#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 0.73 -0.86 -1.46 -0.00 -1.87 -2.67 115.11 108.99 1xfr h GLN 2 Ca 0.00 -0.04 0.12 0.00 -0.00 0.00 0.00 58.65 58.73 1xfr h GLN 2 Cb 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 27.48 27.18 1xfr h GLN 2 CO 0.00 0.49 -0.43 1.49 0.00 0.00 0.00 178.83 180.38 1xfr h GLU 3 N 0.76 -0.06 0.09 1.69 4.81 -1.99 0.10 114.58 119.98 1xfr h GLU 3 Ca 0.50 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.43 1xfr h GLU 3 Cb 0.76 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1xfr h GLU 3 CO -0.26 -0.04 -1.58 -0.24 -0.73 0.00 0.00 179.01 176.16 1xfr h VAL 4 N -0.07 1.07 -0.71 0.32 3.04 -1.91 -3.31 116.25 114.69 1xfr h VAL 4 Ca 0.27 -2.77 0.09 0.00 -1.01 0.00 0.00 66.70 63.28 1xfr h VAL 4 Cb 0.55 2.68 -0.07 0.00 -2.01 0.00 0.00 31.29 32.44 1xfr h VAL 4 CO -0.88 0.78 0.36 -0.03 -1.01 0.00 0.00 177.57 176.79 1xfr h MET 5 N 0.05 0.61 0.17 4.17 4.05 -1.05 0.19 114.93 123.12 1xfr h MET 5 Ca -0.26 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.13 1xfr h MET 5 Cb 2.00 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 32.65 1xfr h MET 5 CO 0.14 0.40 -0.20 -0.22 0.23 0.00 0.00 176.91 177.26 1xfr h LYS 6 N 0.62 -0.40 -0.68 0.39 3.64 -0.95 -1.49 116.57 117.71 1xfr h LYS 6 Ca 0.34 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1xfr h LYS 6 Cb 0.33 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1xfr h LYS 6 CO -0.25 -0.26 0.31 -0.97 -2.27 0.00 0.00 179.45 176.00 1xfr h ASN 7 N -0.41 0.88 0.30 4.20 -1.24 -1.51 -1.09 115.58 116.70 1xfr h ASN 7 Ca 0.01 -0.10 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 1xfr h ASN 7 Cb 0.40 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 1xfr h ASN 7 CO -0.06 0.76 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.53 1xfr h LEU 8 N 0.96 -0.61 0.00 0.34 3.38 -0.34 0.14 115.31 119.18 1xfr h LEU 8 Ca 0.23 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1xfr h LEU 8 Cb 0.12 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xfr h LEU 8 CO -0.03 -0.36 0.00 -0.24 0.09 0.00 0.00 178.44 177.91 1xfr n SER 9 N -5.36 0.00 -0.08 -0.43 2.88 -0.59 -1.31 113.62 108.74 1xfr n SER 9 Ca -0.09 0.48 -0.12 0.00 -1.33 0.00 0.00 58.87 57.81 1xfr n SER 9 Cb 0.27 -0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 63.16 1xfr n SER 9 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1xfr h LEU 10 N 0.00 0.00 -1.85 2.46 6.46 -0.31 -3.31 115.31 118.76 1xfr h LEU 10 Ca 0.00 -0.46 -0.03 0.00 -0.12 0.00 0.00 57.88 57.28 1xfr h LEU 10 Cb 0.28 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1xfr h LEU 10 CO 0.00 1.00 -0.13 0.78 -0.62 0.00 0.00 178.44 179.47 1xfr h ASN 11 N -1.00 0.00 -0.60 1.25 2.35 -0.67 -0.66 115.58 116.25 1xfr h ASN 11 Ca -0.11 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1xfr h ASN 11 Cb 0.80 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.09 1xfr h ASN 11 CO -0.06 0.13 0.21 0.15 -1.65 0.00 0.00 177.43 176.21 1xfr h PHE 12 N 0.00 0.37 -0.01 1.19 3.57 -1.34 -2.85 116.94 117.86 1xfr h PHE 12 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1xfr h PHE 12 Cb 0.26 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1xfr h PHE 12 CO 0.00 0.08 0.00 0.41 -2.23 0.00 0.00 178.31 176.57 1xfr n GLY 13 N -1.29 -0.95 0.29 2.40 0.00 -0.26 -4.29 105.19 101.09 1xfr n GLY 13 Ca 0.08 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 0.08 0.00 -0.63 1.61 1.79 -1.52 -2.07 116.57 115.83 1xfr h LYS 14 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xfr h LYS 14 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1xfr h LYS 14 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1xfr n ALA 15 N -2.55 2.92 0.11 3.86 0.00 -1.26 -4.68 120.51 118.91 1xfr n ALA 15 Ca -0.00 -1.57 -0.13 0.00 0.00 0.00 0.00 53.44 51.74 1xfr n ALA 15 Cb 0.20 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 3.88 -0.16 -1.46 0.00 5.85 -1.68 -2.21 115.31 119.53 1xfr h LEU 16 Ca 0.00 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1xfr h LEU 16 Cb 1.35 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1xfr h LEU 16 CO 0.19 -0.09 -0.27 -0.78 -0.34 0.00 0.00 178.44 177.15 1xfr h ASP 17 N -0.21 0.00 0.33 1.25 