#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 -0.03 -0.87 1.43 -0.00 -1.88 -1.11 115.11 112.65 1xfr h GLN 2 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 58.78 1xfr h GLN 2 Cb 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 27.48 27.40 1xfr h GLN 2 CO 0.00 -0.02 0.48 1.49 0.00 0.00 0.00 178.83 180.78 1xfr h GLU 3 N -0.03 0.72 -0.16 1.69 4.81 -1.99 -0.07 114.58 119.54 1xfr h GLU 3 Ca 0.32 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.36 1xfr h GLU 3 Cb 0.52 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1xfr h GLU 3 CO -0.72 0.47 -0.51 0.28 -0.73 0.00 0.00 179.01 177.80 1xfr h VAL 4 N 0.74 1.33 -0.22 0.32 2.07 -1.55 -0.50 116.25 118.43 1xfr h VAL 4 Ca 0.45 -1.76 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1xfr h VAL 4 Cb 0.54 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1xfr h VAL 4 CO -0.31 0.54 -0.04 -0.03 0.02 0.00 0.00 177.57 177.75 1xfr h MET 5 N 0.34 0.02 0.03 1.57 4.05 -0.62 0.26 114.93 120.58 1xfr h MET 5 Ca 0.01 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1xfr h MET 5 Cb 1.02 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.80 1xfr h MET 5 CO 0.09 0.01 -0.10 -0.22 0.23 0.00 0.00 176.91 176.92 1xfr h LYS 6 N 0.02 -0.18 -0.46 0.39 1.63 -1.03 -0.97 116.57 115.97 1xfr h LYS 6 Ca 0.10 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.87 1xfr h LYS 6 Cb 0.15 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1xfr h LYS 6 CO -0.21 -0.12 0.12 -0.97 -3.45 0.00 0.00 179.45 174.81 1xfr h ASN 7 N -0.19 0.69 0.00 4.20 -1.24 -0.89 -0.38 115.58 117.77 1xfr h ASN 7 Ca 0.03 -0.23 0.03 0.00 0.71 0.00 0.00 56.30 56.84 1xfr h ASN 7 Cb 0.22 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 1xfr h ASN 7 CO -0.09 0.74 -0.20 -0.07 -1.29 0.00 0.00 177.43 176.52 1xfr h LEU 8 N 0.61 -0.58 -1.41 0.34 3.38 -0.35 -0.43 115.31 116.88 1xfr h LEU 8 Ca 0.14 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1xfr h LEU 8 Cb 0.31 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1xfr h LEU 8 CO 0.00 -0.26 0.42 -1.28 0.09 0.00 0.00 178.44 177.41 1xfr h SER 9 N -0.32 0.67 0.03 -0.43 0.87 -0.92 0.23 113.55 113.69 1xfr h SER 9 Ca 0.06 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1xfr h SER 9 Cb 0.39 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1xfr h SER 9 CO -0.18 0.46 -0.02 0.25 -0.53 0.00 0.00 176.83 176.81 1xfr h LEU 10 N 0.78 -0.04 -0.10 2.23 5.85 -0.40 -0.95 115.31 122.68 1xfr h LEU 10 Ca 0.25 -0.27 -0.23 0.00 0.84 0.00 0.00 57.88 58.47 1xfr h LEU 10 Cb 0.05 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1xfr h LEU 10 CO -0.07 0.25 -1.02 0.78 -0.34 0.00 0.00 178.44 178.04 1xfr h ASN 11 N -0.33 0.39 -0.19 1.25 2.35 -0.78 -2.91 115.58 115.35 1xfr h ASN 11 Ca -0.00 -0.35 0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1xfr h ASN 11 Cb 0.31 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.50 1xfr h ASN 11 CO 0.01 1.19 -0.15 0.15 -1.65 0.00 0.00 177.43 176.98 1xfr h PHE 12 N 0.13 -0.39 0.00 1.19 3.57 -0.56 -2.57 116.94 118.31 1xfr h PHE 12 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1xfr h PHE 12 Cb 1.69 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.63 1xfr h PHE 12 CO 0.05 -0.22 0.00 0.41 -2.23 0.00 0.00 178.31 176.32 1xfr n GLY 13 N -1.31 -0.52 0.50 2.40 0.00 -0.36 -4.06 105.19 101.84 1xfr n GLY 13 Ca -0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -1.15 0.00 1.61 1.79 -1.36 -2.97 116.57 114.48 1xfr h LYS 14 Ca 0.00 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1xfr h LYS 14 Cb 0.00 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1xfr h LYS 14 CO 0.00 -0.77 0.00 0.00 -1.08 0.00 0.00 179.45 177.60 1xfr n ALA 15 N -2.69 1.93 -0.09 3.86 0.00 -1.26 -4.03 120.51 118.23 1xfr n ALA 15 Ca -0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1xfr n ALA 15 Cb 0.49 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 0.00 0.34 -1.40 0.00 5.85 -1.80 -1.42 115.31 116.88 1xfr h LEU 16 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1xfr h LEU 16 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1xfr h LEU 16 CO 0.00 0.24 0.12 -0.78 -0.34 0.00 0.00 