 -1.26 0.08 120.64 119.33 3phy n GLU 12 Ca -0.02 1.02 -0.13 0.00 -0.00 0.00 0.00 57.16 58.03 3phy n GLU 12 Cb 0.06 -2.38 -0.10 0.00 -0.00 0.00 0.00 31.44 29.01 3phy n GLU 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3phy h ASN 13 N 0.00 -0.04 0.29 -1.84 4.21 -1.81 -2.73 115.58 113.66 3phy h ASN 13 Ca 0.80 -0.59 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 3phy h ASN 13 Cb 3.43 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 40.64 3phy h ASN 13 CO -0.01 0.59 -0.14 0.74 -1.29 0.00 0.00 177.43 177.33 3phy h THR 14 N -0.69 0.68 -1.53 2.81 2.02 -0.20 -2.84 112.91 113.16 3phy h THR 14 Ca -0.00 -0.70 0.46 0.00 0.77 0.00 0.00 66.41 66.93 3phy h THR 14 Cb 0.62 1.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.97 3phy h THR 14 CO 0.01 0.13 1.07 -0.07 0.37 0.00 0.00 175.52 177.03 3phy h LEU 15 N -0.80 0.09 0.07 2.58 3.38 -1.11 0.40 115.31 119.91 3phy h LEU 15 Ca -0.04 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3phy h LEU 15 Cb 0.51 0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.32 3phy h LEU 15 CO 0.07 -0.05 -0.74 0.00 0.09 0.00 0.00 178.44 177.81 3phy h ALA 16 N 1.32 -0.00 -2.04 1.53 0.00 -1.31 -3.36 119.26 115.39 3phy h ALA 16 Ca 0.79 -0.64 -0.65 0.00 0.00 0.00 0.00 54.91 54.41 3phy h ALA 16 Cb 2.91 0.07 -0.38 0.00 0.00 0.00 0.00 17.79 20.39 3phy h ALA 16 CO -0.14 0.38 -0.20 1.17 0.00 0.00 0.00 179.25 180.46 3phy n LYS 17 N -4.15 3.62 -4.49 0.00 4.81 0.13 -5.02 118.16 113.07 3phy n LYS 17 Ca -0.12 -4.77 -0.21 0.00 -0.87 0.00 0.00 58.31 52.34 3phy n LYS 17 Cb 0.76 -2.31 -0.14 0.00 0.02 0.00 0.00 35.03 33.36 3phy n LYS 17 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 3phy s MET 18 N -3.39 1.04 -0.04 1.64 1.75 -0.55 -4.87 119.30 114.88 3phy s MET 18 Ca 0.44 -0.66 -0.01 0.00 -1.25 0.00 0.00 55.69 54.21 3phy s MET 18 Cb 0.22 -1.04 -0.00 0.00 2.84 0.00 0.00 34.83 36.85 3phy s MET 18 CO -0.09 0.27 -0.01 0.22 -0.65 0.00 0.00 175.02 174.76 3phy h ASP 19 N 5.28 0.00 0.00 1.11 1.82 -1.95 -3.50 116.42 119.18 3phy h ASP 19 Ca -0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 3phy h ASP 19 Cb 1.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.18 3phy h ASP 19 CO 0.46 0.22 0.00 -0.67 -1.61 0.00 0.00 179.24 177.64 3phy n ASP 20 N -3.18 0.00 -1.79 2.28 -0.08 -1.26 -4.94 116.55 107.58 3phy n ASP 20 Ca -0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 3phy n ASP 20 Cb 0.01 0.08 0.21 0.00 2.34 0.00 0.00 41.12 43.76 3phy n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3phy n GLY 21 N -1.03 3.39 0.06 0.27 0.00 -1.26 -4.23 105.19 102.39 3phy n GLY 21 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 3phy n GLY 21 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3phy h GLN 22 N 1.71 0.00 -2.19 1.61 4.15 -1.96 -3.43 115.11 115.00 3phy h GLN 22 Ca 0.29 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 59.15 3phy h GLN 22 Cb 2.11 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 29.39 3phy h GLN 22 CO 0.66 0.00 -0.82 1.28 -1.93 0.00 0.00 178.83 178.02 3phy n LEU 23 N -4.52 3.25 -0.00 -2.39 4.32 -1.26 -4.78 117.00 111.61 3phy n LEU 23 Ca -0.06 -5.45 0.05 0.00 -0.02 0.00 0.00 56.01 50.54 3phy n LEU 23 Cb 0.21 -0.14 -0.07 0.00 -1.62 0.00 0.00 43.42 41.80 3phy n LEU 23 CO 0.08 2.32 -0.09 -0.90 -1.22 0.00 0.00 177.39 177.59 3phy n ASP 24 N -0.02 0.72 -1.94 -1.43 5.75 -1.26 -4.45 116.55 113.91 3phy n ASP 24 Ca 0.29 -0.69 -0.14 0.00 -0.01 0.00 0.00 54.79 54.24 3phy n ASP 24 Cb 0.48 1.06 0.19 0.00 -1.03 0.00 0.00 41.12 41.82 3phy n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3phy n GLY 25 N 1.33 3.77 0.00 6.12 0.00 -1.26 -2.12 105.19 113.03 3phy n GLY 25 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.55 0.00 -0.22 0.99 4.77 -1.26 -4.97 117.00 115.75 3phy n LEU 26 Ca 0.44 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.46 3phy n LEU 26 Cb 1.