3.58 -1.83 0.50 116.42 120.03 1xfr h ASP 17 Ca -0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1xfr h ASP 17 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1xfr h ASP 17 CO 0.03 0.27 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.18 1xfr h GLU 18 N 0.00 -0.42 -0.07 0.28 4.39 -1.83 -0.80 114.58 116.12 1xfr h GLU 18 Ca -0.00 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 1xfr h GLU 18 Cb 0.53 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1xfr h GLU 18 CO 0.04 -0.12 -0.39 0.00 -1.16 0.00 0.00 179.01 177.37 1xfr h LYS 20 N 0.12 0.11 0.00 0.00 1.57 -0.79 0.92 116.57 118.50 1xfr h LYS 20 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1xfr h LYS 20 Cb 0.75 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1xfr h LYS 20 CO 0.06 0.07 -0.03 0.87 -0.57 0.00 0.00 179.45 179.85 1xfr h LYS 21 N 0.11 0.00 0.00 3.15 1.57 -0.63 -0.40 116.57 120.37 1xfr h LYS 21 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1xfr h LYS 21 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xfr h LYS 21 CO -0.23 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.07 1xfr n GLU 22 N -3.11 0.00 0.00 3.15 -0.58 -0.16 -4.41 120.64 115.52 1xfr n GLU 22 Ca 0.02 0.43 0.14 0.00 -0.42 0.00 0.00 57.16 57.33 1xfr n GLU 22 Cb 0.44 -1.15 0.64 0.00 -0.57 0.00 0.00 31.44 30.80 1xfr n GLU 22 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1xfr n MET 23 N -1.78 1.34 -2.99 3.49 2.81 0.27 -4.93 117.12 115.32 1xfr n MET 23 Ca 0.00 -0.60 -0.02 0.00 -1.81 0.00 0.00 57.70 55.27 1xfr n MET 23 Cb 0.00 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.03 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 -0.31 -9.52 -4.17 2.03 -1.04 -0.52 -5.04 114.28 95.71 1xfr n THR 24 Ca 0.19 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 1xfr n THR 24 Cb 0.28 -6.68 -0.08 0.00 -1.82 0.00 0.00 70.33 62.03 1xfr n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xfr s LEU 25 N -4.07 3.33 0.57 -4.42 1.43 -0.27 -5.03 118.68 110.21 1xfr s LEU 25 Ca 0.06 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1xfr s LEU 25 Cb -0.01 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1xfr s LEU 25 CO 0.70 0.15 0.79 0.42 0.23 0.00 0.00 176.35 178.64 1xfr s THR 26 N -1.39 2.48 -0.37 5.49 -4.23 -1.26 -4.70 115.64 111.66 1xfr s THR 26 Ca 0.25 -0.81 0.26 0.00 -1.18 0.00 0.00 61.69 60.21 1xfr s THR 26 Cb -0.11 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.34 1xfr s THR 26 CO 0.17 0.00 1.77 -2.24 -0.54 0.00 0.00 174.62 173.78 1xfr h ASP 27 N 0.08 0.00 -0.43 3.99 2.03 -2.00 -3.05 116.42 117.04 1xfr h ASP 27 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1xfr h ASP 27 Cb 1.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.76 1xfr h ASP 27 CO 0.45 0.00 0.27 0.00 -1.03 0.00 0.00 179.24 178.93 1xfr h ALA 28 N 2.22 1.66 0.00 4.15 0.00 -2.00 -1.25 119.26 124.04 1xfr h ALA 28 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1xfr h ALA 28 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xfr h ALA 28 CO 0.00 0.30 -0.37 -0.84 0.00 0.00 0.00 179.25 178.34 1xfr h ILE 29 N 0.59 1.23 -0.34 0.00 3.07 -1.93 -0.91 117.51 119.23 1xfr h ILE 29 Ca 0.16 -1.30 -0.01 0.00 1.55 0.00 0.00 64.86 65.25 1xfr h ILE 29 Cb -0.04 1.71 -0.02 0.00 -0.27 0.00 0.00 36.82 38.20 1xfr h ILE 29 CO -0.03 0.37 0.15 0.78 -1.05 0.00 0.00 178.15 178.36 1xfr h ASN 30 N 0.00 0.42 -0.24 2.16 2.35 -1.40 0.86 115.58 119.73 1xfr h ASN 30 Ca -0.00 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1xfr h ASN 30 Cb 0.68 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1xfr h ASN 30 CO 0.05 0.37 -0.10 1.05 -1.65 0.00 0.00 177.43 177.15 1xfr h GLU 31 N 0.47 0.50 -0.22 0.81 4.11 -1.07 -1.19 114.58 117.99 1xfr h GLU 31 Ca 0.12 -0.21 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1xfr h GLU 31 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xfr h GLU 31 CO -0.01 0.75 0.11 -0.44 0.07 0.00 0.00 179.01 179.49 1xfr h ASP 32 N 0.22 0.29 -0.36 3.06 5.19 -0.47 0.20 116.42 124.55 1xfr h ASP 32 Ca 0.06 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 1xfr h ASP 32 Cb 0.60 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1xfr h ASP 32 CO 0.03 