178.44 177.68 1xfr h ASP 17 N 0.40 0.48 0.20 1.25 1.82 -1.84 0.25 116.42 118.98 1xfr h ASP 17 Ca 0.11 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 1xfr h ASP 17 Cb -0.04 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 39.85 1xfr h ASP 17 CO -0.03 0.46 -0.10 -0.33 -1.61 0.00 0.00 179.24 177.63 1xfr h GLU 18 N 0.52 -0.26 -0.86 0.28 4.39 -1.75 -2.94 114.58 113.96 1xfr h GLU 18 Ca 0.13 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.93 1xfr h GLU 18 Cb 0.15 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 1xfr h GLU 18 CO -0.01 0.06 0.56 0.00 -1.16 0.00 0.00 179.01 178.46 1xfr h LYS 20 N 0.87 1.15 0.01 0.00 1.57 -0.48 -1.14 116.57 118.55 1xfr h LYS 20 Ca 0.39 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.80 1xfr h LYS 20 Cb 0.37 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 1xfr h LYS 20 CO -0.16 0.76 -1.77 1.63 -0.57 0.00 0.00 179.45 179.34 1xfr n LYS 21 N -4.44 0.65 -0.18 3.15 5.02 -0.82 -0.49 118.16 121.04 1xfr n LYS 21 Ca 0.12 0.28 -0.02 0.00 -2.02 0.00 0.00 58.31 56.68 1xfr n LYS 21 Cb 0.10 -1.77 0.08 0.00 -0.02 0.00 0.00 35.03 33.42 1xfr n LYS 21 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xfr h GLU 22 N 0.01 0.32 -0.04 1.97 4.39 -0.63 -3.28 114.58 117.31 1xfr h GLU 22 Ca -0.31 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1xfr h GLU 22 Cb 2.03 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1xfr h GLU 22 CO 0.08 0.21 0.00 -1.33 -1.16 0.00 0.00 179.01 176.81 1xfr n MET 23 N -5.04 0.75 -3.33 2.33 2.81 -0.45 -5.03 117.12 109.17 1xfr n MET 23 Ca 0.07 -1.05 -0.16 0.00 -1.81 0.00 0.00 57.70 54.74 1xfr n MET 23 Cb 0.25 -1.07 0.01 0.00 -0.71 0.00 0.00 33.22 31.70 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 0.04 -7.14 -4.68 2.03 -1.04 -0.89 -5.02 114.28 97.58 1xfr n THR 24 Ca 0.02 0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.82 1xfr n THR 24 Cb 0.16 -5.17 -0.14 0.00 -1.82 0.00 0.00 70.33 63.36 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 -3.73 2.85 0.97 -4.42 1.43 0.35 -5.02 118.68 111.12 1xfr s LEU 25 Ca 0.12 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 1xfr s LEU 25 Cb -0.02 -1.65 0.17 0.00 0.03 0.00 0.00 46.19 44.72 1xfr s LEU 25 CO 0.82 0.16 1.09 0.42 0.23 0.00 0.00 176.35 179.07 1xfr s THR 26 N 0.36 2.32 -0.96 5.49 -4.23 -1.26 -4.70 115.64 112.67 1xfr s THR 26 Ca -0.09 0.11 0.28 0.00 -1.18 0.00 0.00 61.69 60.80 1xfr s THR 26 Cb -0.15 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.39 1xfr s THR 26 CO 0.05 -0.14 1.88 -0.67 -0.54 0.00 0.00 174.62 175.21 1xfr n ASP 27 N -4.13 0.13 -0.02 3.99 2.03 -1.26 -3.19 116.55 114.10 1xfr n ASP 27 Ca 0.06 0.51 0.18 0.00 0.52 0.00 0.00 54.79 56.06 1xfr n ASP 27 Cb 0.56 -0.55 0.64 0.00 -0.72 0.00 0.00 41.12 41.06 1xfr n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xfr h ALA 28 N 2.90 2.38 0.00 -1.67 0.00 -2.01 -1.31 119.26 119.55 1xfr h ALA 28 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xfr h ALA 28 Cb 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xfr h ALA 28 CO 0.00 -0.53 -0.09 -0.84 0.00 0.00 0.00 179.25 177.78 1xfr h ILE 29 N 0.10 0.42 -0.14 0.00 3.07 -1.93 -0.00 117.51 119.03 1xfr h ILE 29 Ca 0.26 -0.50 -0.03 0.00 1.55 0.00 0.00 64.86 66.14 1xfr h ILE 29 Cb 0.90 1.35 -0.01 0.00 -0.27 0.00 0.00 36.82 38.79 1xfr h ILE 29 CO -0.03 0.09 -0.06 0.78 -1.05 0.00 0.00 178.15 177.89 1xfr h ASN 30 N 0.00 0.19 1.06 2.16 2.35 -1.47 -1.28 115.58 118.58 1xfr h ASN 30 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1xfr h ASN 30 Cb 0.34 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1xfr h ASN 30 CO 0.01 0.28 0.00 -0.62 -1.65 0.00 0.00 177.43 175.46 1xfr n GLU 31 N -4.35 0.10 0.00 0.81 1.02 -0.02 -0.31 120.64 117.88 1xfr n GLU 31 Ca -0.01 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1xfr n GLU 31 Cb 0.20 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1xfr n GLU 31 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xfr n ASP 32 N -1.81 0.00 0.09 1.62 2.03 -0.60 -3.52 116.55 114.35 1xfr n ASP 32 Ca 0.06 0.61 0.20 0.00 0.52 0.00 0.00 54.79 56.18 1xfr n ASP 32 Cb 0.33 -0.47 0.74 0.00 -0.72 0.00 