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.47 3phy n LEU 26 CO 0.45 -0.81 0.22 0.00 -1.33 0.00 0.00 177.39 175.93 3phy n ALA 27 N -3.00 2.75 -3.74 -1.18 0.00 -1.26 -4.85 120.51 109.23 3phy n ALA 27 Ca 0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 52.74 3phy n ALA 27 Cb 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 19.45 18.97 3phy n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3phy s PHE 28 N -1.23 0.96 0.98 0.00 -0.71 -1.26 -2.99 117.98 113.74 3phy s PHE 28 Ca 0.08 -0.72 -0.15 0.00 -1.04 0.00 0.00 56.93 55.10 3phy s PHE 28 Cb 0.07 -0.99 0.01 0.00 -1.21 0.00 0.00 43.02 40.90 3phy s PHE 28 CO 0.22 -0.56 0.08 0.41 -1.34 0.00 0.00 175.22 174.03 3phy n GLY 29 N 5.07 -2.57 3.01 1.99 0.00 0.14 -4.56 105.19 108.26 3phy n GLY 29 Ca -0.09 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 3phy n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3phy s ALA 30 N -2.29 -0.46 0.13 4.61 0.00 -1.22 -0.98 121.76 121.55 3phy s ALA 30 Ca 0.53 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.42 3phy s ALA 30 Cb -0.18 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3phy s ALA 30 CO 0.70 -0.19 -0.11 0.96 0.00 0.00 0.00 175.76 177.12 3phy s ILE 31 N 1.25 1.11 0.32 0.00 -5.25 -1.02 -3.91 121.20 113.70 3phy s ILE 31 Ca -0.09 -1.87 0.10 0.00 -0.99 0.00 0.00 60.65 57.80 3phy s ILE 31 Cb -0.11 -1.63 -0.05 0.00 2.95 0.00 0.00 42.46 43.62 3phy s ILE 31 CO -0.08 -0.64 -0.03 -1.10 -1.79 0.00 0.00 174.94 171.31 3phy s GLN 32 N -3.27 2.04 -0.06 0.37 -0.21 -0.59 -1.14 119.66 116.79 3phy s GLN 32 Ca 0.12 -1.71 -0.10 0.00 0.02 0.00 0.00 55.36 53.69 3phy s GLN 32 Cb -0.00 -1.93 0.02 0.00 1.00 0.00 0.00 33.01 32.10 3phy s GLN 32 CO 0.01 0.20 0.26 -0.51 -2.12 0.00 0.00 175.29 173.13 3phy s LEU 33 N -3.67 1.03 0.41 2.90 1.43 0.07 -1.82 118.68 119.04 3phy s LEU 33 Ca 0.33 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 3phy s LEU 33 Cb -0.02 0.97 -0.00 0.00 0.03 0.00 0.00 46.19 47.17 3phy s LEU 33 CO 0.19 -0.22 0.59 -0.62 0.23 0.00 0.00 176.35 176.52 3phy s ASP 34 N -0.46 5.81 0.63 2.29 2.15 -0.01 -2.48 116.67 124.60 3phy s ASP 34 Ca -0.06 0.00 0.18 0.00 0.43 0.00 0.00 52.55 53.10 3phy s ASP 34 Cb -0.04 -1.26 0.79 0.00 -0.30 0.00 0.00 42.92 42.11 3phy s ASP 34 CO 0.01 -0.65 1.38 1.23 -0.17 0.00 0.00 175.17 176.98 3phy h GLY 35 N 0.58 0.00 -2.99 2.66 0.00 -1.92 0.44 103.07 101.84 3phy h GLY 35 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 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 -2.97 4.64 -0.52 0.19 8.00 -1.26 -4.88 116.55 119.74 3phy n ASP 36 Ca 0.08 -2.51 -0.05 0.00 0.71 0.00 0.00 54.79 53.03 3phy n ASP 36 Cb 1.02 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 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 0.98 0.39 3.74 0.44 0.00 0.15 -4.92 105.19 105.97 3phy n GLY 37 Ca 0.24 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.83 6.56 0.33 1.61 0.01 -1.21 -2.51 114.94 116.90 3phy s ASN 38 Ca 0.00 0.67 -0.29 0.00 -0.71 0.00 0.00 52.86 52.53 3phy s ASN 38 Cb 0.00 -2.23 -0.11 0.00 0.41 0.00 0.00 41.25 39.33 3phy s ASN 38 CO 0.00 0.09 1.49 -0.51 -1.51 0.00 0.00 177.10 176.66 3phy s ILE 39 N 0.35 2.20 -0.08 0.60 1.10 -1.18 -0.83 121.20 123.36 3phy s ILE 39 Ca 0.21 0.19 0.09 0.00 -0.51 0.00 0.00 60.65 60.63 3phy s ILE 39 Cb -0.14 -3.12 -0.12 0.00 0.15 0.00 0.00 42.46 39.22 3phy s ILE 39 CO 0.07 0.04 0.07 0.18 -2.11 0.00 0.00 174.94 173.19 3phy n LEU 40 N 1.19 0.00 -3.69 8.50 4.77 -0.75 -3.82 117.00 123.20 3phy n LEU 40 Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 3phy n LEU 40 Cb 