#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 0.00 -0.00 1.43 4.20 -1.93 -0.85 115.11 117.95 1xfr h GLN 2 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xfr h GLN 2 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1xfr h GLN 2 CO 0.00 0.00 -0.01 1.49 -0.67 0.00 0.00 178.83 179.64 1xfr h GLU 3 N 0.00 -0.01 -0.45 1.46 4.81 -2.01 -2.13 114.58 116.25 1xfr h GLU 3 Ca 0.31 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1xfr h GLU 3 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 1xfr h GLU 3 CO -0.00 -0.01 -0.07 -0.24 -0.73 0.00 0.00 179.01 177.96 1xfr h VAL 4 N -0.01 1.25 -0.57 0.32 3.04 -1.77 -3.12 116.25 115.39 1xfr h VAL 4 Ca 0.00 -1.10 0.09 0.00 -1.01 0.00 0.00 66.70 64.68 1xfr h VAL 4 Cb 0.01 0.98 -0.07 0.00 -2.01 0.00 0.00 31.29 30.20 1xfr h VAL 4 CO -0.01 0.38 0.18 -0.03 -1.01 0.00 0.00 177.57 177.08 1xfr h MET 5 N 0.72 0.33 -0.10 4.17 4.05 -1.06 0.26 114.93 123.30 1xfr h MET 5 Ca 0.13 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1xfr h MET 5 Cb 0.54 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1xfr h MET 5 CO 0.03 0.22 0.06 0.87 0.23 0.00 0.00 176.91 178.32 1xfr h LYS 6 N 0.35 0.14 -0.39 0.39 1.57 -1.35 -2.14 116.57 115.14 1xfr h LYS 6 Ca 0.29 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1xfr h LYS 6 Cb 0.37 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1xfr h LYS 6 CO -0.32 0.14 0.11 -0.97 -0.57 0.00 0.00 179.45 177.84 1xfr h ASN 7 N 0.10 0.53 0.55 0.86 -1.24 -0.99 0.14 115.58 115.53 1xfr h ASN 7 Ca 0.04 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 1xfr h ASN 7 Cb 0.04 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1xfr h ASN 7 CO -0.01 0.52 -0.30 -0.07 -1.29 0.00 0.00 177.43 176.28 1xfr h LEU 8 N 0.57 -0.74 -1.80 0.34 3.38 -0.52 -1.52 115.31 115.02 1xfr h LEU 8 Ca 0.13 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1xfr h LEU 8 Cb 0.20 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1xfr h LEU 8 CO -0.01 -0.49 0.20 0.28 0.09 0.00 0.00 178.44 178.51 1xfr h SER 9 N -0.79 0.22 -0.00 -0.43 0.02 -0.62 0.88 113.55 112.83 1xfr h SER 9 Ca -0.07 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1xfr h SER 9 Cb 0.63 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 1xfr h SER 9 CO 0.10 0.15 -0.00 0.25 -1.14 0.00 0.00 176.83 176.19 1xfr h LEU 10 N 0.26 0.01 -0.42 5.07 5.85 -0.63 -2.11 115.31 123.34 1xfr h LEU 10 Ca 0.12 -0.51 -0.16 0.00 0.84 0.00 0.00 57.88 58.17 1xfr h LEU 10 Cb 0.17 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1xfr h LEU 10 CO -0.02 0.52 -0.76 0.78 -0.34 0.00 0.00 178.44 178.61 1xfr h ASN 11 N -0.50 0.00 0.11 1.25 2.35 -0.82 -2.37 115.58 115.60 1xfr h ASN 11 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1xfr h ASN 11 Cb 0.51 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1xfr h ASN 11 CO 0.00 0.76 -0.19 0.15 -1.65 0.00 0.00 177.43 176.50 1xfr h PHE 12 N 0.00 -0.50 0.00 1.19 3.57 -0.88 -2.60 116.94 117.72 1xfr h PHE 12 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xfr h PHE 12 Cb 1.38 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.33 1xfr h PHE 12 CO 0.00 -0.28 0.00 0.41 -2.23 0.00 0.00 178.31 176.21 1xfr n GLY 13 N -1.32 -0.34 0.34 2.40 0.00 -0.80 -3.68 105.19 101.80 1xfr n GLY 13 Ca -0.07 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.52 -0.72 1.61 1.79 -1.03 -2.03 116.57 116.70 1xfr h LYS 14 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1xfr h LYS 14 Cb 0.02 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1xfr h LYS 14 CO 0.00 0.35 0.00 0.00 -1.08 0.00 0.00 179.45 178.72 1xfr n ALA 15 N -2.49 2.45 0.11 3.86 0.00 -1.24 -4.56 120.51 118.64 1xfr n ALA 15 Ca 0.09 -1.30 -0.13 0.00 0.00 0.00 0.00 53.44 52.10 1xfr n ALA 15 Cb 0.26 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 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 4.23 -0.87 -0.74 0.00 7.12 -1.61 -0.84 115.31 122.60 1xfr h LEU 16 Ca 0.00 0.10 -0.13 0.00 0.13 0.00 0.00 57.88 57.98 1xfr h LEU 16 Cb 1.01 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 41.46 1xfr h LEU 16 CO 0.02 -0.39 -0.63 -0.78 -0.13 0.00 0.00 178.44 176.53 1xfr h ASP 17 N -0.52 0.02 0.79 1.25 3.58 -1.80 0.14 116.42 119.88 1xfr h ASP 17 Ca 0.03 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 1xfr h ASP 17 Cb 0.55 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 1xfr h ASP 17 CO -0.18 0.64 -0.47 -0.33 -2.88 0.00 0.00 179.24 176.02 1xfr h GLU 18 N 0.01 -1.14 -0.98 0.28 4.39 -1.82 -1.97 114.58 113.36 1xfr h GLU 18 Ca -0.01 0.08 0.12 0.00 0.34 0.00 0.00 59.36 59.90 1xfr h GLU 18 Cb 1.11 0.26 -0.09 0.00 -0.10 0.00 0.00 28.75 29.93 1xfr h GLU 18 CO 0.08 -0.76 0.60 0.00 -1.16 0.00 0.00 179.01 177.78 1xfr h LYS 20 N 0.94 -0.86 -0.16 0.00 1.57 -0.59 -0.69 116.57 116.78 1xfr h LYS 20 Ca 0.49 0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 59.21 1xfr h LYS 20 Cb 0.52 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1xfr h LYS 20 CO -0.28 -0.57 -0.44 0.87 -0.57 0.00 0.00 179.45 178.46 1xfr h LYS 21 N -0.89 0.37 -0.37 3.15 1.57 -0.53 0.23 116.57 120.10 1xfr h LYS 21 Ca -0.04 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1xfr h LYS 21 Cb 0.82 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1xfr h LYS 21 CO -0.15 0.75 0.25 0.93 -0.57 0.00 0.00 179.45 180.65 1xfr h GLU 22 N 0.31 0.43 -0.08 3.15 5.08 -0.74 -3.00 114.58 119.72 1xfr h GLU 22 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xfr h GLU 22 Cb 0.90 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1xfr h GLU 22 CO 0.07 0.29 0.00 -1.33 -1.00 0.00 0.00 179.01 177.04 1xfr n MET 23 N -4.48 0.95 -3.47 2.33 2.81 -0.29 -5.02 117.12 109.95 1xfr n MET 23 Ca 0.03 -1.24 -0.35 0.00 -1.81 0.00 0.00 57.70 54.33 1xfr n MET 23 Cb 0.11 -1.16 0.03 0.00 -0.71 0.00 0.00 33.22 31.49 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 0.35 -4.66 -4.36 2.03 -1.04 -0.27 -5.04 114.28 101.29 1xfr n THR 24 Ca 0.05 0.15 -0.27 0.00 -2.04 0.00 0.00 64.05 61.95 1xfr n THR 24 Cb 0.24 -3.90 -0.11 0.00 -1.82 0.00 0.00 70.33 64.74 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 -2.73 2.68 0.38 -4.42 1.43 0.64 -5.01 118.68 111.65 1xfr s LEU 25 Ca 0.33 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1xfr s LEU 25 Cb -0.04 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 1xfr s LEU 25 CO 0.87 0.11 0.60 0.42 0.23 0.00 0.00 176.35 178.58 1xfr s THR 26 N -1.70 4.81 -0.54 5.49 -4.23 -1.26 -4.54 115.64 113.67 1xfr s THR 26 Ca 0.23 -0.42 0.21 0.00 -1.18 0.00 0.00 61.69 60.53 1xfr s THR 