0.00 41.12 41.00 1xfr n ASP 32 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1xfr h PHE 33 N 0.00 0.00 0.31 -0.67 0.04 -1.17 0.32 116.94 115.77 1xfr h PHE 33 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1xfr h PHE 33 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1xfr h PHE 33 CO 0.06 0.00 -0.15 -0.92 -0.60 0.00 0.00 178.31 176.70 1xfr h TYR 34 N 0.00 -0.38 -0.31 -0.55 3.20 -0.87 -3.36 116.97 114.69 1xfr h TYR 34 Ca 0.20 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1xfr h TYR 34 Cb 1.12 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1xfr h TYR 34 CO 0.00 -0.12 0.00 0.09 -1.64 0.00 0.00 178.16 176.49 1xfr n ASN 35 N -5.05 1.84 -0.23 -2.11 3.02 0.16 -4.26 115.26 108.63 1xfr n ASN 35 Ca -0.07 -2.05 0.15 0.00 -0.03 0.00 0.00 54.58 52.59 1xfr n ASN 35 Cb 0.22 -0.25 0.45 0.00 -0.61 0.00 0.00 39.78 39.58 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 1.83 0.66 -1.00 3.10 3.57 -0.64 0.91 116.94 125.37 1xfr h PHE 36 Ca 0.00 0.02 -0.54 0.00 3.53 0.00 0.00 57.97 60.98 1xfr h PHE 36 Cb 0.50 -0.21 -0.31 0.00 2.79 0.00 0.00 35.95 38.73 1xfr h PHE 36 CO 0.24 0.23 0.68 0.91 -2.23 0.00 0.00 178.31 178.14 1xfr n TRP 37 N -4.53 3.09 -1.29 0.41 7.02 -1.26 -4.89 117.44 115.99 1xfr n TRP 37 Ca 0.17 -1.98 -0.29 0.00 -1.02 0.00 0.00 57.50 54.38 1xfr n TRP 37 Cb 0.54 -1.01 0.16 0.00 -2.42 0.00 0.00 31.31 28.59 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 -3.36 0.76 -0.95 -0.99 1.02 0.31 -4.96 119.74 111.57 1xfr s LYS 38 Ca 0.58 0.48 -0.24 0.00 0.02 0.00 0.00 55.97 56.81 1xfr s LYS 38 Cb 0.48 -1.78 0.02 0.00 -0.52 0.00 0.00 37.83 36.04 1xfr s LYS 38 CO 0.10 -2.50 1.57 -2.00 -0.92 0.00 0.00 175.35 171.60 1xfr s GLU 39 N -5.06 3.27 0.00 1.68 2.12 -1.26 -4.03 118.70 115.42 1xfr s GLU 39 Ca 0.65 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 55.19 1xfr s GLU 39 Cb -0.17 -5.16 0.00 0.00 0.26 0.00 0.00 34.13 29.06 1xfr s GLU 39 CO 0.56 -2.50 0.00 0.41 -0.54 0.00 0.00 175.26 173.19 1xfr n GLY 40 N 6.72 0.56 3.78 -1.50 0.00 -1.26 -5.01 105.19 108.47 1xfr n GLY 40 Ca 0.32 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 2.57 0.20 1.61 6.14 -1.26 -5.02 117.35 119.59 1xfr s TYR 41 Ca 0.00 1.13 0.09 0.00 0.64 0.00 0.00 57.07 58.92 1xfr s TYR 41 Cb 0.00 -4.05 -0.04 0.00 0.42 0.00 0.00 41.96 38.29 1xfr s TYR 41 CO 0.00 -3.10 -0.05 -1.83 0.64 0.00 0.00 175.55 171.21 1xfr s GLU 42 N -2.01 2.21 -0.13 4.97 -1.05 -1.26 -4.96 118.70 116.47 1xfr s GLU 42 Ca 0.54 -1.26 -0.01 0.00 -0.15 0.00 0.00 54.97 54.09 1xfr s GLU 42 Cb -0.47 -2.22 0.04 0.00 -0.44 0.00 0.00 34.13 31.04 1xfr s GLU 42 CO 0.63 0.42 -0.03 0.42 0.95 0.00 0.00 175.26 177.65 1xfr s ILE 43 N -1.86 0.77 0.00 1.83 1.01 -1.26 -4.98 121.20 116.72 1xfr s ILE 43 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1xfr s ILE 43 Cb -0.08 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1xfr s ILE 43 CO 0.17 0.18 0.00 0.29 0.00 0.00 0.00 174.94 175.58 1xfr n LYS 44 N 5.00 4.13 -1.49 2.79 4.01 -1.26 -5.06 118.16 126.29 1xfr n LYS 44 Ca -0.10 0.00 -0.49 0.00 -0.51 0.00 0.00 58.31 57.21 1xfr n LYS 44 Cb 0.49 -0.38 -0.06 0.00 -0.51 0.00 0.00 35.03 34.57 1xfr n LYS 44 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1xfr n ASN 45 N -0.07 2.44 0.20 4.39 4.13 -1.26 -4.82 115.26 120.26 1xfr n ASN 45 Ca 0.00 0.38 0.17 0.00 1.68 0.00 0.00 54.58 56.81 1xfr n ASN 45 Cb 0.00 -1.33 0.82 0.00 -1.54 0.00 0.00 39.78 37.72 1xfr n ASN 45 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1xfr h ARG 46 N 12.90 0.00 -0.79 3.52 2.43 -1.97 -0.81 114.38 129.66 1xfr h ARG 46 Ca -0.31 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.91 1xfr h ARG 46 Cb 1.30 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.80 1xfr h ARG 46 CO 1.00 0.00 0.52 0.93 -1.51 0.00 0.00 179.97 180.91 1xfr h GLU 47 N 0.00 0.88 -0.16 0.20 3.07 -1.95 -2.01 114.58 114.62 1xfr h GLU 47 Ca 0.08 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.71 1xfr h GLU 47 Cb 0.45 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1xfr h GLU 47 CO -0.00 0.58 -0.61 1.79 -1.40 0.00 0.00 179.01 179.38 1xfr h THR 48 N 0.91 1.31 -0.77 1.13 1.35 -1.52 -0.74 112.91 114.58 1xfr h THR 48 Ca 0.33 -1.85 0.03 0.00 -0.55 0.00 0.00 66.41 64.37 1xfr h THR 48 Cb 0.15 2.00 -0.05 0.00 -1.73 0.00 0.00 68.15 68.53 1xfr h THR 48 CO -0.11 0.58 0.49 1.23 -0.25 0.00 0.00 175.52 177.46 1xfr h GLY 49 N 0.38 1.12 1.37 5.82 0.00 -1.53 -0.10 103.07 110.12 1xfr h GLY 49 Ca -0.03 -0.37 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 1xfr h GLY 49 CO 0.13 0.32 -0.48 0.00 0.00 0.00 0.00 176.54 176.50 1xfr h ALA 51 N 0.93 0.35 -0.12 0.00 0.00 -0.06 0.15 119.26 120.51 1xfr h ALA 51 Ca 0.03 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xfr h ALA 51 Cb 1.03 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1xfr h ALA 51 CO 0.10 -0.31 -0.14 0.82 0.00 0.00 0.00 179.25 179.72 1xfr h ILE 52 N 0.23 0.62 -0.85 0.00 2.04 -1.04 0.39 117.51 118.90 1xfr h ILE 52 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.02 1xfr h ILE 52 Cb 0.13 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1xfr h ILE 52 CO -0.16 0.00 0.56 -0.03 0.00 0.00 0.00 178.15 178.52 1xfr h MET 53 N -0.17 1.08 -0.27 2.37 4.05 -0.97 0.24 114.93 121.25 1xfr h MET 53 Ca 0.09 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 1xfr h MET 53 Cb 0.30 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1xfr h MET 53 CO -0.22 0.71 0.05 0.00 0.23 0.00 0.00 176.91 177.68 1xfr h LEU 55 N 0.26 0.04 -0.47 0.00 3.38 -0.01 0.20 115.31 118.70 1xfr h LEU 55 Ca 0.08 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1xfr h LEU 55 Cb 0.32 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1xfr h LEU 55 CO 0.00 0.04 0.10 0.28 0.09 0.00 0.00 178.44 178.95 1xfr h SER 56 N 0.04 0.01 0.01 -0.43 0.02 -0.98 -1.66 113.55 110.55 1xfr h SER 56 Ca 0.01 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1xfr h SER 56 Cb 0.00 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1xfr h SER 56 CO -0.00 0.03 -0.34 0.74 -1.14 0.00 0.00 176.83 176.13 1xfr h THR 57 N 0.23 0.28 0.00 -2.27 2.02 -0.55 0.34 112.91 112.96 1xfr h THR 57 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1xfr h THR 57 Cb 0.31 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1xfr h THR 57 CO -0.31 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.69 1xfr h LYS 58 N -0.49 0.00 -0.64 6.66 1.57 0.10 0.89 116.57 124.66 1xfr h LYS 58 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1xfr h LYS 58 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1xfr h LYS 58 CO -0.27 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.89 1xfr n LEU 59 N -2.76 3.77 -3.10 2.94 4.77 -0.70 -4.95 117.00 116.98 1xfr n LEU 59 Ca -0.01 -1.89 -0.21 0.00 -0.03 0.00 0.00 56.01 53.87 1xfr n LEU 59 Cb 0.16 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1xfr n LEU 59 CO 0.20 0.79 -0.05 0.59 -1.33 0.00 0.00 177.39 177.59 1xfr n ASN 60 N 1.18 -4.49 -0.15 -1.43 3.02 0.31 -4.90 115.26 108.80 1xfr n ASN 60 Ca 0.22 -0.26 0.15 0.00 -0.03 0.00 0.00 54.58 54.66 1xfr n ASN 60 Cb 0.65 -3.70 0.74 0.00 -0.61 0.00 0.00 39.78 36.87 1xfr n ASN 60 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1xfr n MET 61 N -3.65 1.05 -4.09 3.52 2.81 0.08 -4.67 117.12 112.16 1xfr n MET 61 Ca -0.07 -0.30 -0.34 0.00 -1.81 0.00 0.00 57.70 55.17 1xfr n MET 61 Cb 0.58 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.49 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 -2.16 3.71 0.97 4.03 1.43 -1.26 -0.45 118.68 124.96 1xfr s LEU 62 Ca 0.39 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.40 1xfr s LEU 62 Cb 0.21 -1.93 0.17 0.00 0.03 0.00 0.00 46.19 44.68 1xfr s LEU 62 CO 0.39 0.18 1.14 1.51 0.23 0.00 0.00 176.35 179.81 1xfr s ASP 63 N 0.32 2.92 0.00 2.29 1.47 -1.26 -4.67 116.67 117.74 1xfr s ASP 63 Ca 0.02 0.90 0.07 0.00 1.18 0.00 0.00 52.55 54.72 1xfr s ASP 63 Cb -0.13 -1.40 0.42 0.00 -0.34 0.00 0.00 42.92 41.47 1xfr s ASP 63 CO 0.01 -2.91 0.83 -0.81 0.68 0.00 0.00 175.17 172.96 1xfr n PRO 64 N -3.99 0.38 -0.09 2.11 -0.04 -1.26 -2.60 135.00 129.52 1xfr n PRO 64 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1xfr n PRO 64 Cb 0.59 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.78 0.89 0.00 0.54 -0.58 -1.26 -5.03 120.64 114.42 