0.32 0.06 -0.26 -3.12 0.00 0.00 179.24 176.27 1xfr h PHE 33 N 0.24 0.64 0.37 4.55 0.04 -0.94 0.20 116.94 122.04 1xfr h PHE 33 Ca 0.08 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1xfr h PHE 33 Cb 0.10 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.08 1xfr h PHE 33 CO -0.03 0.65 -0.18 -0.92 -0.60 0.00 0.00 178.31 177.23 1xfr h TYR 34 N 0.44 -0.46 0.00 -0.55 3.20 -1.01 -3.01 116.97 115.58 1xfr h TYR 34 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1xfr h TYR 34 Cb 0.35 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1xfr h TYR 34 CO 0.02 -0.20 0.00 0.09 -1.64 0.00 0.00 178.16 176.43 1xfr n ASN 35 N -5.24 0.00 -0.31 -2.11 3.02 0.68 -4.24 115.26 107.05 1xfr n ASN 35 Ca -0.10 -0.91 0.10 0.00 -0.03 0.00 0.00 54.58 53.64 1xfr n ASN 35 Cb 0.26 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.00 0.84 -0.08 3.10 3.04 -0.81 0.54 116.94 123.57 1xfr h PHE 36 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1xfr h PHE 36 Cb 0.00 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.28 1xfr h PHE 36 CO 0.00 0.16 0.00 0.91 -2.02 0.00 0.00 178.31 177.36 1xfr n TRP 37 N -4.87 0.11 -0.63 0.41 7.02 -1.26 -4.85 117.44 113.37 1xfr n TRP 37 Ca 0.20 -0.05 -0.29 0.00 -1.02 0.00 0.00 57.50 56.33 1xfr n TRP 37 Cb 0.52 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.63 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 -1.89 -0.29 -0.24 -0.99 1.02 0.18 -4.87 119.74 112.66 1xfr s LYS 38 Ca 0.14 1.03 -0.01 0.00 0.02 0.00 0.00 55.97 57.16 1xfr s LYS 38 Cb 0.07 -1.61 0.15 0.00 -0.52 0.00 0.00 37.83 35.92 1xfr s LYS 38 CO 0.11 -3.36 2.05 -0.85 -0.92 0.00 0.00 175.35 172.38 1xfr n GLU 39 N -4.68 1.62 0.00 1.68 0.00 -1.26 -4.02 120.64 113.98 1xfr n GLU 39 Ca 0.06 -1.19 0.00 0.00 0.00 0.00 0.00 57.16 56.02 1xfr n GLU 39 Cb 0.54 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.50 1xfr n GLU 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xfr n GLY 40 N 0.67 -0.68 3.68 -1.84 0.00 -1.26 -5.14 105.19 100.62 1xfr n GLY 40 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1xfr n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xfr n TYR 41 N 0.00 2.07 -4.39 1.61 4.19 -1.26 -5.02 117.16 114.37 1xfr n TYR 41 Ca 0.00 0.55 -0.34 0.00 3.31 0.00 0.00 57.90 61.42 1xfr n TYR 41 Cb 0.00 -2.38 -0.11 0.00 0.49 0.00 0.00 39.34 37.34 1xfr n TYR 41 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1xfr s GLU 42 N -1.94 3.35 -0.38 2.98 2.12 -1.26 -4.99 118.70 118.58 1xfr s GLU 42 Ca 0.58 -0.47 -0.16 0.00 0.36 0.00 0.00 54.97 55.27 1xfr s GLU 42 Cb -0.56 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 30.97 1xfr s GLU 42 CO 0.61 0.46 0.41 0.42 -0.54 0.00 0.00 175.26 176.61 1xfr s ILE 43 N -0.21 5.12 0.00 -3.70 1.01 -1.26 -4.89 121.20 117.26 1xfr s ILE 43 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1xfr s ILE 43 Cb -0.13 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1xfr s ILE 43 CO 0.02 -0.26 0.52 0.29 0.00 0.00 0.00 174.94 175.51 1xfr n LYS 44 N 5.52 0.47 -1.85 2.79 5.02 -1.26 -4.98 118.16 123.87 1xfr n LYS 44 Ca -0.08 -0.65 -0.41 0.00 -2.02 0.00 0.00 58.31 55.15 1xfr n LYS 44 Cb 0.48 -0.80 -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 -0.80 -0.52 0.00 0.00 177.40 176.08 1xfr s ASN 45 N -0.27 5.43 0.56 4.39 0.01 -1.26 -4.82 114.94 118.99 1xfr s ASN 45 Ca 0.00 1.20 0.25 0.00 -0.71 0.00 0.00 52.86 53.59 1xfr s ASN 45 Cb 0.00 -2.52 1.53 0.00 0.41 0.00 0.00 41.25 40.67 1xfr s ASN 45 CO 0.00 -2.09 2.12 -0.09 -1.51 0.00 0.00 177.10 175.52 1xfr h ARG 46 N 14.87 0.00 -0.70 -0.60 2.43 -1.96 -1.15 114.38 127.27 1xfr h ARG 46 Ca -0.32 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.91 1xfr h ARG 46 Cb 1.20 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1xfr h ARG 46 CO 1.08 0.00 0.46 0.93 -1.51 0.00 0.00 179.97 180.93 1xfr h GLU 47 N 0.00 0.71 -0.37 0.20 4.39 -1.95 -2.01 114.58 115.54 1xfr h GLU 47 Ca 0.08 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1xfr h GLU 47 Cb 0.39 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1xfr h GLU 47 CO -0.00 0.47 -0.36 1.79 -1.16 0.00 0.00 179.01 179.75 1xfr h THR 48 N 0.73 1.28 -0.54 1.13 1.35 -1.60 -0.02 112.91 115.24 1xfr h THR 48 Ca 0.30 -1.53 0.10 0.00 -0.55 0.00 0.00 66.41 64.73 1xfr h THR 48 Cb 0.25 1.40 -0.08 0.00 -1.73 0.00 0.00 68.15 67.99 1xfr h THR 48 CO -0.10 0.51 0.06 1.23 -0.25 0.00 0.00 175.52 176.97 1xfr h GLY 49 N 0.72 0.62 1.51 5.82 0.00 -1.39 0.33 103.07 110.68 1xfr h GLY 49 Ca 0.06 0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 1xfr h GLY 49 CO 0.09 -0.12 -0.50 0.00 0.00 0.00 0.00 176.54 176.01 1xfr h ALA 51 N 1.05 -0.12 -0.53 0.00 0.00 0.22 0.14 119.26 120.02 1xfr h ALA 51 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1xfr h ALA 51 Cb 1.