26 Cb -0.08 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.20 1xfr s THR 26 CO 0.12 -0.53 1.63 -0.90 -0.54 0.00 0.00 174.62 174.40 1xfr n ASP 27 N -1.90 0.52 -0.20 3.99 5.75 -1.26 -2.40 116.55 121.04 1xfr n ASP 27 Ca -0.03 0.65 0.19 0.00 -0.01 0.00 0.00 54.79 55.59 1xfr n ASP 27 Cb 0.56 -0.75 0.53 0.00 -1.03 0.00 0.00 41.12 40.43 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 2.24 2.23 0.00 2.12 0.00 -2.02 0.19 119.26 124.02 1xfr h ALA 28 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xfr h ALA 28 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xfr h ALA 28 CO 0.00 -0.48 0.00 0.44 0.00 0.00 0.00 179.25 179.21 1xfr n ILE 29 N -4.48 0.51 -0.28 0.00 -5.35 -1.01 -3.09 119.36 105.66 1xfr n ILE 29 Ca 0.17 -0.23 -0.05 0.00 -0.27 0.00 0.00 62.75 62.37 1xfr n ILE 29 Cb 0.66 -0.58 0.06 0.00 -1.74 0.00 0.00 39.64 38.04 1xfr n ILE 29 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1xfr h ASN 30 N 0.00 1.00 -0.52 7.28 -1.24 -1.12 -1.65 115.58 119.33 1xfr h ASN 30 Ca 0.00 -0.13 0.05 0.00 0.71 0.00 0.00 56.30 56.93 1xfr h ASN 30 Cb 0.69 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 39.44 1xfr h ASN 30 CO 0.00 0.85 0.24 -0.08 -1.29 0.00 0.00 177.43 177.15 1xfr h GLU 31 N 1.08 0.46 0.00 6.67 4.57 -1.57 0.19 114.58 125.98 1xfr h GLU 31 Ca 0.27 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1xfr h GLU 31 Cb 0.11 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1xfr h GLU 31 CO -0.03 0.30 0.00 -0.25 -1.18 0.00 0.00 179.01 177.85 1xfr n ASP 32 N -4.91 0.72 -0.12 1.04 8.00 -0.83 -0.22 116.55 120.23 1xfr n ASP 32 Ca 0.05 0.67 -0.15 0.00 0.71 0.00 0.00 54.79 56.08 1xfr n ASP 32 Cb 0.16 -0.83 -0.13 0.00 -0.02 0.00 0.00 41.12 40.30 1xfr n ASP 32 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xfr n PHE 33 N -2.29 0.00 0.14 1.24 3.72 -0.68 -3.50 117.46 116.10 1xfr n PHE 33 Ca 0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.36 1xfr n PHE 33 Cb 0.24 -0.98 -0.03 0.00 -0.94 0.00 0.00 39.48 37.77 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 0.00 -0.36 0.00 1.38 3.20 -0.48 -3.20 116.97 117.50 1xfr h TYR 34 Ca -0.56 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.31 1xfr h TYR 34 Cb 2.00 0.12 0.00 0.00 1.54 0.00 0.00 36.73 40.39 1xfr h TYR 34 CO 0.02 -0.23 0.00 0.09 -1.64 0.00 0.00 178.16 176.40 1xfr n ASN 35 N -3.60 0.22 -0.27 -2.11 3.02 0.69 -3.82 115.26 109.39 1xfr n ASN 35 Ca -0.05 -1.72 0.11 0.00 -0.03 0.00 0.00 54.58 52.89 1xfr n ASN 35 Cb 0.15 -0.11 0.36 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.04 0.86 -2.26 3.10 3.57 -1.59 -2.92 116.94 117.74 1xfr h PHE 36 Ca 0.00 0.02 -0.79 0.00 3.53 0.00 0.00 57.97 60.73 1xfr h PHE 36 Cb 0.11 -0.27 -0.24 0.00 2.79 0.00 0.00 35.95 38.34 1xfr h PHE 36 CO 0.00 0.33 1.26 0.91 -2.23 0.00 0.00 178.31 178.59 1xfr n TRP 37 N -4.56 2.53 -4.27 0.41 5.03 -1.25 -4.91 117.44 110.42 1xfr n TRP 37 Ca 0.17 -2.63 -0.27 0.00 3.03 0.00 0.00 57.50 57.80 1xfr n TRP 37 Cb 0.43 -1.42 -0.06 0.00 -1.03 0.00 0.00 31.31 29.22 1xfr n TRP 37 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1xfr s LYS 38 N -2.49 2.20 -0.78 -0.99 3.01 -1.10 -5.08 119.74 114.51 1xfr s LYS 38 Ca 0.37 -2.03 -0.01 0.00 -1.01 0.00 0.00 55.97 53.29 1xfr s LYS 38 Cb 0.11 -1.87 