0.39 0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 3phy n LEU 40 CO 0.63 0.19 0.15 -1.58 -1.33 0.00 0.00 177.39 175.45 3phy s GLN 41 N -2.31 0.79 0.08 3.23 -0.44 -1.26 -4.88 119.66 114.86 3phy s GLN 41 Ca -0.05 -0.07 0.00 0.00 -2.50 0.00 0.00 55.36 52.75 3phy s GLN 41 Cb 0.03 0.36 0.00 0.00 -1.64 0.00 0.00 33.01 31.76 3phy s GLN 41 CO 0.40 -0.23 0.00 0.98 0.50 0.00 0.00 175.29 176.94 3phy n TYR 42 N 1.15 -0.58 0.00 1.67 9.36 -1.25 -1.54 117.16 125.96 3phy n TYR 42 Ca -0.21 0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.12 3phy n TYR 42 Cb 0.56 0.29 0.00 0.00 -0.63 0.00 0.00 39.34 39.57 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 -3.04 0.00 -0.09 2.98 6.94 -1.26 -3.38 115.26 117.41 3phy n ASN 43 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.39 3phy n ASN 43 Cb 0.14 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.43 3phy n ASN 43 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3phy n ALA 44 N -0.11 1.32 -0.14 -2.53 0.00 -1.26 -4.21 120.51 113.59 3phy n ALA 44 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 3phy n ALA 44 Cb 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 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 0.18 -0.61 -0.13 0.00 0.00 -1.75 0.22 119.26 117.16 3phy h ALA 45 Ca -0.53 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.41 3phy h ALA 45 Cb 1.98 1.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.82 3phy h ALA 45 CO -0.03 -0.83 0.05 1.05 0.00 0.00 0.00 179.25 179.49 3phy h GLU 46 N -0.24 0.11 0.00 0.00 -0.00 -1.86 -0.88 114.58 111.71 3phy h GLU 46 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.42 3phy h GLU 46 Cb 0.41 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 3phy h GLU 46 CO -0.48 0.07 0.00 0.78 -0.00 0.00 0.00 179.01 179.38 3phy h GLY 47 N 0.11 0.00 1.64 1.06 0.00 -1.55 -0.38 103.07 103.95 3phy h GLY 47 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.14 3phy h GLY 47 CO -0.05 0.00 -1.25 -1.80 0.00 0.00 0.00 176.54 173.44 3phy h ASP 48 N 0.00 0.00 0.00 0.19 1.82 0.88 0.12 116.42 119.43 3phy h ASP 48 Ca 0.00 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 3phy h ASP 48 Cb 0.05 -0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.05 3phy h ASP 48 CO 0.00 1.00 -0.17 0.40 -1.61 0.00 0.00 179.24 178.86 3phy h ILE 49 N 0.00 0.76 0.00 2.25 1.08 -0.87 -3.35 117.51 117.37 3phy h ILE 49 Ca -0.11 -1.62 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 3phy h ILE 49 Cb 1.86 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 37.08 3phy h ILE 49 CO 0.11 0.26 -0.25 0.35 -0.69 0.00 0.00 178.15 177.93 3phy n THR 50 N -4.67 0.15 -0.30 -0.27 -2.24 -0.72 -4.90 114.28 101.32 3phy n THR 50 Ca -0.08 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3phy n THR 50 Cb 0.27 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.45 1.64 3.67 3.38 0.00 0.38 -4.98 105.19 110.73 3phy n GLY 51 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.57 3phy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy n ARG 52 N -2.00 1.76 -3.13 1.61 1.74 -1.05 -4.85 116.66 110.74 3phy n ARG 52 Ca 0.00 0.64 -0.29 0.00 -0.77 0.00 0.00 57.85 57.43 3phy n ARG 52 Cb 0.00 -2.40 -0.03 0.00 -1.02 0.00 0.00 32.46 29.01 3phy n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3phy s ASP 53 N 2.77 6.47 -0.10 0.55 1.01 -1.26 -4.04 116.67 122.06 3phy s ASP 53 Ca 0.90 0.87 -0.19 0.00 0.71 0.00 0.00 52.55 54.85 3phy s ASP 53 Cb -0.82 -2.21 -0.16 0.00 1.01 0.00 0.00 42.92 40.74 3phy s ASP 53 CO 0.52 -0.29 0.60 1.55 0.21 0.00 0.00 175.17 177.76 3phy h PRO 54 N 1.46 -0.06 0.00 8.23 0.13 -1.93 -1.91 132.00 137.92 3phy h PRO 54 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3phy h PRO 54 Cb 1.19 