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1xfr h ALA 51 CO 0.09 -0.53 0.19 0.82 0.00 0.00 0.00 179.25 179.82 1xfr h ILE 52 N -0.18 0.82 0.13 0.00 2.04 -0.38 0.29 117.51 120.22 1xfr h ILE 52 Ca -0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1xfr h ILE 52 Cb 0.15 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1xfr h ILE 52 CO 0.02 0.07 -0.06 -0.03 0.00 0.00 0.00 178.15 178.15 1xfr h MET 53 N 0.38 -0.16 -0.34 2.37 4.05 -1.04 -2.08 114.93 118.11 1xfr h MET 53 Ca 0.26 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.76 1xfr h MET 53 Cb 0.28 0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 31.04 1xfr h MET 53 CO -0.26 -0.09 -0.19 0.00 0.23 0.00 0.00 176.91 176.60 1xfr h LEU 55 N -0.14 -0.81 -0.45 0.00 3.38 -0.72 0.38 115.31 116.95 1xfr h LEU 55 Ca 0.17 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.34 1xfr h LEU 55 Cb 0.40 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1xfr h LEU 55 CO -0.42 -0.34 -0.01 0.28 0.09 0.00 0.00 178.44 178.04 1xfr h SER 56 N -0.42 -0.20 -0.82 -0.43 0.02 -0.96 -0.20 113.55 110.55 1xfr h SER 56 Ca 0.06 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1xfr h SER 56 Cb 0.50 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1xfr h SER 56 CO -0.24 -0.06 0.53 0.74 -1.14 0.00 0.00 176.83 176.66 1xfr h THR 57 N 0.11 1.16 -0.52 -2.27 2.02 -0.80 0.17 112.91 112.79 1xfr h THR 57 Ca 0.22 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1xfr h THR 57 Cb 0.33 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1xfr h THR 57 CO -0.38 0.19 0.33 0.11 0.37 0.00 0.00 175.52 176.15 1xfr h LYS 58 N 1.06 0.68 0.00 6.66 1.57 0.76 0.20 116.57 127.50 1xfr h LYS 58 Ca 0.32 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1xfr h LYS 58 Cb -0.05 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1xfr h LYS 58 CO -0.09 0.46 0.00 1.28 -0.57 0.00 0.00 179.45 180.53 1xfr n LEU 59 N -4.45 0.00 -3.19 2.94 7.99 -0.47 -4.91 117.00 114.91 1xfr n LEU 59 Ca 0.05 0.23 -0.20 0.00 -0.01 0.00 0.00 56.01 56.07 1xfr n LEU 59 Cb 0.06 -0.23 0.07 0.00 -0.11 0.00 0.00 43.42 43.21 1xfr n LEU 59 CO 0.36 -0.04 0.20 -3.20 -1.51 0.00 0.00 177.39 173.19 1xfr n ASN 60 N -1.23 -5.21 -0.27 -1.43 5.15 0.69 -4.97 115.26 108.00 1xfr n ASN 60 Ca 0.13 -0.48 0.14 0.00 -0.60 0.00 0.00 54.58 53.76 1xfr n ASN 60 Cb 0.17 -4.48 0.49 0.00 -0.53 0.00 0.00 39.78 35.44 1xfr n ASN 60 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1xfr n MET 61 N -4.33 1.05 -3.77 1.20 2.81 0.55 -4.71 117.12 109.92 1xfr n MET 61 Ca -0.04 -0.55 -0.36 0.00 -1.81 0.00 0.00 57.70 54.94 1xfr n MET 61 Cb 0.57 -1.49 -0.11 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 -2.33 3.76 0.00 4.03 1.43 -1.26 -0.49 118.68 123.82 1xfr s LEU 62 Ca 0.30 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.20 1xfr s LEU 62 Cb 0.20 -2.00 0.21 0.00 0.03 0.00 0.00 46.19 44.63 1xfr s LEU 62 CO 0.45 0.03 1.15 -0.90 0.23 0.00 0.00 176.35 177.30 1xfr n ASP 63 N 4.52 -0.29 0.00 2.29 5.75 -1.26 -4.75 116.55 122.81 1xfr n ASP 63 Ca -0.16 -1.37 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1xfr n ASP 63 Cb 0.52 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1xfr n ASP 63 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1xfr n PRO 64 N -3.69 0.00 -0.03 0.11 -0.02 -1.26 -0.96 135.00 129.16 1xfr n PRO 64 Ca 0.15 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 1xfr n PRO 64 Cb 0.52 -1.53 -0.16 0.00 -0.02 0.00 0.00 33.50 32.30 1xfr n PRO 64 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xfr n GLU 65 N -1.24 0.67 -1.81 -0.52 -0.58 -1.26 -5.00 120.64 110.89 1xfr n