0.37 0.00 -1.01 0.00 0.00 37.83 35.42 1xfr s LYS 38 CO 0.00 -0.27 1.88 -0.85 0.51 0.00 0.00 175.35 176.62 1xfr n GLU 39 N -1.33 2.86 0.00 1.68 0.28 -1.26 -4.32 120.64 118.55 1xfr n GLU 39 Ca -0.06 -3.67 0.00 0.00 -0.16 0.00 0.00 57.16 53.28 1xfr n GLU 39 Cb 0.65 -2.27 0.00 0.00 1.43 0.00 0.00 31.44 31.25 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 -0.55 0.80 3.85 -1.84 0.00 -1.26 -5.14 105.19 101.05 1xfr n GLY 40 Ca 0.52 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.17 3.51 -0.06 1.61 6.14 -1.26 -5.11 117.35 122.00 1xfr s TYR 41 Ca 0.00 1.10 0.06 0.00 0.64 0.00 0.00 57.07 58.86 1xfr s TYR 41 Cb 0.00 -2.42 -0.01 0.00 0.42 0.00 0.00 41.96 39.95 1xfr s TYR 41 CO 0.00 0.29 -0.24 -1.21 0.64 0.00 0.00 175.55 175.04 1xfr s GLU 42 N -2.43 2.54 -0.33 4.97 2.02 -1.26 -5.02 118.70 119.19 1xfr s GLU 42 Ca 0.45 -0.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.55 1xfr s GLU 42 Cb -0.13 -2.11 0.06 0.00 0.10 0.00 0.00 34.13 32.05 1xfr s GLU 42 CO 0.20 0.33 0.06 0.42 0.02 0.00 0.00 175.26 176.28 1xfr s ILE 43 N -0.05 3.16 0.00 -1.63 1.01 -1.26 -4.92 121.20 117.50 1xfr s ILE 43 Ca -0.06 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1xfr s ILE 43 Cb -0.14 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1xfr s ILE 43 CO 0.04 -0.24 0.00 0.29 0.00 0.00 0.00 174.94 175.03 1xfr n LYS 44 N 4.64 3.26 -1.91 2.79 4.01 -1.26 -5.04 118.16 124.66 1xfr n LYS 44 Ca -0.11 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.27 1xfr n LYS 44 Cb 0.43 -0.49 -0.03 0.00 -0.51 0.00 0.00 35.03 34.43 1xfr n LYS 44 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1xfr s ASN 45 N -0.74 6.59 0.58 4.39 2.47 -1.26 -4.86 114.94 122.12 1xfr s ASN 45 Ca 0.00 2.44 0.28 0.00 0.42 0.00 0.00 52.86 56.00 1xfr s ASN 45 Cb 0.00 -2.55 1.68 0.00 -1.45 0.00 0.00 41.25 38.93 1xfr s ASN 45 CO 0.00 -0.93 2.15 -0.09 -3.72 0.00 0.00 177.10 174.51 1xfr h ARG 46 N 9.12 0.00 0.00 0.43 2.43 -1.96 -1.34 114.38 123.06 1xfr h ARG 46 Ca -0.43 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1xfr h ARG 46 Cb 1.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1xfr h ARG 46 CO 0.94 0.00 -0.01 0.93 -1.51 0.00 0.00 179.97 180.32 1xfr h GLU 47 N 0.00 0.00 -0.04 0.20 5.08 -1.95 -2.48 114.58 115.39 1xfr h GLU 47 Ca 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1xfr h GLU 47 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1xfr h GLU 47 CO -0.00 0.01 -0.10 1.79 -1.00 0.00 0.00 179.01 179.70 1xfr h THR 48 N 0.00 1.44 -0.52 1.13 1.35 -1.62 -3.15 112.91 111.54 1xfr h THR 48 Ca -0.00 -1.46 0.05 0.00 -0.55 0.00 0.00 66.41 64.45 1xfr h THR 48 Cb 0.26 2.31 -0.05 0.00 -1.73 0.00 0.00 68.15 68.94 1xfr h THR 48 CO 0.00 0.40 0.24 1.23 -0.25 0.00 0.00 175.52 177.14 1xfr h GLY 49 N -0.39 0.72 1.04 5.82 0.00 -1.58 -1.46 103.07 107.22 1xfr h GLY 49 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1xfr h GLY 49 CO 0.02 0.08 0.33 0.00 0.00 0.00 0.00 176.54 176.97 1xfr h ALA 51 N 1.17 0.81 -0.60 0.00 0.00 -1.25 -1.91 119.26 117.49 1xfr h ALA 51 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xfr h ALA 51 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xfr h ALA 51 CO -0.02 0.04 0.39 0.82 0.00 0.00 0.00 179.25 180.48 1xfr h ILE 52 N 0.67 1.16 -0.02 