#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfr h GLN 2 N 0.00 0.90 -0.19 1.43 4.20 -1.93 -1.24 115.11 118.27 1xfr h GLN 2 Ca 0.00 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.71 1xfr h GLN 2 Cb 0.00 -0.20 -0.06 0.00 0.30 0.00 0.00 27.48 27.52 1xfr h GLN 2 CO 0.00 0.59 -0.19 1.49 -0.67 0.00 0.00 178.83 180.06 1xfr h GLU 3 N 0.92 -0.20 -0.09 1.46 4.81 -2.00 0.53 114.58 120.02 1xfr h GLU 3 Ca 0.42 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.63 1xfr h GLU 3 Cb 0.33 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1xfr h GLU 3 CO -0.23 -0.13 -0.08 -0.24 -0.73 0.00 0.00 179.01 177.60 1xfr h VAL 4 N -0.21 1.36 -0.49 0.32 3.04 -1.81 -2.93 116.25 115.55 1xfr h VAL 4 Ca 0.12 -1.24 0.10 0.00 -1.01 0.00 0.00 66.70 64.67 1xfr h VAL 4 Cb 0.38 2.00 -0.10 0.00 -2.01 0.00 0.00 31.29 31.56 1xfr h VAL 4 CO -0.31 0.35 -0.27 -0.03 -1.01 0.00 0.00 177.57 176.29 1xfr h MET 5 N -0.21 -0.15 -0.38 4.17 1.85 -0.89 0.25 114.93 119.57 1xfr h MET 5 Ca 0.01 0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.17 1xfr h MET 5 Cb 0.60 0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.62 1xfr h MET 5 CO 0.02 -0.10 0.11 -0.22 -0.40 0.00 0.00 176.91 176.32 1xfr h LYS 6 N -0.16 0.24 -0.28 0.39 3.64 -0.95 -0.67 116.57 118.79 1xfr h LYS 6 Ca 0.22 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1xfr h LYS 6 Cb 0.51 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1xfr h LYS 6 CO -0.58 0.16 -0.28 -0.97 -2.27 0.00 0.00 179.45 175.51 1xfr h ASN 7 N 0.25 0.56 0.50 4.20 -1.24 -0.98 -0.14 115.58 118.73 1xfr h ASN 7 Ca 0.18 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 1xfr h ASN 7 Cb 0.18 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1xfr h ASN 7 CO -0.21 0.82 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.45 1xfr h LEU 8 N 0.48 -0.57 0.00 0.34 3.38 -0.36 -0.52 115.31 118.06 1xfr h LEU 8 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xfr h LEU 8 Cb 0.73 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1xfr h LEU 8 CO 0.06 -0.39 0.00 -0.24 0.09 0.00 0.00 178.44 177.96 1xfr n SER 9 N -5.37 0.00 -0.09 -0.43 2.88 -0.27 -0.57 113.62 109.77 1xfr n SER 9 Ca -0.12 -0.25 -0.17 0.00 -1.33 0.00 0.00 58.87 56.99 1xfr n SER 9 Cb 0.28 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 1xfr n SER 9 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xfr n LEU 10 N -0.94 1.63 -0.13 2.46 0.00 -0.10 -4.51 117.00 115.40 1xfr n LEU 10 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 56.01 56.34 1xfr n LEU 10 Cb 0.02 -0.65 0.28 0.00 0.00 0.00 0.00 43.42 43.07 1xfr n LEU 10 CO 0.04 0.14 1.14 0.78 0.00 0.00 0.00 177.39 179.49 1xfr h ASN 11 N -0.79 0.73 -0.64 1.96 2.35 -0.89 -2.83 115.58 115.47 1xfr h ASN 11 Ca -0.34 -0.05 0.13 0.00 -0.55 0.00 0.00 56.30 55.49 1xfr h ASN 11 Cb 1.22 -0.18 -0.12 0.00 0.05 0.00 0.00 38.32 39.29 1xfr h ASN 11 CO -0.21 0.59 -0.12 0.15 -1.65 0.00 0.00 177.43 176.18 1xfr h PHE 12 N 0.83 -0.27 -0.23 1.19 3.57 -1.07 -1.41 116.94 119.54 1xfr h PHE 12 Ca 0.21 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1xfr h PHE 12 Cb 0.02 0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1xfr h PHE 12 CO 0.00 -0.26 0.00 0.41 -2.23 0.00 0.00 178.31 176.24 1xfr n GLY 13 N -1.42 0.36 0.32 2.40 0.00 -1.07 -4.46 105.19 101.31 1xfr n GLY 13 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.85 1xfr n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfr h LYS 14 N 1.36 0.91 -0.63 1.61 1.79 -1.31 -2.29 116.57 118.00 1xfr h LYS 14 Ca 0.00 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1xfr h LYS 14 Cb 0.40 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1xfr h LYS 14 CO 0.02 0.60 0.01 0.00 -1.08 0.00 0.00 179.45 179.00 1xfr n ALA 15 N -2.35 3.75 -0.06 3.86 0.00 -1.26 -4.61 120.51 119.83 1xfr n ALA 15 Ca 0.12 -1.71 -0.07 0.00 0.00 0.00 0.00 53.44 51.78 1xfr n ALA 15 Cb 0.18 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1xfr n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xfr h LEU 16 N 3.52 -0.54 -0.99 0.00 5.85 -1.72 -1.12 115.31 120.30 1xfr h LEU 16 Ca 0.00 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 1xfr h LEU 16 Cb 1.83 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 