GLU 65 Ca 0.00 -0.16 -0.06 0.00 -0.42 0.00 0.00 57.16 56.52 1xfr n GLU 65 Cb 0.03 -1.51 -0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 1.38 0.35 2.47 0.62 0.00 -0.13 -5.01 105.19 104.86 1xfr n GLY 66 Ca -0.09 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 0.99 0.09 -1.91 1.61 3.02 -1.26 -4.85 115.26 112.95 1xfr n ASN 67 Ca -0.06 -2.51 0.00 0.00 -0.03 0.00 0.00 54.58 51.97 1xfr n ASN 67 Cb 0.44 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 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 2.68 -1.17 -4.56 3.41 7.94 -1.26 -4.81 117.00 119.23 1xfr n LEU 68 Ca 0.28 1.37 -0.37 0.00 -1.11 0.00 0.00 56.01 56.18 1xfr n LEU 68 Cb 0.46 -1.82 -0.04 0.00 0.53 0.00 0.00 43.42 42.56 1xfr n LEU 68 CO 0.11 -1.40 1.41 -2.28 -1.11 0.00 0.00 177.39 174.12 1xfr s HIS 69 N -0.10 2.25 0.31 1.96 5.65 0.36 -4.64 115.29 121.08 1xfr s HIS 69 Ca 0.00 -0.25 0.05 0.00 0.25 0.00 0.00 55.06 55.11 1xfr s HIS 69 Cb 0.00 -4.48 0.68 0.00 -1.18 0.00 0.00 32.58 27.61 1xfr s HIS 69 CO 0.00 -1.93 1.83 0.45 -0.65 0.00 0.00 174.74 174.44 1xfr h HIS 70 N 10.55 1.02 0.00 3.88 -0.00 -1.89 0.06 115.15 128.78 1xfr h HIS 70 Ca 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1xfr h HIS 70 Cb 1.02 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.11 1xfr h HIS 70 CO 1.23 0.36 0.00 0.41 -0.00 0.00 0.00 177.93 179.93 1xfr n GLY 71 N -1.37 -2.56 0.30 2.45 0.00 -1.26 -1.70 105.19 101.04 1xfr n GLY 71 Ca 0.20 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.36 1xfr n GLY 71 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xfr h ASN 72 N 0.00 0.50 -0.11 1.61 4.21 -1.77 0.92 115.58 120.94 1xfr h ASN 72 Ca 0.00 0.08 0.04 0.00 1.21 0.00 0.00 56.30 57.64 1xfr h ASN 72 Cb 0.00 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.15 1xfr h ASN 72 CO 0.00 0.23 -0.21 0.00 -1.29 0.00 0.00 177.43 176.16 1xfr h ALA 73 N 1.52 -0.18 -0.36 -0.83 0.00 -1.06 -0.34 119.26 118.02 1xfr h ALA 73 Ca 0.43 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.24 1xfr h ALA 73 Cb 0.56 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1xfr h ALA 73 CO -0.34 -0.67 -0.31 1.98 0.00 0.00 0.00 179.25 179.91 1xfr h MET 74 N -0.27 0.79 0.15 0.00 1.85 -0.23 -2.26 114.93 114.96 1xfr h MET 74 Ca 0.09 -0.37 0.01 0.00 -0.61 0.00 0.00 59.70 58.83 1xfr h MET 74 Cb 0.41 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.41 1xfr h MET 74 CO -0.27 0.99 -0.23 1.49 -0.40 0.00 0.00 176.91 178.49 1xfr h GLU 75 N 0.67 -0.43 -0.59 0.39 4.22 -0.73 -1.27 114.58 116.84 1xfr h GLU 75 Ca 0.07 0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.64 1xfr h GLU 75 Cb 0.85 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.12 1xfr h GLU 75 CO 0.07 -0.28 0.21 0.35 -2.18 0.00 0.00 179.01 177.18 1xfr h PHE 76 N -0.44 0.36 0.34 0.92 3.57 -0.90 0.16 116.94 120.95 1xfr h PHE 76 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xfr h PHE 76 Cb 0.45 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1xfr h PHE 76 CO -0.19 0.08 -0.22 0.00 -2.23 0.00 0.00 178.31 175.74 1xfr h ALA 77 N 1.41 -1.05 -0.86 2.41 0.00 -1.13 -2.86 119.26 117.18 1xfr h ALA 77 Ca 0.30 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1xfr h ALA 77 Cb 0.37 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1xfr h ALA 77 CO -0.31 -1.03 0.50 0.87 0.00 0.00 0.00 179.25 179.28 1xfr h LYS 78 N -0.53 0.81 -0.64 0.00 6.56 -0.92 -1.52 116.57 120.33 1xfr h LYS 78 Ca -0.05 -0.05 0.13 0.00 -1.06 0.00 0.00 60.65 59.63 1xfr h LYS 78 Cb 0.43 -0.18 -0.10 0.00 -0.57 0.00 0.00 32.23 31.81 1xfr h LYS 78 CO 0.04 0.53 0.09 -0.22 -2.06 0.00 0.00 179.45 177.83 1xfr h LYS 79 N 0.83 0.20 0.00 3.15 3.64 -0.65 -0.57 116.57 123.17 1xfr h LYS 79 Ca 0.42 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1xfr h LYS 79 Cb 0.40 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1xfr h LYS 79 CO -0.26 0.13 0.00 0.45 -2.27 0.00 0.00 179.45 177.51 1xfr h HIS 80 N 0.21 0.00 0.00 1.91 3.86 -1.21 -3.46 115.15 116.46 1xfr h HIS 80 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1xfr h HIS 80 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1xfr h HIS 80 CO -0.29 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.91 