0.00 2.04 -0.86 0.25 117.51 120.75 1xfr h ILE 52 Ca 0.27 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1xfr h ILE 52 Cb 0.12 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1xfr h ILE 52 CO -0.15 0.16 0.01 -0.03 0.00 0.00 0.00 178.15 178.14 1xfr h MET 53 N 0.81 0.02 -0.74 2.37 4.05 -1.23 -0.59 114.93 119.62 1xfr h MET 53 Ca 0.22 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.70 1xfr h MET 53 Cb -0.07 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.67 1xfr h MET 53 CO -0.04 0.01 0.43 0.00 0.23 0.00 0.00 176.91 177.54 1xfr h LEU 55 N 0.79 -0.86 -0.69 0.00 3.38 -0.79 -1.01 115.31 116.12 1xfr h LEU 55 Ca 0.33 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.51 1xfr h LEU 55 Cb 0.20 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1xfr h LEU 55 CO -0.19 -0.49 0.14 0.28 0.09 0.00 0.00 178.44 178.27 1xfr h SER 56 N -0.76 -0.03 -0.03 -0.43 0.02 -0.26 0.12 113.55 112.18 1xfr h SER 56 Ca -0.04 0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1xfr h SER 56 Cb 0.65 0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.33 1xfr h SER 56 CO 0.00 -0.04 -0.38 0.74 -1.14 0.00 0.00 176.83 176.02 1xfr h THR 57 N 0.25 0.21 -0.63 -2.27 2.02 -0.72 -0.09 112.91 111.68 1xfr h THR 57 Ca 0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.55 1xfr h THR 57 Cb 0.63 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1xfr h THR 57 CO -0.49 0.00 0.33 0.11 0.37 0.00 0.00 175.52 175.84 1xfr h LYS 58 N -0.52 0.87 0.00 6.66 1.57 0.55 0.83 116.57 126.53 1xfr h LYS 58 Ca 0.06 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1xfr h LYS 58 Cb 0.61 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1xfr h LYS 58 CO -0.31 0.65 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.10 1xfr h LEU 59 N 0.87 0.00 -2.19 2.94 -0.00 -1.10 -3.48 115.31 112.35 1xfr h LEU 59 Ca 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1xfr h LEU 59 Cb 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.59 1xfr h LEU 59 CO -0.03 0.05 -1.31 -3.20 -0.00 0.00 0.00 178.44 173.94 1xfr n ASN 60 N -3.29 -0.64 0.00 -0.43 5.15 0.28 -5.06 115.26 111.28 1xfr n ASN 60 Ca -0.01 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1xfr n ASN 60 Cb 0.21 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.00 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 1.39 0.00 -3.71 1.20 2.81 -0.07 -4.51 117.12 114.24 1xfr n MET 61 Ca -0.35 -0.14 -0.37 0.00 -1.81 0.00 0.00 57.70 55.03 1xfr n MET 61 Cb 0.54 -0.29 -0.11 0.00 -0.71 0.00 0.00 33.22 32.65 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 0.00 3.86 1.13 4.03 1.43 -1.26 -0.37 118.68 127.50 1xfr s LEU 62 Ca 0.00 -0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 1xfr s LEU 62 Cb 0.00 -2.04 0.26 0.00 0.03 0.00 0.00 46.19 44.44 1xfr s LEU 62 CO 0.00 0.01 1.05 -0.62 0.23 0.00 0.00 176.35 177.02 1xfr s ASP 63 N 1.36 1.37 0.00 2.29 -1.08 -1.26 -4.59 116.67 114.76 1xfr s ASP 63 Ca 0.06 1.24 0.11 0.00 -0.52 0.00 0.00 52.55 53.45 1xfr s ASP 63 Cb -0.15 -1.92 0.53 0.00 -1.46 0.00 0.00 42.92 39.92 1xfr s ASP 63 CO 0.06 -3.92 1.31 -0.81 0.52 0.00 0.00 175.17 172.33 1xfr n PRO 64 N -4.70 0.09 0.00 4.34 -0.04 -1.26 -0.62 135.00 132.81 1xfr n PRO 64 Ca 0.05 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1xfr