43.13 1xfr h LEU 16 CO 0.44 -0.20 -0.27 -0.78 -0.34 0.00 0.00 178.44 177.29 1xfr h ASP 17 N -0.14 0.41 0.85 1.25 3.58 -1.84 0.14 116.42 120.67 1xfr h ASP 17 Ca 0.15 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1xfr h ASP 17 Cb 0.36 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1xfr h ASP 17 CO -0.36 0.67 -0.48 -0.33 -2.88 0.00 0.00 179.24 175.86 1xfr h GLU 18 N 0.36 -1.19 -0.88 0.28 4.39 -1.76 0.82 114.58 116.59 1xfr h GLU 18 Ca 0.05 0.08 0.16 0.00 0.34 0.00 0.00 59.36 59.99 1xfr h GLU 18 Cb 0.67 0.27 -0.10 0.00 -0.10 0.00 0.00 28.75 29.49 1xfr h GLU 18 CO 0.05 -0.79 0.47 0.00 -1.16 0.00 0.00 179.01 177.58 1xfr h LYS 20 N 0.65 -0.98 -0.82 0.00 1.57 -0.47 -1.74 116.57 114.78 1xfr h LYS 20 Ca 0.49 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.33 1xfr h LYS 20 Cb 0.71 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 1xfr h LYS 20 CO -0.37 -0.65 0.48 0.87 -0.57 0.00 0.00 179.45 179.20 1xfr h LYS 21 N -1.01 1.13 -0.11 3.15 1.57 -0.22 0.10 116.57 121.19 1xfr h LYS 21 Ca -0.09 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1xfr h LYS 21 Cb 0.82 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1xfr h LYS 21 CO 0.08 0.82 -0.05 0.93 -0.57 0.00 0.00 179.45 180.66 1xfr h GLU 22 N 1.14 -0.04 -0.01 3.15 4.39 -0.76 -3.24 114.58 119.20 1xfr h GLU 22 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1xfr h GLU 22 Cb -0.01 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xfr h GLU 22 CO -0.05 -0.03 -0.48 -1.33 -1.16 0.00 0.00 179.01 175.96 1xfr n MET 23 N -5.18 1.16 -3.41 2.33 2.81 -0.66 -4.99 117.12 109.19 1xfr n MET 23 Ca -0.04 -0.95 -0.27 0.00 -1.81 0.00 0.00 57.70 54.63 1xfr n MET 23 Cb 0.11 -1.48 0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1xfr n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1xfr n THR 24 N -0.09 -3.30 -2.83 2.03 -1.04 0.16 -5.06 114.28 104.15 1xfr n THR 24 Ca 0.09 0.22 -0.12 0.00 -2.04 0.00 0.00 64.05 62.20 1xfr n THR 24 Cb 0.46 -3.37 0.05 0.00 -1.82 0.00 0.00 70.33 65.65 1xfr n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1xfr n LEU 25 N 0.30 0.00 -4.92 -4.42 4.77 -0.05 -5.02 117.00 107.66 1xfr n LEU 25 Ca -0.06 -1.40 -0.24 0.00 -0.03 0.00 0.00 56.01 54.29 1xfr n LEU 25 Cb 0.63 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1xfr n LEU 25 CO 0.38 -0.68 0.09 0.42 -1.33 0.00 0.00 177.39 176.26 1xfr s THR 26 N -1.34 2.01 -1.07 -5.08 -4.23 -1.26 -4.76 115.64 99.91 1xfr s THR 26 Ca 0.37 -1.37 0.23 0.00 -1.18 0.00 0.00 61.69 59.75 1xfr s THR 26 Cb -0.03 -2.38 -0.08 0.00 1.34 0.00 0.00 72.50 71.36 1xfr s THR 26 CO 0.24 0.00 1.21 -0.90 -0.54 0.00 0.00 174.62 174.63 1xfr n ASP 27 N -1.79 0.77 0.16 3.99 5.75 -1.26 -4.26 116.55 119.92 1xfr n ASP 27 Ca 0.03 -0.62 0.05 0.00 -0.01 0.00 0.00 54.79 54.24 1xfr n ASP 27 Cb 0.63 0.55 0.49 0.00 -1.03 0.00 0.00 41.12 41.76 1xfr n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xfr h ALA 28 N 3.06 1.71 0.00 2.12 0.00 -2.02 -0.16 119.26 123.98 1xfr h ALA 28 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xfr h ALA 28 Cb 0.51 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xfr h ALA 28 CO 0.00 0.22 -0.06 -0.84 0.00 0.00 0.00 179.25 178.57 1xfr h ILE 29 N 0.17 0.74 -0.12 0.00 3.07 -1.97 -1.97 117.51 117.42 1xfr h ILE 29 Ca 0.04 -0.24 -0.02 0.00 1.55 0.00 0.00 64.86 66.19 1xfr h ILE 29 Cb 0.20 1.14 -0.01 0.00 -0.27 0.00 0.00 36.82 37.88 1xfr h ILE 29 CO 0.01 0.06 0.01 -1.13 -1.05 0.00 0.00 178.15 176.04 1xfr h ASN 30 N 0.00 0.15 -0.03 2.16 -0.73 -1.27 -0.62 115.58 115.24 1xfr h ASN 30 Ca -0.00 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.06 1xfr h ASN 30 Cb 0.14 -0.04 0.01 0.00 0.27 0.00 0.00 38.32 38.70 1xfr h ASN 30 CO 0.01 0.18 -0.37 -0.08 -0.37 0.00 0.00 177.43 176.80 1xfr h GLU 31 N 0.17 0.30 0.00 6.67 4.81 -1.42 0.18 114.58 125.29 1xfr h GLU 31 Ca 0.04 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1xfr h GLU 31 Cb 0.11 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1xfr h GLU 31 CO 0.00 0.97 0.00 -0.44 -0.73 0.00 0.00 179.01 178.81 1xfr h ASP 32 N -0.27 0.00 0.01 1.04 3.32 -1.24 0.19 116.42 119.48 1xfr h ASP 32 Ca -0.04 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.64 1xfr h ASP 32 Cb 1.08 