1xfr n GLY 81 N 0.41 0.77 3.73 2.45 0.00 -0.23 -4.99 105.19 107.33 1xfr n GLY 81 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.60 2.24 0.66 4.61 0.00 -0.62 -4.97 121.76 122.09 1xfr s ALA 82 Ca 0.00 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 1xfr s ALA 82 Cb 0.00 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1xfr s ALA 82 CO 0.00 -1.68 1.08 -0.51 0.00 0.00 0.00 175.76 174.65 1xfr s ASP 83 N -1.93 5.31 0.06 0.00 1.11 -1.26 -4.40 116.67 115.57 1xfr s ASP 83 Ca 0.75 1.84 -0.18 0.00 0.18 0.00 0.00 52.55 55.15 1xfr s ASP 83 Cb -0.30 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.10 1xfr s ASP 83 CO 0.42 -1.49 1.29 -0.08 1.18 0.00 0.00 175.17 176.49 1xfr h GLU 84 N -0.11 -0.30 0.00 8.23 4.22 -1.99 0.00 114.58 124.63 1xfr h GLU 84 Ca -0.46 0.02 -0.06 0.00 0.08 0.00 0.00 59.36 58.94 1xfr h GLU 84 Cb 1.23 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1xfr h GLU 84 CO 0.55 -0.20 -0.28 1.15 -2.18 0.00 0.00 179.01 178.06 1xfr h THR 85 N -0.31 0.66 -0.32 0.32 2.02 -1.98 -1.02 112.91 112.28 1xfr h THR 85 Ca 0.02 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 1xfr h THR 85 Cb 0.36 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1xfr h THR 85 CO -0.22 0.27 0.10 -0.03 0.37 0.00 0.00 175.52 176.01 1xfr h MET 86 N 0.00 0.49 -0.80 6.66 1.85 -1.89 0.19 114.93 121.43 1xfr h MET 86 Ca -0.00 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 1xfr h MET 86 Cb 0.82 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.74 1xfr h MET 86 CO 0.04 0.53 0.47 0.00 -0.40 0.00 0.00 176.91 177.55 1xfr h ALA 87 N 0.94 1.02 -0.23 0.39 0.00 -0.09 -0.42 119.26 120.87 1xfr h ALA 87 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xfr h ALA 87 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xfr h ALA 87 CO -0.00 0.49 -0.38 0.37 0.00 0.00 0.00 179.25 179.73 1xfr h GLN 88 N 1.09 0.51 -0.01 0.00 5.75 -0.99 -2.40 115.11 119.07 1xfr h GLN 88 Ca 0.28 -0.25 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1xfr h GLN 88 Cb -0.03 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1xfr h GLN 88 CO -0.05 0.81 -0.05 1.96 -2.65 0.00 0.00 178.83 178.85 1xfr h GLN 89 N 0.43 -0.08 -0.34 1.69 1.08 -0.30 0.20 115.11 117.78 1xfr h GLN 89 Ca 0.04 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 1xfr h GLN 89 Cb 0.86 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.23 1xfr h GLN 89 CO 0.07 -0.06 -0.18 -0.07 -0.95 0.00 0.00 178.83 177.65 1xfr h LEU 90 N -0.09 -0.61 -0.32 1.46 3.38 -0.94 -0.53 115.31 117.67 1xfr h LEU 90 Ca 0.03 0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1xfr h LEU 90 Cb 0.12 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xfr h LEU 90 CO -0.06 -0.22 -0.09 0.40 0.09 0.00 0.00 178.44 178.57 1xfr h ILE 91 N -0.13 1.28 -0.16 1.22 5.03 -1.24 -0.09 117.51 123.42 1xfr h ILE 91 Ca 0.17 -1.14 0.03 0.00 -0.12 0.00 0.00 64.86 63.80 1xfr h ILE 91 Cb 0.39 1.37 -0.01 0.00 -3.03 0.00 0.00 36.82 35.54 1xfr h ILE 91 CO -0.42 0.37 0.11 -0.78 -0.68 0.00 0.00 178.15 176.75 1xfr h ASP 92 N 0.39 0.08 0.07 1.72 3.58 0.26 0.33 116.42 122.85 1xfr h ASP 92 Ca 0.08 -0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.20 1xfr h ASP 92 Cb 0.58 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.59 1xfr h ASP 92 CO 0.03 0.05 -1.79 -0.38 -2.88 0.00 0.00 179.24 174.27 1xfr n ILE 93 N -4.51 1.67 0.23 2.25 5.41 -0.29 -1.75 119.36 122.38 1xfr n ILE 93 Ca 0.00 -0.42 -0.15 0.00 1.00 0.00 0.00 62.75 63.18 1xfr n ILE 93 Cb 0.17 -1.83 -0.08 0.00 -0.71 0.00 0.00 39.64 37.19 1xfr n ILE 93 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1xfr h VAL 94 N -0.35 0.59 -0.97 1.39 2.07 -0.65 -0.65 116.25 117.68 1xfr h VAL 94 Ca -0.42 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1xfr h VAL 94 Cb 1.76 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 1xfr h VAL 94 CO -0.05 0.04 0.63 -0.74 0.02 0.00 0.00 177.57 177.47 1xfr h HIS 95 N -0.68 1.15 0.00 1.57 -0.00 -0.55 -0.24 115.15 116.40 1xfr h HIS 95 Ca -0.06 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1xfr h HIS 95 Cb 0.49 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1xfr h HIS 95 CO -0.02 0.62 0.00 0.78 -0.00 0.00 0.00 177.93 