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3phy h PRO 54 CO 0.65 0.48 -0.05 0.87 -0.23 0.00 0.00 178.00 179.72 3phy h LYS 55 N -0.95 0.00 0.11 0.86 1.57 -1.96 -1.34 116.57 114.87 3phy h LYS 55 Ca -0.01 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 3phy h LYS 55 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3phy h LYS 55 CO 0.01 0.05 -1.84 1.96 -0.57 0.00 0.00 179.45 179.06 3phy h GLN 56 N 0.00 0.23 0.00 3.15 4.20 -1.98 -3.32 115.11 117.39 3phy h GLN 56 Ca -0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.32 3phy h GLN 56 Cb 0.25 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3phy h GLN 56 CO 0.01 1.19 0.00 1.33 -0.67 0.00 0.00 178.83 180.68 3phy n VAL 57 N -3.67 0.03 -2.26 -0.54 0.24 -0.72 -4.56 118.33 106.86 3phy n VAL 57 Ca -0.31 0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 3phy n VAL 57 Cb 0.98 -0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.13 3.90 0.00 1.34 1.01 -0.52 -1.59 121.20 123.21 3phy s ILE 58 Ca 0.38 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.22 3phy s ILE 58 Cb 0.19 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.90 3phy s ILE 58 CO 0.34 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3phy n GLY 59 N 3.72 2.35 3.75 6.18 0.00 -1.25 -4.99 105.19 114.94 3phy n GLY 59 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3phy n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3phy s LYS 60 N -0.53 4.79 -0.45 1.61 -0.14 -0.62 -4.74 119.74 119.66 3phy s LYS 60 Ca 0.00 1.53 -0.29 0.00 -1.36 0.00 0.00 55.97 55.85 3phy s LYS 60 Cb 0.00 -3.29 0.02 0.00 -1.68 0.00 0.00 37.83 32.88 3phy s LYS 60 CO 0.00 0.40 1.35 -0.80 -0.76 0.00 0.00 175.35 175.54 3phy s ASN 61 N -0.87 6.38 0.56 2.83 0.02 -1.26 -3.13 114.94 119.46 3phy s ASN 61 Ca 0.43 0.66 0.34 0.00 -1.02 0.00 0.00 52.86 53.27 3phy s ASN 61 Cb -0.26 -2.54 1.47 0.00 0.02 0.00 0.00 41.25 39.94 3phy s ASN 61 CO 0.33 -1.43 2.03 0.15 0.02 0.00 0.00 177.10 178.19 3phy h PHE 62 N 10.41 0.00 -0.00 2.20 3.57 -1.85 0.36 116.94 131.63 3phy h PHE 62 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 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 0.98 0.02 -0.10 1.19 -2.23 0.00 0.00 178.31 178.17 3phy n PHE 63 N -3.14 0.00 0.00 0.41 3.72 -1.26 -2.74 117.46 114.45 3phy n PHE 63 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3phy n PHE 63 Cb 0.28 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3phy n PHE 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3phy n LYS 64 N -0.85 0.00 0.00 -1.08 5.02 -0.99 -3.92 118.16 116.35 3phy n LYS 64 Ca 0.15 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.59 3phy n LYS 64 Cb 0.28 -0.04 0.78 0.00 -0.02 0.00 0.00 35.03 36.02 3phy n LYS 64 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3phy n ASP 65 N -2.14 0.18 0.08 4.39 2.03 0.11 -4.45 116.55 116.75 3phy n ASP 65 Ca 0.00 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.73 3phy n ASP 65 Cb 0.00 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 3phy n ASP 65 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3phy n VAL 66 N -1.05 0.79 -3.66 5.18 0.31 -0.38 -4.79 118.33 114.73 3phy n VAL 66 Ca 0.18 0.26 -0.39 0.00 -0.01 0.00 0.00 64.34 64.37 3phy n VAL 66 Cb 0.21 -1.23 -0.11 0.00 -0.91 0.00 0.00 33.84 31.80 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 3.20 -2.00 3.52 0.00 -1.11 -4.94 121.76 118.43 3phy s ALA 67 Ca 0.00 -1.98 0.20 0.00 0.00 0.00 0.00 51.96 50.17 3phy s ALA 67 Cb 0.00 -2.51 1.18 0.00 0.00 0.00 0.00 23.12 21.79 3phy s ALA 67 CO 0.00 -1.52 1.64 -0.35 0.00 0.00 0.00 175.76 175.53 3phy n PRO 68 N 4.88 0.81 -0.01 0.00 -0.04 -1.26 -3.00 135.00 136.37 3phy n PRO 68 Ca -0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 