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 1xfr h ASP 32 CO 0.07 0.00 -2.07 0.49 -1.72 0.00 0.00 179.24 176.01 1xfr n PHE 33 N -2.63 0.45 -0.03 4.55 3.72 -0.30 -3.42 117.46 119.79 1xfr n PHE 33 Ca -0.02 0.17 0.02 0.00 -0.05 0.00 0.00 57.45 57.57 1xfr n PHE 33 Cb 0.07 -1.05 0.35 0.00 -0.94 0.00 0.00 39.48 37.91 1xfr n PHE 33 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1xfr h TYR 34 N -0.78 0.59 -0.52 1.38 3.20 -0.24 -2.50 116.97 118.09 1xfr h TYR 34 Ca -0.55 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.31 1xfr h TYR 34 Cb 1.59 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.67 1xfr h TYR 34 CO 0.00 0.45 0.00 0.09 -1.64 0.00 0.00 178.16 177.06 1xfr n ASN 35 N -4.39 4.09 -0.17 -2.11 3.02 0.62 -4.60 115.26 111.72 1xfr n ASN 35 Ca 0.03 -2.38 -0.03 0.00 -0.03 0.00 0.00 54.58 52.17 1xfr n ASN 35 Cb 0.13 -0.48 0.07 0.00 -0.61 0.00 0.00 39.78 38.89 1xfr n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xfr h PHE 36 N 3.23 0.33 -0.58 3.10 3.04 -1.46 -2.16 116.94 122.44 1xfr h PHE 36 Ca 0.00 0.03 -0.34 0.00 3.98 0.00 0.00 57.97 61.64 1xfr h PHE 36 Cb 1.22 -0.07 -0.13 0.00 2.56 0.00 0.00 35.95 39.53 1xfr h PHE 36 CO 0.56 0.10 0.29 0.91 -2.02 0.00 0.00 178.31 178.16 1xfr n TRP 37 N -5.00 1.27 -1.70 0.41 7.02 -1.26 -4.79 117.44 113.40 1xfr n TRP 37 Ca 0.06 -1.83 -0.30 0.00 -1.02 0.00 0.00 57.50 54.41 1xfr n TRP 37 Cb 0.21 -1.12 0.17 0.00 -2.42 0.00 0.00 31.31 28.15 1xfr n TRP 37 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1xfr s LYS 38 N -1.35 0.62 -0.33 -0.99 3.01 -0.81 -5.02 119.74 114.86 1xfr s LYS 38 Ca 0.41 -0.13 0.09 0.00 -1.01 0.00 0.00 55.97 55.33 1xfr s LYS 38 Cb 0.28 -1.82 0.73 0.00 -1.01 0.00 0.00 37.83 36.01 1xfr s LYS 38 CO -0.07 -2.47 1.81 -0.85 0.51 0.00 0.00 175.35 174.27 1xfr n GLU 39 N -3.87 3.57 0.00 1.68 0.28 -1.26 -4.38 120.64 116.66 1xfr n GLU 39 Ca 0.12 -3.02 0.00 0.00 -0.16 0.00 0.00 57.16 54.10 1xfr n GLU 39 Cb 0.60 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 31.26 1xfr n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xfr n GLY 40 N -0.22 0.00 3.68 -1.84 0.00 -1.26 -5.15 105.19 100.40 1xfr n GLY 40 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 1xfr n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xfr s TYR 41 N 0.00 3.08 -0.10 1.61 6.14 -1.26 -5.02 117.35 121.80 1xfr s TYR 41 Ca 0.00 1.14 -0.14 0.00 0.64 0.00 0.00 57.07 58.71 1xfr s TYR 41 Cb 0.00 -3.45 -0.05 0.00 0.42 0.00 0.00 41.96 38.88 1xfr s TYR 41 CO 0.00 -1.47 0.32 -2.00 0.64 0.00 0.00 175.55 173.04 1xfr s GLU 42 N 2.59 4.04 -0.33 4.97 2.12 -1.26 -4.99 118.70 125.84 1xfr s GLU 42 Ca 0.56 0.20 -0.03 0.00 0.36 0.00 0.00 54.97 56.05 1xfr s GLU 42 Cb -0.24 -3.33 0.06 0.00 0.26 0.00 0.00 34.13 30.88 1xfr s GLU 42 CO 0.20 0.45 0.06 0.42 -0.54 0.00 0.00 175.26 175.85 1xfr s ILE 43 N -0.23 3.25 0.00 -3.70 1.01 -1.26 -4.90 121.20 115.37 1xfr s ILE 43 Ca 0.19 -1.41 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1xfr s ILE 43 Cb -0.14 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1xfr s ILE 43 CO 0.07 -0.21 0.32 0.29 0.00 0.00 0.00 174.94 175.41 1xfr n LYS 44 N 4.67 -0.19 -1.78 2.79 5.02 -1.26 -5.02 118.16 122.39 1xfr n LYS 44 Ca -0.11 -0.35 -0.41 0.00 -2.02 0.00 0.00 58.31 55.41 1xfr n LYS 44 Cb 0.43 -0.74 -0.03 0.00 -0.02 0.00 0.00 35.03 34.67 1xfr n LYS 44 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1xfr s ASN 45 N -0.07 5.35 0.57 4.39 3.84 -1.26 -4.84 114.94 122.92 1xfr s ASN 45 Ca 0.00 1.33 0.27 0.00 0.21 0.00 0.00 52.86 54.67 1xfr s ASN 45 Cb 0.00 -2.52 1.53 0.00 -0.55 0.00 0.00 41.25 39.72 1xfr s ASN 45 CO 0.00 -2.13 2.03 -0.09 -2.79 0.00 0.00 177.10 174.12 1xfr h ARG 46 N 15.30 0.00 0.00 0.43 2.43 -1.95 -1.13 114.38 129.47 1xfr h ARG 46 Ca -0.33 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 1xfr h ARG 46 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1xfr h ARG 46 CO 1.06 0.00 -0.32 0.93 -1.51 0.00 0.00 179.97 180.13 1xfr h GLU 47 N 0.00 0.00 -0.28 0.20 5.08 -1.93 -2.70 114.58 114.95 1xfr h GLU 47 Ca 0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1xfr h GLU 47 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1xfr h GLU 47 CO -0.00 0.32 -0.11 1.79 -1.00 0.00 