179.31 1xfr h GLY 96 N 1.15 0.00 0.00 5.26 0.00 -0.80 -3.05 103.07 105.63 1xfr h GLY 96 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.53 1xfr h GLY 96 CO -0.15 0.00 -1.79 0.00 0.00 0.00 0.00 176.54 174.60 1xfr h GLU 98 N -0.01 0.00 0.00 0.00 5.08 -0.95 0.22 114.58 118.92 1xfr h GLU 98 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1xfr h GLU 98 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1xfr h GLU 98 CO -0.05 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.59 1xfr n LYS 99 N -4.09 2.84 -0.09 2.33 4.01 -1.25 -4.68 118.16 117.23 1xfr n LYS 99 Ca 0.20 -0.25 -0.18 0.00 -0.51 0.00 0.00 58.31 57.57 1xfr n LYS 99 Cb 1.06 -0.74 -0.11 0.00 -0.51 0.00 0.00 35.03 34.73 1xfr n LYS 99 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1xfr h SER 100 N 0.00 0.00 -2.00 4.39 0.87 -1.27 -3.47 113.55 112.07 1xfr h SER 100 Ca 0.00 -0.56 -0.59 0.00 -1.23 0.00 0.00 61.79 59.41 1xfr h SER 100 Cb 0.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1xfr h SER 100 CO 0.00 1.27 1.28 0.41 -0.53 0.00 0.00 176.83 179.26 1xfr n THR 101 N -4.50 0.54 -2.69 2.23 -1.04 0.62 -4.95 114.28 104.48 1xfr n THR 101 Ca -0.23 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.13 1xfr n THR 101 Cb 0.57 -2.15 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 1xfr n THR 101 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xfr s PRO 102 N 5.01 4.53 0.35 -2.82 0.04 -1.26 -4.94 135.00 135.91 1xfr s PRO 102 Ca 0.96 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 63.35 1xfr s PRO 102 Cb -0.55 -3.47 0.02 0.00 0.04 0.00 0.00 34.50 30.54 1xfr s PRO 102 CO 0.45 -0.11 0.60 0.00 0.04 0.00 0.00 177.00 177.97 1xfr s ALA 103 N 1.19 0.07 0.95 8.56 0.00 -1.26 -4.99 121.76 126.28 1xfr s ALA 103 Ca 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1xfr s ALA 103 Cb -0.21 0.96 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1xfr s ALA 103 CO 0.26 -0.88 0.00 0.09 0.00 0.00 0.00 175.76 175.24 1xfr n ASN 104 N -1.29 0.00 0.20 0.00 3.02 -1.26 -4.92 115.26 111.01 1xfr n ASN 104 Ca -0.03 -0.85 0.14 0.00 -0.03 0.00 0.00 54.58 53.81 1xfr n ASN 104 Cb 0.61 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.48 1xfr n ASN 104 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1xfr h ASP 105 N 0.00 0.00 -1.48 6.41 3.58 -2.04 -3.42 116.42 119.47 1xfr h ASP 105 Ca 0.00 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.03 1xfr h ASP 105 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1xfr h ASP 105 CO 0.00 0.00 1.11 -0.62 -2.88 0.00 0.00 179.24 176.85 1xfr s ASP 106 N -4.43 5.20 0.47 2.28 -1.08 -1.26 -4.83 116.67 113.03 1xfr s ASP 106 Ca -0.01 -0.04 0.23 0.00 -0.52 0.00 0.00 52.55 52.20 1xfr s ASP 106 Cb 0.08 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 40.25 1xfr s ASP 106 CO 0.31 -2.53 1.89 0.11 0.52 0.00 0.00 175.17 175.46 1xfr h LYS 107 N 13.60 0.22 0.22 4.34 1.79 -1.99 -0.33 116.57 134.43 1xfr h LYS 107 Ca -0.12 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1xfr h LYS 107 Cb 1.10 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1xfr h LYS 107 CO 1.21 0.15 -0.11 0.00 -1.08 0.00 0.00 179.45 179.62 1xfr h ILE 109 N -0.49 0.91 0.01 0.00 1.08 -1.57 -1.07 117.51 116.38 1xfr h ILE 109 Ca -0.03 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.41 1xfr h ILE 109 Cb 0.37 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1xfr h ILE 109 CO 0.05 0.02 -0.23 -0.25 -0.69 0.00 0.00 178.15 177.05 1xfr h TRP 110 N 0.10 -0.67 -0.37 1.37 7.01 -1.12 -0.27 115.95 122.01 1xfr h TRP 110 Ca 0.08 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1xfr h TRP 110 Cb 0.08 0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 1xfr h TRP 110 CO -0.14 -0.25 0.24 1.15 -2.79 0.00 0.00 178.44 176.65 1xfr h THR 111 N -0.29 1.08 0.02 2.65 2.02 -1.24 0.29 112.91 117.44 1xfr h THR 111 Ca 0.00 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1xfr h THR 111 Cb 0.31 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1xfr h THR 111 CO -0.15 0.09 -0.19 0.25 0.37 0.00 0.00 175.52 175.90 1xfr h LEU 112 N 0.48 -0.54 -0.49 2.58 5.85 -0.91 -0.03 115.31 122.25 1xfr h LEU 112 Ca 0.14 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1xfr