1xfr n GLU 65 Ca 0.05 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1xfr n GLU 65 Cb 0.02 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 2.35 1.63 1.17 0.62 0.00 -1.07 -5.06 105.19 104.83 1xfr n GLY 66 Ca -0.31 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.14 -2.23 1.61 4.13 -1.26 -4.93 115.26 113.71 1xfr n ASN 67 Ca 0.00 -2.49 -0.01 0.00 1.68 0.00 0.00 54.58 53.75 1xfr n ASN 67 Cb 0.00 -0.35 -0.01 0.00 -1.54 0.00 0.00 39.78 37.88 1xfr n ASN 67 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1xfr n LEU 68 N 0.02 -5.88 -4.56 3.41 7.94 -1.26 -4.84 117.00 111.83 1xfr n LEU 68 Ca 0.09 2.34 -0.27 0.00 -1.11 0.00 0.00 56.01 57.06 1xfr n LEU 68 Cb 0.99 -2.95 -0.05 0.00 0.53 0.00 0.00 43.42 41.95 1xfr n LEU 68 CO -0.04 -2.78 1.44 -2.28 -1.11 0.00 0.00 177.39 172.63 1xfr s HIS 69 N -0.53 1.54 0.26 1.96 5.65 0.41 -4.68 115.29 119.90 1xfr s HIS 69 Ca -0.07 1.08 -0.10 0.00 0.25 0.00 0.00 55.06 56.23 1xfr s HIS 69 Cb 0.00 -3.86 0.39 0.00 -1.18 0.00 0.00 32.58 27.93 1xfr s HIS 69 CO 0.18 -1.90 1.58 0.45 -0.65 0.00 0.00 174.74 174.40 1xfr h HIS 70 N 13.24 -0.47 0.00 3.88 -0.00 -1.88 0.15 115.15 130.07 1xfr h HIS 70 Ca -0.03 0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1xfr h HIS 70 Cb 1.06 0.34 0.00 0.00 -0.00 0.00 0.00 27.41 28.82 1xfr h HIS 70 CO 1.14 -0.38 0.00 0.41 -0.00 0.00 0.00 177.93 179.10 1xfr n GLY 71 N -1.57 -2.80 0.17 2.45 0.00 -1.26 -1.48 105.19 100.70 1xfr n GLY 71 Ca 0.13 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.47 1xfr n GLY 71 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xfr h ASN 72 N 0.00 0.00 -0.45 1.61 -1.24 -1.72 -0.55 115.58 113.24 1xfr h ASN 72 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.06 1xfr h ASN 72 Cb 0.00 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1xfr h ASN 72 CO 0.00 0.43 0.19 0.00 -1.29 0.00 0.00 177.43 176.77 1xfr h ALA 73 N 1.57 0.55 -0.30 1.57 0.00 -1.02 0.29 119.26 121.92 1xfr h ALA 73 Ca -0.00 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1xfr h ALA 73 Cb 1.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1xfr h ALA 73 CO 0.06 -0.18 -0.31 1.98 0.00 0.00 0.00 179.25 180.80 1xfr h MET 74 N 0.39 0.73 0.04 0.00 1.85 -0.75 -2.83 114.93 114.36 1xfr h MET 74 Ca 0.20 -0.39 0.02 0.00 -0.61 0.00 0.00 59.70 58.93 1xfr h MET 74 Cb 0.16 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.17 1xfr h MET 74 CO -0.18 1.01 -0.20 1.49 -0.40 0.00 0.00 176.91 178.63 1xfr h GLU 75 N 0.48 -0.33 -0.73 0.39 4.22 -0.95 -1.12 114.58 116.55 1xfr h GLU 75 Ca 0.05 0.02 0.12 0.00 0.08 0.00 0.00 59.36 59.62 1xfr h GLU 75 Cb 0.88 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.12 1xfr h GLU 75 CO 0.08 -0.22 0.32 0.35 -2.18 0.00 0.00 179.01 177.36 1xfr h PHE 76 N -0.35 0.57 0.51 0.92 3.57 -0.94 0.28 116.94 121.50 1xfr h PHE 76 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1xfr h PHE 76 Cb 0.40 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1xfr h PHE 76 CO -0.23 0.15 -0.32 0.00 -2.23 0.00 0.00 178.31 175.68 1xfr h ALA 77 N 1.48 -1.14 0.00 2.41 0.00 -1.21 -3.15 119.26 117.66 1xfr h ALA 77 Ca 0.38 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xfr h ALA 77 Cb 0.49 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xfr h ALA 77 CO -0.33 -1.11 -0.24 0.87 0.00 0.00 0.00 179.25 178.43 1xfr h LYS 78 N -0.78 0.00 -0.76 0.00 6.56 -0.55 -1.58 116.57 119.47 1xfr h LYS 78 Ca -0.07 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.66 1xfr h LYS 78 Cb 0.62 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.19 1xfr h LYS 78 CO 0.06 0.24 0.33 -0.22 -2.06 0.00 0.00 179.45 177.80 1xfr h LYS 79 N 0.00 0.47 -0.03 3.15 3.64 -0.50 -0.39 116.57 122.91 1xfr h LYS 79 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xfr h LYS 79 Cb 0.51 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1xfr h LYS 79 CO 0.03 0.31 0.00 0.72 -2.27 0.00 0.00 179.45 178.25 1xfr n HIS 80 N -4.96 0.04 -1.23 1.91 8.25 -0.63 -4.88 115.22 113.72 1xfr n HIS 80 Ca 0.14 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1xfr n HIS 80 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 0.88 0.61 3.76 -1.41 0.00 -0.15 -4.88 105.19 104.00 1xfr n GLY 81 Ca 0.16 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 2.54 0.72 4.61 0.00 -1.01 -4.81 121.76 121.81 1xfr s ALA 82 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 1xfr s ALA 82 Cb 0.00 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1xfr s ALA 82 CO 0.00 -1.12 1.08 -0.51 0.00 0.00 0.00 175.76 175.21 1xfr s ASP 83 N -2.01 5.03 0.06 0.00 1.01 -1.26 -4.58 116.67 114.92 1xfr s ASP 83 Ca 0.72 1.75 -0.23 0.00 0.71 0.00 0.00 52.55 55.50 1xfr s ASP 83 Cb -0.25 -2.51 -0.14 0.00 1.01 0.00 0.00 42.92 41.03 1xfr s ASP 83 CO 0.35 -1.68 1.58 -0.08 0.21 0.00 0.00 175.17 175.55 1xfr h GLU 84 N -0.73 0.09 -0.21 8.23 4.22 -1.98 0.97 114.58 125.17 1xfr h GLU 84 Ca -0.44 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.02 1xfr h GLU 84 Cb 1.22 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1xfr h GLU 84 CO 0.54 0.24 -0.04 1.15 -2.18 0.00 0.00 179.01 178.73 1xfr h THR 85 N -0.07 0.80 -0.40 0.32 2.02 -1.99 0.10 112.91 113.69 1xfr h THR 85 Ca 0.02 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1xfr h THR 85 Cb 0.18 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 1xfr h THR 85 CO -0.00 0.00 0.13 -0.03 0.37 0.00 0.00 175.52 176.00 1xfr h MET 86 N 0.02 0.28 -0.48 6.66 1.85 -1.89 0.33 114.93 121.69 1xfr h MET 86 Ca 0.10 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 59.06 1xfr h MET 86 Cb 0.15 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 1xfr h MET 86 CO -0.21 0.19 -0.15 0.00 -0.40 0.00 0.00 176.91 176.34 1xfr h ALA 87 N 1.27 0.83 -0.09 0.39 0.00 -0.35 0.24 119.26 121.55 1xfr h ALA 87 Ca 0.19 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xfr h ALA 87 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xfr h ALA 87 CO -0.20 0.65 -0.02 1.96 0.00 0.00 0.00 179.25 181.65 1xfr h GLN 88 N 0.82 0.00 -0.47 0.00 1.08 -0.59 -2.82 115.11 113.13 1xfr h GLN 88 Ca 0.12 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 1xfr h GLN 88 Cb 0.69 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 1xfr h GLN 88 CO 0.05 0.00 0.12 1.96 -0.95 0.00 0.00 178.83 180.01 1xfr h GLN 89 N 0.00 0.70 0.00 1.46 4.20 -0.57 0.38 115.11 121.29 1xfr h GLN 89 Ca 0.04 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1xfr h GLN 89 Cb 0.06 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1xfr h GLN 89 CO -0.09 0.64 0.00 1.28 -0.67 0.00 0.00 178.83 179.99 1xfr n LEU 90 N -4.30 0.00 -0.10 1.46 4.77 0.81 -1.01 117.00 118.63 1xfr n LEU 90 Ca 0.03 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 1xfr n LEU 90 Cb 0.21 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1xfr n LEU 90 CO 0.39 -0.12 -1.19 -0.38 -1.33 0.00 0.00 177.39 174.76 1xfr n ILE 91 N -1.22 1.16 -0.30 -0.08 -0.00 -0.46 -4.50 119.36 113.96 1xfr n ILE 91 Ca 0.08 -0.27 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1xfr n ILE 91 Cb 0.10 -1.80 0.13 0.00 -0.00 0.00 0.00 39.64 38.07 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 -0.75 0.79 -0.18 4.38 1.82 0.15 0.63 116.42 123.25 1xfr h ASP 92 Ca -0.51 0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 55.98 1xfr h ASP 92 Cb 1.43 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 41.29 1xfr h ASP 92 CO -0.31 0.50 -0.49 0.40 -1.61 0.00 0.00 179.24 177.73 1xfr h ILE 93 N 0.92 1.29 0.13 2.25 2.04 -1.33 -0.14 117.51 122.67 1xfr h ILE 93 Ca 0.36 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1xfr h ILE 93 Cb 0.18 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1xfr h ILE 93 CO -0.18 0.55 -0.06 0.58 0.00 0.00 0.00 178.15 179.04 1xfr h VAL 94 N 0.59 0.00 -1.05 1.67 2.07 -1.13 -1.55 116.25 116.87 1xfr h VAL 94 Ca 0.03 -0.27 0.28 0.00 0.82 0.00 0.00 66.70 67.56 1xfr h VAL 94 Cb 1.07 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.72 1xfr h VAL 94 CO 0.11 0.00 0.64 -0.74 0.02 0.00 0.00 177.57 177.60 1xfr h HIS 95 N -0.45 0.81 0.25 1.57 -0.00 0.01 -0.07 115.15 117.28 1xfr h HIS 95 Ca -0.02 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1xfr h HIS 95 Cb 0.14 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1xfr h HIS 95 CO 0.04 0.01 -0.14 0.78 -0.00 0.00 0.00 