0.00 179.01 180.01 1xfr h THR 48 N 0.00 1.29 -0.92 1.13 1.35 -1.58 -1.50 112.91 112.68 1xfr h THR 48 Ca -0.00 -1.17 0.15 0.00 -0.55 0.00 0.00 66.41 64.83 1xfr h THR 48 Cb 0.75 1.47 -0.08 0.00 -1.73 0.00 0.00 68.15 68.56 1xfr h THR 48 CO 0.04 0.37 0.59 1.23 -0.25 0.00 0.00 175.52 177.50 1xfr h GLY 49 N 0.31 1.30 1.28 5.82 0.00 -1.56 0.27 103.07 110.49 1xfr h GLY 49 Ca 0.07 -0.31 -0.27 0.00 0.00 0.00 0.00 47.33 46.82 1xfr h GLY 49 CO 0.04 0.08 -1.06 0.00 0.00 0.00 0.00 176.54 175.59 1xfr h ALA 51 N 0.44 0.26 -0.13 0.00 0.00 -0.15 -0.90 119.26 118.78 1xfr h ALA 51 Ca -0.13 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xfr h ALA 51 Cb 1.71 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1xfr h ALA 51 CO 0.20 -0.42 -0.07 0.82 0.00 0.00 0.00 179.25 179.79 1xfr h ILE 52 N 0.07 0.79 -0.24 0.00 2.04 -0.46 0.21 117.51 119.93 1xfr h ILE 52 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1xfr h ILE 52 Cb 0.20 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1xfr h ILE 52 CO -0.25 0.00 -0.14 -0.03 0.00 0.00 0.00 178.15 177.73 1xfr h MET 53 N -0.06 -0.11 -0.14 2.37 4.05 -1.09 0.12 114.93 120.08 1xfr h MET 53 Ca 0.07 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1xfr h MET 53 Cb 0.17 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1xfr h MET 53 CO -0.17 -0.07 0.00 0.00 0.23 0.00 0.00 176.91 176.90 1xfr h LEU 55 N 0.05 0.43 -0.67 0.00 3.38 -0.12 0.34 115.31 118.72 1xfr h LEU 55 Ca 0.06 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1xfr h LEU 55 Cb 0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1xfr h LEU 55 CO -0.11 0.31 0.36 0.28 0.09 0.00 0.00 178.44 179.37 1xfr h SER 56 N 0.53 0.51 0.17 -0.43 0.02 -0.48 0.41 113.55 114.28 1xfr h SER 56 Ca 0.17 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1xfr h SER 56 Cb 0.00 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1xfr h SER 56 CO -0.07 0.32 -0.43 0.74 -1.14 0.00 0.00 176.83 176.24 1xfr h THR 57 N 0.65 0.14 0.00 -2.27 2.02 -0.19 -1.16 112.91 112.10 1xfr h THR 57 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1xfr h THR 57 Cb 0.24 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1xfr h THR 57 CO -0.21 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.97 1xfr n LYS 58 N -5.48 0.13 -0.18 6.66 5.02 0.01 -0.52 118.16 123.80 1xfr n LYS 58 Ca -0.08 0.43 0.10 0.00 -2.02 0.00 0.00 58.31 56.74 1xfr n LYS 58 Cb 0.39 -1.78 0.27 0.00 -0.02 0.00 0.00 35.03 33.89 1xfr n LYS 58 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xfr n LEU 59 N -2.03 2.62 -2.98 -0.35 4.77 0.04 -4.94 117.00 114.13 1xfr n LEU 59 Ca 0.02 -1.19 -0.21 0.00 -0.03 0.00 0.00 56.01 54.60 1xfr n LEU 59 Cb 0.16 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1xfr n LEU 59 CO 0.15 0.60 0.11 -3.20 -1.33 0.00 0.00 177.39 173.72 1xfr n ASN 60 N 0.93 -5.79 -0.22 -1.43 4.05 0.32 -4.93 115.26 108.20 1xfr n ASN 60 Ca 0.17 -0.37 0.11 0.00 0.45 0.00 0.00 54.58 54.95 1xfr n ASN 60 Cb 0.45 -4.51 -0.01 0.00 1.23 0.00 0.00 39.78 36.93 1xfr n ASN 60 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1xfr n MET 61 N -4.09 0.54 -3.66 1.20 2.81 -0.47 -4.68 117.12 108.77 1xfr n MET 61 Ca -0.05 -0.44 -0.38 0.00 -1.81 0.00 0.00 57.70 55.02 1xfr n MET 61 Cb 0.58 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.48 1xfr n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1xfr s LEU 62 N -2.76 4.04 0.00 4.03 1.02 -1.25 -0.50 118.68 123.27 1xfr s LEU 62 Ca 0.13 -0.48 -0.22 0.00 0.02 0.00 0.00 54.13 53.59 1xfr s LEU 62 Cb 0.17 -2.00 0.34 0.00 0.02 0.00 0.00 46.19 44.72 1xfr s LEU 62 CO 0.72 -0.17 0.93 -0.90 0.02 0.00 0.00 176.35 176.94 1xfr n ASP 63 N 4.98 -3.22 0.00 2.29 5.75 -1.26 -4.79 116.55 120.30 1xfr n ASP 63 Ca -0.14 -0.98 0.07 0.00 -0.01 0.00 0.00 54.79 53.74 1xfr n ASP 63 Cb 0.49 -0.96 0.40 0.00 -1.03 0.00 0.00 41.12 40.02 1xfr n ASP 63 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1xfr n PRO 64 N -5.26 0.31 -0.02 0.11 -0.04 -1.26 -1.58 135.00 127.26 1xfr n PRO 64 Ca 0.14 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.74 1xfr n PRO 64 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1xfr n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xfr n GLU 65 N -1.18 0.66 -0.47 