n PRO 64 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.39 0.22 -1.89 0.54 1.02 -1.26 -5.00 120.64 112.88 1xfr n GLU 65 Ca 0.04 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1xfr n GLU 65 Cb 0.11 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1xfr n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfr n GLY 66 N 1.42 0.44 2.55 0.62 0.00 0.21 -5.01 105.19 105.42 1xfr n GLY 66 Ca 0.02 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 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 1.91 2.59 -2.11 1.61 3.02 -1.26 -4.83 115.26 116.19 1xfr n ASN 67 Ca 0.00 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 1xfr n ASN 67 Cb 0.47 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 0.01 -5.94 -4.56 3.41 -0.00 -1.26 -4.76 117.00 103.90 1xfr n LEU 68 Ca 0.28 2.57 -0.40 0.00 -0.00 0.00 0.00 56.01 58.46 1xfr n LEU 68 Cb 0.54 -2.94 -0.03 0.00 -0.00 0.00 0.00 43.42 40.99 1xfr n LEU 68 CO 0.27 -2.32 1.45 -2.28 -0.00 0.00 0.00 177.39 174.51 1xfr s HIS 69 N -0.51 2.44 0.34 1.96 5.65 0.50 -4.36 115.29 121.30 1xfr s HIS 69 Ca 0.00 -0.63 0.12 0.00 0.25 0.00 0.00 55.06 54.80 1xfr s HIS 69 Cb 0.00 -4.62 1.05 0.00 -1.18 0.00 0.00 32.58 27.83 1xfr s HIS 69 CO 0.00 -1.93 1.61 0.45 -0.65 0.00 0.00 174.74 174.22 1xfr h HIS 70 N 10.00 0.60 0.00 3.88 -0.00 -1.89 0.10 115.15 127.84 1xfr h HIS 70 Ca 0.16 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1xfr h HIS 70 Cb 1.01 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 1xfr h HIS 70 CO 1.26 -0.35 0.00 0.41 -0.00 0.00 0.00 177.93 179.26 1xfr n GLY 71 N -1.34 -2.68 0.36 2.45 0.00 -1.26 -2.31 105.19 100.42 1xfr n GLY 71 Ca 0.31 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.43 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 0.75 0.08 1.61 4.21 -1.77 -1.00 115.58 119.46 1xfr h ASN 72 Ca 0.00 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.54 1xfr h ASN 72 Cb 0.00 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 1xfr h ASN 72 CO 0.00 0.46 -0.21 0.00 -1.29 0.00 0.00 177.43 176.39 1xfr h ALA 73 N 1.57 -0.33 -0.42 -0.83 0.00 -0.93 -1.93 119.26 116.39 1xfr h ALA 73 Ca 0.37 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1xfr h ALA 73 Cb 0.35 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1xfr h ALA 73 CO -0.15 -0.73 -0.07 1.98 0.00 0.00 0.00 179.25 180.29 1xfr h MET 74 N -0.38 0.71 0.33 0.00 1.85 -0.89 -2.88 114.93 113.67 1xfr h MET 74 Ca 0.03 -0.21 -0.02 0.00 -0.61 0.00 0.00 59.70 58.90 1xfr h MET 74 Cb 0.41 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.37 1xfr h MET 74 CO -0.13 0.77 -0.16 1.49 -0.40 0.00 0.00 176.91 178.48 1xfr h GLU 75 N 0.66 -0.43 -1.00 0.39 4.81 -1.05 -1.09 114.58 116.87 1xfr h GLU 75 Ca 0.12 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.52 1xfr h GLU 75 Cb 0.51 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.90 1xfr h GLU 75 CO 0.03 -0.27 0.63 0.35 -0.73 0.00 0.00 179.01 179.01 1xfr h PHE 76 N -0.46 1.11 0.19 0.92 3.57 -1.27 0.21 116.94 121.21 1xfr h PHE 76 Ca -0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1xfr h PHE 76 Cb 0.35 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1xfr h PHE 76 CO -0.05 0.39 -0.11 0.00 -2.23 0.00 0.00 178.31 176.31 1xfr h ALA 