177.93 178.62 1xfr h GLY 96 N 0.43 -0.51 1.17 5.26 0.00 -1.06 -3.18 103.07 105.19 1xfr h GLY 96 Ca 0.65 0.20 0.09 0.00 0.00 0.00 0.00 47.33 48.28 1xfr h GLY 96 CO -0.41 -0.18 0.32 0.00 0.00 0.00 0.00 176.54 176.27 1xfr h GLU 98 N 0.00 0.00 0.00 0.00 5.08 -1.02 -0.81 114.58 117.83 1xfr h GLU 98 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xfr h GLU 98 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1xfr h GLU 98 CO -0.00 0.00 -0.65 0.36 -1.00 0.00 0.00 179.01 177.72 1xfr n LYS 99 N -4.05 2.56 0.12 2.33 0.00 -0.88 -4.62 118.16 113.63 1xfr n LYS 99 Ca 0.18 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.59 1xfr n LYS 99 Cb 1.00 -0.82 0.48 0.00 -0.00 0.00 0.00 35.03 35.68 1xfr n LYS 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1xfr n SER 100 N -1.45 0.51 -4.27 -5.58 7.64 -0.23 -4.48 113.62 105.76 1xfr n SER 100 Ca 0.00 0.69 -0.36 0.00 1.01 0.00 0.00 58.87 60.21 1xfr n SER 100 Cb 0.31 -0.77 -0.13 0.00 -1.01 0.00 0.00 64.21 62.60 1xfr n SER 100 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xfr s THR 101 N -3.38 3.42 0.30 0.44 2.01 -0.31 -4.94 115.64 113.18 1xfr s THR 101 Ca 0.01 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 1xfr s THR 101 Cb 0.07 -2.76 -0.10 0.00 0.01 0.00 0.00 72.50 69.72 1xfr s THR 101 CO 0.25 0.12 1.13 -2.16 -0.69 0.00 0.00 174.62 173.28 1xfr s PRO 102 N 1.41 4.54 0.21 4.92 0.04 -1.26 -4.87 135.00 139.98 1xfr s PRO 102 Ca 0.01 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 1xfr s PRO 102 Cb -0.17 -3.11 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1xfr s PRO 102 CO -0.01 0.10 0.60 0.00 0.04 0.00 0.00 177.00 177.73 1xfr s ALA 103 N -1.20 -1.20 1.07 8.56 0.00 -1.26 -5.00 121.76 122.74 1xfr s ALA 103 Ca 0.47 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1xfr s ALA 103 Cb -0.33 0.86 0.23 0.00 0.00 0.00 0.00 23.12 23.89 1xfr s ALA 103 CO 0.42 -0.85 1.05 0.27 0.00 0.00 0.00 175.76 176.65 1xfr n ASN 104 N -0.38 -0.91 0.00 0.00 6.94 -1.26 -4.88 115.26 114.77 1xfr n ASN 104 Ca -0.10 0.08 0.02 0.00 -0.02 0.00 0.00 54.58 54.55 1xfr n ASN 104 Cb 0.62 -1.35 0.12 0.00 -2.36 0.00 0.00 39.78 36.82 1xfr n ASN 104 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1xfr n ASP 105 N -4.61 0.00 -4.56 0.53 -0.08 -1.26 -4.52 116.55 102.05 1xfr n ASP 105 Ca 0.07 -0.08 -0.32 0.00 -1.51 0.00 0.00 54.79 52.95 1xfr n ASP 105 Cb 0.53 -0.04 -0.04 0.00 2.34 0.00 0.00 41.12 43.91 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 -2.08 5.48 0.54 1.67 -1.08 -1.26 -4.84 116.67 115.10 1xfr s ASP 106 Ca 0.06 -0.71 0.34 0.00 -0.52 0.00 0.00 52.55 51.71 1xfr s ASP 106 Cb 0.03 -2.56 1.51 0.00 -1.46 0.00 0.00 42.92 40.44 1xfr s ASP 106 CO 0.05 -2.41 1.84 0.11 0.52 0.00 0.00 175.17 175.29 1xfr h LYS 107 N 11.35 0.01 0.70 4.34 6.56 -1.98 0.64 116.57 138.19 1xfr h LYS 107 Ca 0.06 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.62 1xfr h LYS 107 Cb 1.03 -0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.69 1xfr h LYS 107 CO 1.26 0.01 -0.34 0.00 -2.06 0.00 0.00 179.45 178.32 1xfr h ILE 109 N -0.98 1.23 0.26 0.00 2.04 -1.24 -0.43 117.51 118.39 1xfr h ILE 109 Ca -0.10 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1xfr h ILE 109 Cb 0.73 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1xfr h ILE 109 CO 0.16 0.28 -0.47 -0.25 0.00 0.00 0.00 178.15 177.88 1xfr h TRP 110 N 0.60 -1.31 -0.26 1.37 7.01 -1.07 -0.81 115.95 121.49 1xfr h TRP 110 Ca 0.14 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1xfr h TRP 110 Cb 0.31 0.54 -0.01 0.00 -2.10 0.00 0.00 29.16 27.89 1xfr h TRP 110 CO 0.02 -0.59 0.03 1.15 -2.79 0.00 0.00 178.44 176.26 1xfr h THR 111 N -0.80 1.14 -0.25 2.65 2.02 -0.98 0.91 112.91 117.60 1xfr h THR 111 Ca -0.01 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.69 1xfr h THR 111 Cb 0.76 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 68.02 1xfr h THR 111 CO -0.18 0.19 -0.27 0.25 0.37 0.00 0.00 175.52 175.87 1xfr h LEU 112 N 0.37 -0.88 -0.14 2.58 6.46 -0.81 0.11 115.31 123.00 1xfr h LEU 112 Ca 0.09 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1xfr h LEU 112 Cb 0.20 