0.54 -0.58 -1.26 -5.00 120.64 113.35 1xfr n GLU 65 Ca 0.09 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xfr n GLU 65 Cb 0.09 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 1xfr n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfr n GLY 66 N 1.39 0.75 2.83 0.62 0.00 -0.61 -5.00 105.19 105.16 1xfr n GLY 66 Ca -0.11 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1xfr n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xfr n ASN 67 N 0.31 4.31 -1.09 1.61 3.02 -1.26 -4.82 115.26 117.34 1xfr n ASN 67 Ca 0.00 -3.65 0.05 0.00 -0.03 0.00 0.00 54.58 50.96 1xfr n ASN 67 Cb 0.00 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.59 1xfr n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xfr n LEU 68 N -0.25 -0.63 -3.75 3.41 0.00 -1.26 -4.84 117.00 109.67 1xfr n LEU 68 Ca 0.32 1.28 -0.30 0.00 0.00 0.00 0.00 56.01 57.31 1xfr n LEU 68 Cb 0.45 -2.31 -0.13 0.00 0.00 0.00 0.00 43.42 41.43 1xfr n LEU 68 CO 0.33 -0.82 -0.23 -2.28 0.00 0.00 0.00 177.39 174.39 1xfr s HIS 69 N -4.70 2.19 0.48 1.96 5.65 0.35 -4.11 115.29 117.12 1xfr s HIS 69 Ca 0.00 -2.56 0.14 0.00 0.25 0.00 0.00 55.06 52.89 1xfr s HIS 69 Cb 0.00 -2.04 1.14 0.00 -1.18 0.00 0.00 32.58 30.49 1xfr s HIS 69 CO 0.00 -0.77 2.09 0.45 -0.65 0.00 0.00 174.74 175.86 1xfr h HIS 70 N 6.65 0.07 0.02 3.88 -0.00 -1.93 0.26 115.15 124.11 1xfr h HIS 70 Ca -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1xfr h HIS 70 Cb 0.92 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.28 1xfr h HIS 70 CO 0.49 0.10 -0.22 0.78 -0.00 0.00 0.00 177.93 179.08 1xfr h GLY 71 N 0.23 -1.24 2.00 2.45 0.00 -1.97 -0.32 103.07 104.22 1xfr h GLY 71 Ca 0.02 0.60 -0.03 0.00 0.00 0.00 0.00 47.33 47.91 1xfr h GLY 71 CO 0.00 -0.40 -0.17 -0.57 0.00 0.00 0.00 176.54 175.41 1xfr h ASN 72 N -0.29 0.00 -0.35 0.19 -1.24 -1.62 -1.17 115.58 111.09 1xfr h ASN 72 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1xfr h ASN 72 Cb 0.31 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1xfr h ASN 72 CO -0.13 0.17 -0.08 0.00 -1.29 0.00 0.00 177.43 176.09 1xfr h ALA 73 N 1.83 0.49 -0.48 1.57 0.00 -0.98 -0.80 119.26 120.89 1xfr h ALA 73 Ca -0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1xfr h ALA 73 Cb 0.70 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xfr h ALA 73 CO 0.02 0.33 -0.05 1.98 0.00 0.00 0.00 179.25 181.53 1xfr h MET 74 N 0.48 0.84 0.43 0.00 1.85 -0.40 -2.29 114.93 115.84 1xfr h MET 74 Ca 0.09 -0.26 -0.01 0.00 -0.61 0.00 0.00 59.70 58.90 1xfr h MET 74 Cb 0.59 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 1xfr h MET 74 CO 0.03 0.88 -0.27 1.49 -0.40 0.00 0.00 176.91 178.64 1xfr h GLU 75 N 0.77 -0.65 -0.78 0.39 4.22 -1.20 -1.10 114.58 116.23 1xfr h GLU 75 Ca 0.14 0.04 0.18 0.00 0.08 0.00 0.00 59.36 59.80 1xfr h GLU 75 Cb 0.54 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 1xfr h GLU 75 CO 0.03 -0.44 -0.04 0.35 -2.18 0.00 0.00 179.01 176.73 1xfr h PHE 76 N -0.68 -0.14 0.17 0.92 3.57 -0.93 0.24 116.94 120.09 1xfr h PHE 76 Ca -0.05 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1xfr h PHE 76 Cb 0.56 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1xfr h PHE 76 CO -0.10 -0.28 -0.10 0.00 -2.23 0.00 0.00 178.31 175.60 1xfr h ALA 77 N 1.75 -1.00 -0.89 2.41 0.00 -1.22 -3.10 119.26 117.21 1xfr h ALA 77 Ca 0.42 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1xfr h ALA 77 Cb 0.73 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1xfr h ALA 77 CO -0.72 -0.99 0.58 0.87 0.00 0.00 0.00 179.25 178.99 1xfr h LYS 78 N -0.25 0.95 -0.66 0.00 6.56 -0.23 -1.43 116.57 121.51 1xfr h LYS 78 Ca -0.02 -0.06 0.14 0.00 -1.06 0.00 0.00 60.65 59.65 1xfr h LYS 78 Cb 0.20 -0.21 -0.12 0.00 -0.57 0.00 0.00 32.23 31.52 1xfr h LYS 78 CO 0.03 0.63 -0.09 -0.22 -2.06 0.00 0.00 179.45 177.74 1xfr h LYS 79 N 0.98 0.05 0.00 3.15 3.64 -0.64 0.02 116.57 123.77 1xfr h LYS 79 Ca 0.39 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1xfr h LYS 79 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1xfr h LYS 79 CO -0.15 0.03 0.00 0.72 -2.27 0.00 0.00 179.45 177.78 1xfr n HIS 80 N -5.38 0.00 0.00 1.91 8.25 -0.61 -4.85 115.22 114.54 1xfr n HIS 80 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1xfr