3phy n PRO 68 Cb 0.44 -1.38 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.98 0.10 -1.67 0.00 -2.24 -1.16 -3.77 114.28 103.56 3phy n THR 70 Ca -0.02 0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 3phy n THR 70 Cb 0.40 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 3phy n THR 70 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3phy n ASP 71 N -1.11 6.99 -4.45 3.42 -0.08 -1.25 -1.37 116.55 118.69 3phy n ASP 71 Ca 0.16 -3.19 -0.30 0.00 -1.51 0.00 0.00 54.79 49.95 3phy n ASP 71 Cb 0.12 -1.27 -0.08 0.00 2.34 0.00 0.00 41.12 42.23 3phy n ASP 71 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3phy s SER 72 N 0.34 3.51 0.00 1.67 0.15 -1.25 -4.90 113.70 113.22 3phy s SER 72 Ca 0.57 -1.66 0.29 0.00 0.70 0.00 0.00 55.95 55.85 3phy s SER 72 Cb 0.32 0.51 1.68 0.00 -1.71 0.00 0.00 66.02 66.82 3phy s SER 72 CO -0.18 -0.89 2.06 -0.81 1.20 0.00 0.00 173.24 174.62 3phy n PRO 73 N -1.10 0.81 -0.03 5.44 -0.04 -1.26 -0.42 135.00 138.40 3phy n PRO 73 Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 3phy n PRO 73 Cb 0.66 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.53 3phy n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3phy n GLU 74 N -1.06 1.46 0.00 0.54 4.71 -1.26 -3.67 120.64 121.36 3phy n GLU 74 Ca 0.20 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 3phy n GLU 74 Cb 0.13 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.28 3phy n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3phy n PHE 75 N -2.19 0.00 0.33 -0.32 -0.00 -1.21 -4.07 117.46 110.00 3phy n PHE 75 Ca -0.11 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.49 3phy n PHE 75 Cb 0.62 0.00 0.55 0.00 -0.00 0.00 0.00 39.48 40.65 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 0.39 -5.13 3.20 -0.37 -2.91 116.97 112.15 3phy h TYR 76 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3phy h TYR 76 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3phy h TYR 76 CO 0.00 0.00 -0.19 0.78 -1.64 0.00 0.00 178.16 177.11 3phy h GLY 77 N 2.53 -0.55 2.00 1.82 0.00 -0.84 0.46 103.07 108.49 3phy h GLY 77 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3phy h GLY 77 CO 0.00 -0.20 0.00 0.50 0.00 0.00 0.00 176.54 176.84 3phy h LYS 78 N -0.65 0.00 0.15 4.80 1.79 -1.63 -1.66 116.57 119.37 3phy h LYS 78 Ca -0.05 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.10 3phy h LYS 78 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3phy h LYS 78 CO 0.09 0.00 -1.54 0.35 -1.08 0.00 0.00 179.45 177.27 3phy h PHE 79 N 0.00 0.58 0.00 -1.35 3.04 -1.36 -1.62 116.94 116.22 3phy h PHE 79 Ca 0.00 -0.42 0.00 0.00 3.98 0.00 0.00 57.97 61.53 3phy h PHE 79 Cb 0.10 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.59 3phy h PHE 79 CO 0.00 1.45 0.00 1.63 -2.02 0.00 0.00 178.31 179.37 3phy n LYS 80 N -3.52 0.13 -0.10 1.11 5.02 0.14 -1.63 118.16 119.31 3phy n LYS 80 Ca -0.17 0.20 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 3phy n LYS 80 Cb 1.06 -1.68 -0.12 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.91 0.66 -0.33 1.97 0.28 -1.00 -3.51 120.64 116.80 3phy n GLU 81 Ca 0.05 0.22 -0.01 0.00 -0.16 0.00 0.00 57.16 57.26 3phy n GLU 81 Cb 0.32 -1.57 0.15 0.00 1.43 0.00 0.00 31.44 31.77 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 1.09 1.31 0.99 -1.84 0.00 -1.27 0.38 103.07 103.73 3phy h GLY 82 Ca -0.55 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.28 3phy h GLY 82 CO -0.12 0.48 0.27 -2.08 0.00 0.00 0.00 176.54 175.09 3phy h VAL 83 N 1.26 1.14 -0.00 4.60 2.07 -1.47 -1.30 116.25 122.55 3phy h VAL 83 Ca 0.34 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3phy h VAL 83 Cb -0.14 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3phy h VAL 83 CO -0.07 0.14 -0.07 0.00 0.02 0.00 0.00 177.57 177.59 3phy n ALA 84 N -2.24 2.70 -0.03 1.67 0.00 -0.68 -3.55 120.51 118.38 3phy n ALA 84 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 53.44 53.20 3phy n ALA 84 Cb 0.05 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 3phy n ALA 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3phy n SER 85 N -0.82 0.22 0.00 0.00 7.64 0.13 -4.97 113.62 115.82 3phy n SER 85 Ca 0.17 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.14 3phy n SER 85 Cb 0.25 1.