h LEU 112 Cb -0.03 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1xfr h LEU 112 CO -0.03 -0.25 0.28 1.23 -0.34 0.00 0.00 178.44 179.32 1xfr h GLY 113 N -0.31 0.70 2.00 3.75 0.00 0.60 -1.13 103.07 108.67 1xfr h GLY 113 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1xfr h GLY 113 CO -0.16 0.16 -0.10 -2.08 0.00 0.00 0.00 176.54 174.35 1xfr h VAL 114 N 0.55 0.82 0.03 4.60 2.07 -0.75 -2.00 116.25 121.57 1xfr h VAL 114 Ca 0.21 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1xfr h VAL 114 Cb 0.06 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1xfr h VAL 114 CO -0.12 0.10 -0.48 0.00 0.02 0.00 0.00 177.57 177.10 1xfr h ALA 115 N 1.90 0.02 -0.29 1.67 0.00 -0.27 -3.23 119.26 119.06 1xfr h ALA 115 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1xfr h ALA 115 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xfr h ALA 115 CO 0.01 0.24 -0.04 1.15 0.00 0.00 0.00 179.25 180.61 1xfr h THR 116 N -0.37 1.19 0.05 0.00 2.02 -0.52 0.21 112.91 115.50 1xfr h THR 116 Ca -0.07 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1xfr h THR 116 Cb 1.25 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1xfr h THR 116 CO 0.09 0.26 -0.03 0.00 0.37 0.00 0.00 175.52 176.22 1xfr h PHE 118 N -0.60 0.39 -0.42 0.00 3.57 -1.49 -2.14 116.94 116.24 1xfr h PHE 118 Ca -0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1xfr h PHE 118 Cb 0.53 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 1xfr h PHE 118 CO 0.10 0.13 -0.54 -0.22 -2.23 0.00 0.00 178.31 175.54 1xfr h LYS 119 N 0.42 -0.37 -1.00 1.11 3.64 -0.67 -0.81 116.57 118.89 1xfr h LYS 119 Ca 0.27 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.89 1xfr h LYS 119 Cb 0.29 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.09 1xfr h LYS 119 CO -0.26 -0.25 0.61 0.00 -2.27 0.00 0.00 179.45 177.29 1xfr h ALA 120 N 0.03 1.80 -0.61 5.00 0.00 -1.32 0.82 119.26 124.98 1xfr h ALA 120 Ca 0.08 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1xfr h ALA 120 Cb 0.59 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1xfr h ALA 120 CO -0.60 -0.19 0.17 0.93 0.00 0.00 0.00 179.25 179.56 1xfr h GLU 121 N 0.66 0.96 -0.54 0.00 5.08 -0.96 -2.06 114.58 117.73 1xfr h GLU 121 Ca 0.58 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xfr h GLU 121 Cb 1.05 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1xfr h GLU 121 CO -0.37 0.86 0.35 0.82 -1.00 0.00 0.00 179.01 179.67 1xfr h ILE 122 N 0.88 1.14 -0.74 3.13 1.08 0.04 0.23 117.51 123.27 1xfr h ILE 122 Ca 0.20 -0.26 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1xfr h ILE 122 Cb 0.31 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 1xfr h ILE 122 CO -0.00 0.14 0.49 0.45 -0.69 0.00 0.00 178.15 178.53 1xfr h HIS 123 N 0.73 0.87 0.05 1.37 3.86 -1.15 -1.27 115.15 119.61 1xfr h HIS 123 Ca 0.20 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.31 1xfr h HIS 123 Cb -0.08 -0.29 0.01 0.00 1.06 0.00 0.00 27.41 28.11 1xfr h HIS 123 CO -0.04 0.52 -0.49 0.87 0.86 0.00 0.00 177.93 179.65 1xfr h LYS 124 N 0.91 0.24 0.00 2.45 1.57 -0.60 -3.18 116.57 117.96 1xfr h LYS 124 Ca 0.29 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xfr h LYS 124 Cb 0.03 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1xfr h LYS 124 CO -0.08 1.09 0.00 1.28 -0.57 0.00 0.00 179.45 181.17 1xfr n LEU 125 N -4.32 0.57 -3.19 2.94 4.77 0.71 -4.87 117.00 113.61 1xfr n LEU 125 Ca -0.11 0.74 -0.19 0.00 -0.03 0.00 0.00 56.01 56.42 1xfr n LEU 125 Cb 0.65 -0.79 0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1xfr n LEU 125 CO 0.43 -0.88 0.19 -3.20 -1.33 0.00 0.00 177.39 172.60 1xfr n ASN 126 N -2.25 -4.86 -1.42 -1.43 2.85 -0.57 -4.92 115.26 102.67 1xfr n ASN 126 Ca -0.01 -0.49 0.11 0.00 -0.11 0.00 0.00 54.58 54.08 1xfr n ASN 126 Cb 0.07 -4.49 0.33 0.00 1.24 0.00 0.00 39.78 36.93 1xfr n ASN 126 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1xfr n TRP 127 N -4.45 1.14 -0.48 1.20 8.01 -0.68 -4.69 117.44 117.48 1xfr n TRP 127 Ca -0.06 -0.54 0.00 0.00 -1.31 0.00 0.00 57.50 55.59 1xfr n TRP 127 Cb 0.58 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.80 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68