n HIS 80 Cb 0.37 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.36 1xfr n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xfr n GLY 81 N 0.96 1.06 3.76 -1.41 0.00 -0.01 -4.75 105.19 104.80 1xfr n GLY 81 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1xfr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr s ALA 82 N -2.00 2.91 0.88 4.61 0.00 -0.78 -4.85 121.76 122.52 1xfr s ALA 82 Ca 0.00 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 1xfr s ALA 82 Cb 0.00 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.75 1xfr s ALA 82 CO 0.00 -1.07 1.13 -0.51 0.00 0.00 0.00 175.76 175.31 1xfr s ASP 83 N -1.09 3.37 0.05 0.00 1.11 -1.26 -4.46 116.67 114.38 1xfr s ASP 83 Ca 0.68 2.05 -0.35 0.00 0.18 0.00 0.00 52.55 55.10 1xfr s ASP 83 Cb -0.36 -2.54 -0.19 0.00 1.07 0.00 0.00 42.92 40.90 1xfr s ASP 83 CO 0.43 -2.79 1.45 -0.08 1.18 0.00 0.00 175.17 175.35 1xfr h GLU 84 N -1.66 -1.22 -0.08 8.23 4.22 -1.99 0.03 114.58 122.12 1xfr h GLU 84 Ca -0.44 0.08 -0.10 0.00 0.08 0.00 0.00 59.36 58.99 1xfr h GLU 84 Cb 1.26 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1xfr h GLU 84 CO 0.45 -0.81 -0.41 1.15 -2.18 0.00 0.00 179.01 177.21 1xfr h THR 85 N -1.34 1.31 0.17 0.32 2.02 -1.98 -0.70 112.91 112.71 1xfr h THR 85 Ca -0.13 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.58 1xfr h THR 85 Cb 0.97 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.04 1xfr h THR 85 CO 0.21 0.44 -0.29 -0.03 0.37 0.00 0.00 175.52 176.22 1xfr h MET 86 N 0.15 -0.52 -0.01 6.66 1.85 -1.93 0.14 114.93 121.27 1xfr h MET 86 Ca 0.01 0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 59.08 1xfr h MET 86 Cb 0.79 0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.92 1xfr h MET 86 CO 0.06 -0.35 -0.30 0.00 -0.40 0.00 0.00 176.91 175.92 1xfr h ALA 87 N 0.11 1.49 -0.45 0.39 0.00 -0.35 0.17 119.26 120.63 1xfr h ALA 87 Ca 0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1xfr h ALA 87 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xfr h ALA 87 CO -0.13 0.38 -0.06 0.37 0.00 0.00 0.00 179.25 179.81 1xfr h GLN 88 N 0.01 0.84 -0.27 0.00 5.75 -0.81 -2.93 115.11 117.69 1xfr h GLN 88 Ca -0.00 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.24 1xfr h GLN 88 Cb 0.53 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1xfr h GLN 88 CO 0.04 0.92 0.07 1.96 -2.65 0.00 0.00 178.83 179.17 1xfr h GLN 89 N 0.68 0.18 -0.02 1.69 1.08 0.14 0.22 115.11 119.08 1xfr h GLN 89 Ca 0.12 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1xfr h GLN 89 Cb 0.58 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1xfr h GLN 89 CO 0.03 0.12 0.22 -0.07 -0.95 0.00 0.00 178.83 178.18 1xfr h LEU 90 N 0.18 0.00 0.00 1.46 4.07 -0.93 -1.19 115.31 118.90 1xfr h LEU 90 Ca 0.12 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.78 1xfr h LEU 90 Cb 0.11 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.80 1xfr h LEU 90 CO -0.15 0.00 -2.16 -0.38 -1.08 0.00 0.00 178.44 174.67 1xfr n ILE 91 N -3.01 1.16 -0.03 1.22 -0.00 -0.80 -3.93 119.36 113.96 1xfr n ILE 91 Ca -0.02 -0.65 -0.10 0.00 -0.00 0.00 0.00 62.75 61.97 1xfr n ILE 91 Cb 0.28 -0.72 -0.04 0.00 -0.00 0.00 0.00 39.64 39.16 1xfr n ILE 91 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1xfr h ASP 92 N 0.00 0.20 -0.01 4.38 3.58 0.30 0.20 116.42 125.07 1xfr h ASP 92 Ca -0.46 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 56.96 1xfr h ASP 92 Cb 1.96 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.96 1xfr h ASP 92 CO 0.00 0.18 -0.00 0.40 -2.88 0.00 0.00 179.24 176.93 1xfr h ILE 93 N 0.21 1.30 -0.05 2.25 2.04 -1.50 -0.25 117.51 121.51 1xfr h ILE 93 Ca 0.06 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1xfr h ILE 93 Cb 0.01 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1xfr h ILE 93 CO -0.01 0.23 -0.01 0.58 0.00 0.00 0.00 178.15 178.94 1xfr h VAL 94 N -0.35 1.30 -0.84 1.67 2.07 -1.65 -1.63 116.25 116.81 1xfr h VAL 94 Ca 0.00 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1xfr h VAL 94 Cb 0.38 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1xfr h VAL 94 CO 0.00 0.25 0.53 -0.74 0.02 0.00 0.00 177.57 177.63 1xfr h HIS 95 N -0.26 0.99 0.00 1.57 -0.00 -0.66 -1.39 115.15 115.40 1xfr h HIS 95 