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 3phy n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3phy n GLY 86 N 1.45 0.51 2.65 0.23 0.00 -0.56 -4.91 105.19 104.57 3phy n GLY 86 Ca -0.15 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 0.88 -1.56 -4.70 1.61 4.13 -1.20 -5.05 115.26 109.38 3phy n ASN 87 Ca 0.00 -3.15 -0.54 0.00 1.68 0.00 0.00 54.58 52.57 3phy n ASN 87 Cb 0.00 1.16 -0.06 0.00 -1.54 0.00 0.00 39.78 39.34 3phy n ASN 87 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3phy n LEU 88 N 0.01 2.69 -3.13 3.41 0.00 -1.22 -4.78 117.00 113.98 3phy n LEU 88 Ca 0.05 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.11 3phy n LEU 88 Cb 0.75 -1.22 -0.01 0.00 0.00 0.00 0.00 43.42 42.95 3phy n LEU 88 CO 0.04 -0.34 0.11 0.54 0.00 0.00 0.00 177.39 177.73 3phy s ASN 89 N 3.53 -1.49 0.21 1.96 2.20 -1.26 -0.59 114.94 119.51 3phy s ASN 89 Ca 0.96 -0.91 -0.08 0.00 -0.94 0.00 0.00 52.86 51.89 3phy s ASN 89 Cb -0.95 1.91 -0.02 0.00 -2.00 0.00 0.00 41.25 40.19 3phy s ASN 89 CO 0.60 -0.15 0.32 0.28 -2.94 0.00 0.00 177.10 175.21 3phy s THR 90 N 1.70 0.01 0.26 0.54 -1.32 -0.97 -5.04 115.64 110.82 3phy s THR 90 Ca 0.18 -1.61 -0.16 0.00 -1.21 0.00 0.00 61.69 58.89 3phy s THR 90 Cb -0.03 -2.23 0.01 0.00 -1.51 0.00 0.00 72.50 68.73 3phy s THR 90 CO -0.07 -0.06 0.58 0.00 -2.21 0.00 0.00 174.62 172.85 3phy s MET 91 N -4.06 1.66 0.00 7.08 0.23 -1.26 -1.73 119.30 121.23 3phy s MET 91 Ca 0.27 -1.17 0.00 0.00 -1.03 0.00 0.00 55.69 53.76 3phy s MET 91 Cb 0.03 0.53 0.00 0.00 -1.53 0.00 0.00 34.83 33.85 3phy s MET 91 CO 0.08 -0.72 0.00 1.97 -2.03 0.00 0.00 175.02 174.32 3phy n PHE 92 N -0.42 0.00 -2.64 3.16 1.16 -1.18 -4.99 117.46 112.55 3phy n PHE 92 Ca -0.03 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.12 3phy n PHE 92 Cb 0.61 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.45 3phy n PHE 92 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3phy s GLU 93 N -2.00 3.80 0.49 3.97 2.02 -1.26 -1.74 118.70 123.98 3phy s GLU 93 Ca 0.00 0.65 0.03 0.00 0.02 0.00 0.00 54.97 55.68 3phy s GLU 93 Cb 0.00 -3.86 0.03 0.00 0.10 0.00 0.00 34.13 30.40 3phy s GLU 93 CO 0.00 -1.22 0.26 0.98 0.02 0.00 0.00 175.26 175.30 3phy n TYR 94 N 7.47 -0.14 -3.47 1.61 9.36 -0.78 -4.99 117.16 126.23 3phy n TYR 94 Ca 0.11 -2.18 -0.17 0.00 3.32 0.00 0.00 57.90 58.98 3phy n TYR 94 Cb 0.48 -0.38 -0.12 0.00 -0.63 0.00 0.00 39.34 38.69 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 -2.55 -0.37 -0.92 2.97 2.01 -1.26 -2.69 115.64 112.84 3phy s THR 95 Ca 0.20 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 3phy s THR 95 Cb -0.02 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.82 3phy s THR 95 CO 0.13 -0.20 1.43 -0.36 -0.69 0.00 0.00 174.62 174.92 3phy s PHE 96 N 2.36 2.40 -0.27 4.92 0.08 -0.38 -4.76 117.98 122.33 3phy s PHE 96 Ca 0.08 -0.49 0.09 0.00 0.12 0.00 0.00 56.93 56.73 3phy s PHE 96 Cb -0.16 -4.63 0.47 0.00 -0.57 0.00 0.00 43.02 38.13 3phy s PHE 96 CO -0.13 -1.98 1.37 -3.47 -0.10 0.00 0.00 175.22 170.90 3phy n ASP 97 N 9.36 2.53 -4.85 1.36 -0.08 -1.26 -1.90 116.55 121.70 3phy n ASP 97 Ca 0.24 -3.84 -0.31 0.00 -1.51 0.00 0.00 54.79 49.37 3phy n ASP 97 Cb 0.50 -0.58 