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1xfr h LEU 112 CO 0.00 -0.30 0.06 1.23 -0.62 0.00 0.00 178.44 178.81 1xfr h GLY 113 N -0.28 0.18 0.75 3.75 0.00 0.58 -0.21 103.07 107.84 1xfr h GLY 113 Ca 0.14 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1xfr h GLY 113 CO -0.41 0.03 -0.02 -2.08 0.00 0.00 0.00 176.54 174.07 1xfr h VAL 114 N 0.14 0.88 -0.84 4.60 2.07 -0.69 -1.34 116.25 121.06 1xfr h VAL 114 Ca 0.06 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1xfr h VAL 114 Cb 0.02 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1xfr h VAL 114 CO -0.05 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.00 1xfr h ALA 115 N 1.13 1.08 -0.16 1.67 0.00 -0.62 -1.75 119.26 120.60 1xfr h ALA 115 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xfr h ALA 115 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xfr h ALA 115 CO -0.13 0.59 0.01 1.15 0.00 0.00 0.00 179.25 180.87 1xfr h THR 116 N 1.18 1.24 -0.07 0.00 2.02 -0.55 0.13 112.91 116.86 1xfr h THR 116 Ca 0.30 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1xfr h THR 116 Cb 0.04 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1xfr h THR 116 CO -0.05 0.24 0.03 0.00 0.37 0.00 0.00 175.52 176.12 1xfr h PHE 118 N -0.04 0.46 -0.36 0.00 3.57 -1.22 -2.06 116.94 117.30 1xfr h PHE 118 Ca 0.02 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.64 1xfr h PHE 118 Cb 0.16 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 1xfr h PHE 118 CO -0.02 0.09 -0.25 -0.22 -2.23 0.00 0.00 178.31 175.67 1xfr h LYS 119 N 0.44 -0.20 -0.19 1.11 3.64 -0.58 -0.16 116.57 120.63 1xfr h LYS 119 Ca 0.36 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1xfr h LYS 119 Cb 0.50 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1xfr h LYS 119 CO -0.36 -0.13 0.14 0.00 -2.27 0.00 0.00 179.45 176.83 1xfr h ALA 120 N 0.92 2.11 -0.13 5.00 0.00 -1.26 -0.61 119.26 125.29 1xfr h ALA 120 Ca 0.17 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1xfr h ALA 120 Cb 0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xfr h ALA 120 CO -0.48 -0.16 -0.64 0.93 0.00 0.00 0.00 179.25 178.90 1xfr h GLU 121 N 0.05 0.49 -0.80 0.00 4.39 -0.85 -2.87 114.58 114.99 1xfr h GLU 121 Ca 0.09 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.47 1xfr h GLU 121 Cb 0.28 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 1xfr h GLU 121 CO -0.01 0.97 0.51 0.82 -1.16 0.00 0.00 179.01 180.14 1xfr h ILE 122 N 0.36 1.12 -0.01 3.13 1.08 -0.34 0.17 117.51 123.02 1xfr h ILE 122 Ca -0.01 -0.34 0.01 0.00 -0.39 0.00 0.00 64.86 64.12 1xfr h ILE 122 Cb 1.20 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1xfr h ILE 122 CO 0.12 0.18 -0.02 0.45 -0.69 0.00 0.00 178.15 178.19 1xfr h HIS 123 N 0.99 -0.05 -0.50 1.37 3.86 -1.46 -1.26 115.15 118.11 1xfr h HIS 123 Ca 0.32 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.48 1xfr h HIS 123 Cb 0.01 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1xfr h HIS 123 CO -0.03 -0.03 0.09 0.87 0.86 0.00 0.00 177.93 179.69 1xfr h LYS 124 N -0.03 0.77 0.00 2.45 1.57 -1.18 -1.33 116.57 118.82 1xfr h LYS 124 Ca 0.01 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1xfr h LYS 124 Cb 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1xfr h LYS 124 CO -0.03 0.72 0.00 1.28 -0.57 0.00 0.00 179.45 180.85 1xfr n LEU 125 N -4.27 0.00 -2.65 2.94 4.77 -0.01 -4.89 117.00 112.89 1xfr n LEU 125 Ca 0.03 0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 55.95 1xfr n LEU 125 Cb 0.24 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1xfr n LEU 125 CO 0.40 -0.04 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.06 1xfr n ASN 126 N -1.14 -5.71 -1.07 -1.43 5.15 -0.50 -4.88 115.26 105.67 1xfr n ASN 126 Ca 0.14 -0.10 0.08 0.00 -0.60 0.00 0.00 54.58 54.09 1xfr n ASN 126 Cb 0.13 -4.71 0.24 0.00 -0.53 0.00 0.00 39.78 34.91 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 -4.12 0.86 -0.59 1.20 8.01 -0.53 -4.83 117.44 117.43 1xfr n TRP 127 Ca -0.18 -0.38 0.00 0.00 -1.31 0.00 0.00 57.50 55.62 1xfr n TRP 127 Cb 0.65 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.87 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68