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1xfr h HIS 95 Cb 0.41 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 1xfr h HIS 95 CO 0.05 0.55 0.00 0.41 -0.00 0.00 0.00 177.93 178.94 1xfr n GLY 96 N -1.33 0.95 0.00 5.26 0.00 -0.11 -2.96 105.19 107.01 1xfr n GLY 96 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1xfr n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr h GLU 98 N 0.00 0.00 0.00 0.00 5.08 -1.18 0.60 114.58 119.08 1xfr h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xfr h GLU 98 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xfr h GLU 98 CO 0.00 0.00 -0.85 1.63 -1.00 0.00 0.00 179.01 178.79 1xfr n LYS 99 N -2.56 0.00 -0.35 2.33 4.01 -1.26 -4.80 118.16 115.53 1xfr n LYS 99 Ca -0.02 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.82 1xfr n LYS 99 Cb 0.20 -0.75 0.19 0.00 -0.51 0.00 0.00 35.03 34.16 1xfr n LYS 99 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1xfr h SER 100 N 0.00 0.91 -2.71 4.39 0.02 -1.75 -3.39 113.55 111.02 1xfr h SER 100 Ca 0.00 0.03 -0.56 0.00 -0.84 0.00 0.00 61.79 60.42 1xfr h SER 100 Cb 0.85 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1xfr h SER 100 CO 0.00 0.53 1.08 -0.89 -1.14 0.00 0.00 176.83 176.41 1xfr s THR 101 N -6.01 3.73 0.26 -2.27 2.01 0.19 -4.99 115.64 108.56 1xfr s THR 101 Ca -0.12 0.86 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1xfr s THR 101 Cb 0.21 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 1xfr s THR 101 CO 0.80 -0.16 1.00 -2.16 -0.69 0.00 0.00 174.62 173.41 1xfr s PRO 102 N 4.21 4.75 0.14 4.92 0.04 -1.26 -4.90 135.00 142.91 1xfr s PRO 102 Ca 0.70 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 1xfr s PRO 102 Cb -0.28 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.08 1xfr s PRO 102 CO 0.27 0.39 0.41 0.00 0.04 0.00 0.00 177.00 178.11 1xfr s ALA 103 N -1.21 -0.83 1.00 8.56 0.00 -1.26 -4.96 121.76 123.06 1xfr s ALA 103 Ca 0.43 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 1xfr s ALA 103 Cb -0.28 0.74 0.17 0.00 0.00 0.00 0.00 23.12 23.76 1xfr s ALA 103 CO 0.35 -0.68 0.96 0.27 0.00 0.00 0.00 175.76 176.66 1xfr n ASN 104 N -0.25 -0.67 0.00 0.00 2.04 -1.26 -4.90 115.26 110.23 1xfr n ASN 104 Ca -0.14 0.22 0.02 0.00 -0.44 0.00 0.00 54.58 54.24 1xfr n ASN 104 Cb 0.63 -1.36 0.09 0.00 -2.53 0.00 0.00 39.78 36.61 1xfr n ASN 104 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1xfr n ASP 105 N -3.95 0.00 -4.55 0.53 -0.08 -1.26 -4.48 116.55 102.76 1xfr n ASP 105 Ca 0.08 0.20 -0.34 0.00 -1.51 0.00 0.00 54.79 53.22 1xfr n ASP 105 Cb 0.53 -0.26 -0.04 0.00 2.34 0.00 0.00 41.12 43.70 1xfr n ASP 105 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xfr s ASP 106 N -2.51 5.11 0.43 1.67 -1.08 -1.26 -4.87 116.67 114.16 1xfr s ASP 106 Ca 0.03 0.14 0.21 0.00 -0.52 0.00 0.00 52.55 52.41 1xfr s ASP 106 Cb 0.02 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 40.12 1xfr s ASP 106 CO 0.05 -2.58 1.81 0.11 0.52 0.00 0.00 175.17 175.09 1xfr h LYS 107 N 14.40 0.32 -0.31 4.34 6.56 -1.99 0.44 116.57 140.33 1xfr h LYS 107 Ca -0.16 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.38 1xfr h LYS 107 Cb 1.13 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.70 1xfr h LYS 107 CO 1.20 0.21 0.06 0.00 -2.06 0.00 0.00 179.45 178.87 1xfr h ILE 109 N 0.34 1.21 0.03 0.00 2.04 -1.19 0.16 117.51 120.10 1xfr h ILE 109 Ca 0.10 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1xfr h ILE 109 Cb 0.33 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1xfr h ILE 109 CO 0.00 0.24 -0.22 -0.25 0.00 0.00 0.00 178.15 177.93 1xfr h TRP 110 N 0.58 -0.65 -0.37 1.37 7.01 -1.24 -1.02 115.95 121.63 1xfr h TRP 110 Ca 0.15 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1xfr h TRP 110 Cb 0.22 0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1xfr h TRP 110 CO 0.01 -0.25 0.10 1.15 -2.79 0.00 0.00 178.44 176.66 1xfr h THR 111 N -0.30 1.16 -0.50 2.65 2.02 -1.00 0.19 112.91 117.13 1xfr h THR 111 Ca -0.00 -0.56 0.08 0.00 0.77 0.00 0.00 66.41 66.70 1xfr h THR 111 Cb 0.31 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.43 1xfr h THR 111 CO -0.13 0.21 0.11 0.25 0.37 0.00 0.00 175.52 176.33 1xfr h LEU 112 N 0.52 0.03 -0.42 2.58 5.85 -0.59 -0.35 115.31 122.93 1xfr h LEU 112 Ca 0.12 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1xfr h LEU 112 Cb 0.18 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1xfr h LEU 112 CO -0.01 0.04 0.23 1.23 -0.34 0.00 0.00 178.44 179.60 1xfr h GLY 113 N 0.25 0.62 0.89 3.75 0.00 0.37 0.15 103.07 109.10 1xfr h GLY 113 Ca 0.25 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1xfr h GLY 113 CO -0.32 0.27 0.63 -2.08 0.00 0.00 0.00 176.54 175.05 1xfr h VAL 114 N 0.54 1.14 -0.36 4.60 2.07 -0.63 -0.53 116.25 123.08 1xfr h VAL 114 Ca 0.15 -0.41 -0.15 0.00 0.82 0.00 0.00 66.70 67.11 1xfr h VAL 114 Cb 0.05 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 1xfr h VAL 114 CO -0.02 0.22 -0.39 0.00 0.02 0.00 0.00 177.57 177.40 1xfr h ALA 115 N 1.45 0.64 -0.52 1.67 0.00 -0.71 -3.16 119.26 118.63 1xfr h ALA 115 Ca 0.39 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xfr h ALA 115 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xfr h ALA 115 CO -0.13 0.67 -0.02 1.15 0.00 0.00 0.00 179.25 180.92 1xfr h THR 116 N 0.70 1.26 -0.11 0.00 2.02 0.37 0.11 112.91 117.27 1xfr h THR 116 Ca 0.06 -1.12 0.02 0.00 0.77 0.00 0.00 66.41 66.13 1xfr h THR 116 Cb 0.96 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1xfr h THR 116 CO 0.09 0.40 -0.00 0.00 0.37 0.00 0.00 175.52 176.38 1xfr h PHE 118 N 0.03 1.08 -0.08 0.00 3.57 -1.45 -2.73 116.94 117.37 1xfr h PHE 118 Ca 0.05 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.40 1xfr h PHE 118 Cb 0.06 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 1xfr h PHE 118 CO -0.13 0.96 -0.52 -0.22 -2.23 0.00 0.00 178.31 176.17 1xfr h LYS 119 N 0.92 -0.57 -0.71 1.11 3.11 -0.67 -0.48 116.57 119.30 1xfr h LYS 119 Ca 0.17 0.04 0.09 0.00 -2.81 0.00 0.00 60.65 58.13 1xfr h LYS 119 Cb 0.52 0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 31.81 1xfr h LYS 119 CO 0.03 -0.38 0.36 0.00 -2.81 0.00 0.00 179.45 176.65 1xfr h ALA 120 N -0.41 0.97 -0.87 5.00 0.00 -1.48 -0.54 119.26 121.92 1xfr h ALA 120 Ca 0.02 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1xfr h ALA 120 Cb 0.66 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1xfr h ALA 120 CO -0.39 -0.02 0.52 0.93 0.00 0.00 0.00 179.25 180.30 1xfr h GLU 121 N 0.63 0.86 -0.29 0.00 4.39 -1.03 -0.12 114.58 119.03 1xfr h GLU 121 Ca 0.34 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1xfr h GLU 121 Cb 0.33 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1xfr h GLU 121 CO -0.25 0.57 0.18 0.82 -1.16 0.00 0.00 179.01 179.17 1xfr h ILE 122 N 0.89 1.09 0.00 3.13 1.08 0.48 0.29 117.51 124.48 1xfr h ILE 122 Ca 0.41 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.69 1xfr h ILE 122 Cb 0.33 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1xfr h ILE 122 CO -0.23 0.09 0.00 1.41 -0.69 0.00 0.00 178.15 178.73 1xfr n HIS 123 N -4.87 0.72 -0.01 1.37 8.25 -0.75 -0.45 115.22 119.48 1xfr n HIS 123 Ca -0.02 0.32 -0.22 0.00 -0.26 0.00 0.00 57.72 57.55 1xfr n HIS 123 Cb 0.04 -1.02 -0.14 0.00 1.12 0.00 0.00 29.99 30.00 1xfr n HIS 123 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1xfr h LYS 124 N 0.00 0.23 0.00 -0.41 2.10 0.44 -3.37 116.57 115.56 1xfr h LYS 124 Ca 0.00 -0.39 -0.08 0.00 -2.00 0.00 0.00 60.65 58.18 1xfr h LYS 124 Cb 0.19 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1xfr h LYS 124 CO 0.00 1.19 -0.39 -0.07 -2.00 0.00 0.00 179.45 178.18 1xfr h LEU 125 N -0.11 0.00 0.00 7.07 3.38 0.00 -3.47 115.31 122.18 1xfr h LEU 125 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1xfr h LEU 125 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1xfr h LEU 125 CO 0.04 0.39 0.00 -3.20 0.09 0.00 0.00 178.44 175.76 1xfr n ASN 126 N -3.93 -0.34 -1.64 -0.43 5.15 0.41 -5.03 115.26 109.45 1xfr n ASN 126 Ca -0.02 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.86 1xfr n ASN 126 Cb 0.44 -0.11 0.13 0.00 -0.53 0.00 0.00 39.78 39.71 1xfr n ASN 126 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1xfr n TRP 127 N -1.82 1.70 -1.04 1.20 8.01 -0.59 -4.96 117.44 119.93 1xfr n TRP 127 Ca 0.00 -1.12 0.00 0.00 -1.31 0.00 0.00 57.50 55.07 1xfr n TRP 127 Cb 0.09 -0.60 0.00 0.00 -2.01 0.00 0.00 31.31 28.79 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68