0.01 0.00 2.34 0.00 0.00 41.12 43.39 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 -3.30 3.49 0.00 -0.67 1.13 -1.26 -4.46 117.35 112.27 3phy s TYR 98 Ca 0.43 1.34 0.00 0.00 -1.41 0.00 0.00 57.07 57.44 3phy s TYR 98 Cb 0.40 -2.77 0.00 0.00 -1.10 0.00 0.00 41.96 38.49 3phy s TYR 98 CO -0.03 -0.77 0.00 0.00 -2.51 0.00 0.00 175.55 172.25 3phy n GLN 99 N -2.65 0.00 -2.24 -3.49 -0.00 -1.26 -4.44 117.38 103.30 3phy n GLN 99 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.06 3phy n GLN 99 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.78 3phy n GLN 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3phy n MET 100 N 0.00 0.00 -2.52 2.61 1.56 -1.26 -5.14 117.12 112.37 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 0.09 0.00 2.15 0.00 0.00 33.22 35.46 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 -3.28 2.29 -0.63 1.12 -4.23 -1.26 -4.98 115.64 104.67 3phy s THR 101 Ca 0.00 -0.55 -0.28 0.00 -1.18 0.00 0.00 61.69 59.68 3phy s THR 101 Cb 0.00 -2.74 0.03 0.00 1.34 0.00 0.00 72.50 71.13 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 -5.09 3.35 -0.01 3.99 0.04 -1.26 -4.36 135.00 131.67 3phy s PRO 102 Ca 0.64 0.13 -0.04 0.00 0.04 0.00 0.00 61.00 61.76 3phy s PRO 102 Cb -0.07 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 3phy s PRO 102 CO 0.43 -1.91 0.21 0.99 0.04 0.00 0.00 177.00 176.77 3phy s THR 103 N 5.50 5.39 -0.06 1.26 2.01 -0.80 -4.96 115.64 123.98 3phy s THR 103 Ca 0.42 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.46 3phy s THR 103 Cb -0.08 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 3phy s THR 103 CO 0.22 0.35 -0.24 -0.75 -0.69 0.00 0.00 174.62 173.51 3phy s LYS 104 N -1.83 2.54 -0.09 4.92 2.47 -1.26 -1.24 119.74 125.24 3phy s LYS 104 Ca 0.27 -0.89 -0.19 0.00 -1.56 0.00 0.00 55.97 53.60 3phy s LYS 104 Cb -0.13 -2.18 0.04 0.00 -1.46 0.00 0.00 37.83 34.10 3phy s LYS 104 CO 0.17 0.41 0.46 0.14 0.16 0.00 0.00 175.35 176.69 3phy s VAL 105 N -0.22 0.02 -0.35 4.02 -7.23 -1.09 -2.14 120.40 113.40 3phy s VAL 105 Ca -0.02 -0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 59.81 3phy s VAL 105 Cb -0.13 -0.72 -0.00 0.00 0.56 0.00 0.00 36.38 36.08 3phy s VAL 105 CO 0.03 -0.09 0.49 -1.59 -0.31 0.00 0.00 175.10 173.63 3phy s LYS 106 N -0.61 3.59 0.58 4.82 -2.85 -0.72 -1.87 119.74 122.67 3phy s LYS 106 Ca -0.07 -0.23 -0.05 0.00 -1.00 0.00 0.00 55.97 54.62 3phy s LYS 106 Cb -0.03 -3.82 0.01 0.00 -2.06 0.00 0.00 37.83 31.93 3phy s LYS 106 CO 0.04 -0.64 0.89 0.14 0.10 0.00 0.00 175.35 175.88 3phy s VAL 107 N 2.33 3.68 -0.29 1.79 -7.23 -0.71 -1.91 120.40 118.06 3phy s VAL 107 Ca 0.17 -0.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.36 3phy s VAL 107 Cb -0.16 -3.45 0.20 0.00 0.56 0.00 0.00 36.38 33.53 3phy s VAL 107 CO 0.13 -0.46 0.59 -2.28 -0.31 0.00 0.00 175.10 172.77 3phy s HIS 108 N -2.96 -1.79 0.09 2.82 5.04 -0.48 -3.13 115.29 114.88 3phy s HIS 108 Ca 0.54 1.18 0.07 0.00 -1.54 0.00 0.00 55.06 55.31 3phy s HIS 108 Cb -0.10 0.35 -0.04 0.00 0.04 0.00 0.00 32.58 32.83 3phy s HIS 108 CO 0.45 -1.05 -0.13 -1.64 -2.34 0.00 0.00 174.74 170.04 3phy s MET 109 N 2.83 2.08 0.34 2.88 1.00 -0.70 -1.40 119.30 126.33 3phy s MET 109 Ca 0.12 -1.02 0.02 0.00 0.00 0.00 0.00 55.69 54.81 3phy s MET 109 Cb -0.11 -2.27 -0.01 0.00 0.00 0.00 0.00 34.83 32.44 3phy s MET 109 CO -0.25 0.51 0.38 0.21 0.00 0.00 0.00 175.02 175.87 3phy s LYS 110 N -2.02 1.83 -0.54 2.03 2.20 -0.11 -2.30 119.74 120.82 3phy s LYS 110 Ca 0.19 -1.89 -0.26 0.00 -0.36 0.00 0.00 55.97 53.66 3phy s LYS 110 Cb -0.11 0.39 0.03 0.00 -1.51 0.00 0.00 37.83 36.63 3phy s LYS 110 CO 0.11 -0.72 1.04 -1.59 -0.36 0.00 0.00 175.35 173.83 3phy s LYS 111 N -3.24 3.45 0.79 4.03 -2.85 0.24 -1.54 119.74 120.62 3phy s LYS 111 Ca 0.36 0.04 -0.15 0.00 -1.00 0.00 0.00 55.97 55.21 3phy s LYS 111 Cb 0.01 -4.01 -0.01 0.00 -2.06 0.00 0.00 37.83 31.76 3phy s LYS 111 CO 0.24 -1.51 0.57 0.00 0.10 0.00 0.00 175.35 174.75 3phy n ALA 112 N 7.79 -1.62 0.45 0.59 0.00 -0.84 -4.70 120.51 122.18 3phy n ALA 112 Ca 0.05 -0.34 0.10 0.00 0.00 0.00 0.00 53.44 53.26 3phy n ALA 112 Cb 0.48 -1.88 -0.15 0.00 0.00 0.00 0.00 19.45 17.90 3phy n ALA 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3phy n LEU 113 N -0.87 0.46 0.04 0.00 0.00 -1.26 -2.43 117.00 112.94 3phy n LEU 113 Ca 0.10 -0.23 0.22 0.00 0.00 0.00 0.00 56.01 56.09 3phy n LEU 113 Cb 0.51 0.00 0.69 0.00 0.00 0.00 0.00 43.42 44.62 3phy n LEU 113 CO 0.50 0.11 1.19 -1.28 0.00 0.00 0.00 177.39 177.92 3phy h SER 114 N 0.00 0.00 0.00 1.96 0.87 -1.91 -3.36 113.55 111.12 3phy h SER 114 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3phy h SER 114 Cb 0.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 3phy h SER 114 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 3phy n GLY 115 N -1.52 0.00 3.39 5.77 0.00 -1.26 -4.98 105.19 106.60 3phy n GLY 115 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.04 0.00 1.61 9.92 -1.13 -5.01 116.55 116.90 3phy n ASP 116 Ca 0.00 -0.75 0.00 0.00 -0.53 0.00 0.00 54.79 53.51 3phy n ASP 116 Cb 0.00 -4.81 0.00 0.00 -0.64 0.00 0.00 41.12 35.67 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 -3.11 0.05 -3.44 -2.24 7.64 -1.02 -4.84 113.62 106.66 3phy n SER 117 Ca -0.14 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.55 3phy n SER 117 Cb 0.63 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.72 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 2.20 -0.32 -0.03 1.43 2.02 -1.04 -1.99 117.35 119.63 3phy s TYR 118 Ca 0.00 -0.16 -0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3phy s TYR 118 Cb 0.00 -0.49 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 3phy s TYR 118 CO 0.00 -0.83 0.03 1.67 -1.57 0.00 0.00 175.55 174.85 3phy s TRP 119 N 2.32 3.18 -0.27 2.71 1.48 -0.59 -0.75 118.94 127.02 3phy s TRP 119 Ca 0.09 0.16 0.03 0.00 -1.06 0.00 0.00 56.10 55.31 3phy s TRP 119 Cb -0.15 -1.73 0.07 0.00 -1.16 0.00 0.00 33.47 30.51 3phy s TRP 119 CO -0.28 0.50 -0.06 0.08 -4.06 0.00 0.00 176.95 173.13 3phy s VAL 120 N -1.07 2.03 -0.22 -0.66 1.01 -0.29 -0.94 120.40 120.25 3phy s VAL 120 Ca 0.19 -1.68 -0.17 0.00 0.00 0.00 0.00 61.98 60.31 3phy s VAL 120 Cb -0.12 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3phy s VAL 120 CO 0.09 -0.17 0.47 -0.36 0.00 0.00 0.00 175.10 175.14 3phy s PHE 121 N 1.14 3.33 -0.29 5.22 0.08 -0.49 -2.44 117.98 124.53 3phy s PHE 121 Ca -0.04 0.66 -0.10 0.00 0.12 0.00 0.00 56.93 57.57 3phy s PHE 121 Cb -0.20 -2.63 -0.03 0.00 -0.57 0.00 0.00 43.02 39.59 3phy s PHE 121 CO -0.06 -0.13 0.16 0.08 -0.10 0.00 0.00 175.22 175.17 3phy s VAL 122 N 1.75 4.89 -0.47 -0.44 1.01 -0.15 -1.38 120.40 125.60 3phy s VAL 122 Ca 0.21 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 3phy s VAL 122 Cb -0.15 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.89 3phy s VAL 122 CO 0.09 0.18 0.50 -0.75 0.00 0.00 0.00 175.10 175.12 3phy s LYS 123 N 1.68 3.07 0.25 2.72 2.20 -0.80 0.26 119.74 129.12 3phy s LYS 123 Ca 0.06 -1.01 -0.31 0.00 -0.36 0.00 0.00 55.97 54.36 3phy s LYS 123 Cb -0.16 -4.07 -0.13 0.00 -1.51 0.00 0.00 37.83 31.95 3phy s LYS 123 CO 0.08 -1.05 1.34 -2.13 -0.36 0.00 0.00 175.35 173.22 3phy n ARG 124 N 5.69 1.91 0.00 4.03 0.63 -1.16 -1.75 116.66 126.01 3phy n ARG 124 Ca -0.09 0.68 0.13 0.00 -0.92 0.00 0.00 57.85 57.65 3phy n ARG 124 Cb 0.45 -2.29 0.23 0.00 0.45 0.00 0.00 32.46 31.30 3phy n ARG 124 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40