77 N 1.57 -1.00 -0.57 2.41 0.00 -1.25 -3.08 119.26 117.34 1xfr h ALA 77 Ca 0.52 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.43 1xfr h ALA 77 Cb 0.61 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1xfr h ALA 77 CO -0.29 -0.99 0.38 0.87 0.00 0.00 0.00 179.25 179.21 1xfr h LYS 78 N -0.28 0.50 -0.81 0.00 6.56 -0.63 -1.29 116.57 120.61 1xfr h LYS 78 Ca -0.03 -0.03 0.14 0.00 -1.06 0.00 0.00 60.65 59.67 1xfr h LYS 78 Cb 0.22 -0.11 -0.09 0.00 -0.57 0.00 0.00 32.23 31.68 1xfr h LYS 78 CO 0.03 0.33 0.40 -0.22 -2.06 0.00 0.00 179.45 177.93 1xfr h LYS 79 N 0.51 0.57 -0.04 3.15 3.64 -0.61 -0.15 116.57 123.65 1xfr h LYS 79 Ca 0.25 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1xfr h LYS 79 Cb 0.32 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1xfr h LYS 79 CO -0.07 0.38 0.00 0.72 -2.27 0.00 0.00 179.45 178.21 1xfr n HIS 80 N -4.89 0.05 -0.70 1.91 8.25 -0.75 -4.88 115.22 114.20 1xfr n HIS 80 Ca 0.16 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1xfr n HIS 80 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 1.01 0.83 3.70 -1.41 0.00 -0.07 -4.85 105.19 104.41 1xfr n GLY 81 Ca 0.18 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1xfr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr n ALA 82 N -0.62 1.09 -1.59 4.61 0.00 -0.56 -4.88 120.51 118.55 1xfr n ALA 82 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 1xfr n ALA 82 Cb 0.09 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.34 1xfr n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xfr s ASP 83 N -0.94 5.03 0.01 0.00 1.01 -1.26 -4.52 116.67 116.01 1xfr s ASP 83 Ca 0.71 1.46 -0.26 0.00 0.71 0.00 0.00 52.55 55.16 1xfr s ASP 83 Cb -0.44 -2.27 -0.15 0.00 1.01 0.00 0.00 42.92 41.07 1xfr s ASP 83 CO 0.50 -1.64 1.13 -0.08 0.21 0.00 0.00 175.17 175.29 1xfr h GLU 84 N -0.86 -0.83 -0.41 8.23 4.22 -2.00 -0.64 114.58 122.30 1xfr h GLU 84 Ca -0.45 0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.02 1xfr h GLU 84 Cb 1.24 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1xfr h GLU 84 CO 0.58 -0.52 0.17 1.15 -2.18 0.00 0.00 179.01 178.21 1xfr h THR 85 N -1.16 1.15 0.39 0.32 2.02 -1.99 -2.35 112.91 111.28 1xfr h THR 85 Ca -0.09 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1xfr h THR 85 Cb 0.69 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1xfr h THR 85 CO 0.14 0.18 -0.49 -0.03 0.37 0.00 0.00 175.52 175.70 1xfr h MET 86 N 0.57 -0.88 -0.24 6.66 1.85 -1.91 -0.48 114.93 120.50 1xfr h MET 86 Ca 0.14 0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.27 1xfr h MET 86 Cb 0.11 0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.33 1xfr h MET 86 CO -0.02 -0.59 0.05 0.00 -0.40 0.00 0.00 176.91 175.96 1xfr h ALA 87 N -0.70 1.64 0.03 0.39 0.00 -0.72 -0.43 119.26 119.48 1xfr h ALA 87 Ca -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xfr h ALA 87 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1xfr h ALA 87 CO -0.12 0.28 -0.06 0.37 0.00 0.00 0.00 179.25 179.71 1xfr h GLN 88 N 0.34 -0.12 0.04 0.00 5.75 -1.15 -2.87 115.11 117.10 1xfr h GLN 88 Ca 0.08 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1xfr h GLN 88 Cb 0.15 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 1xfr h GLN 88 CO -0.00 -0.08 -0.36 1.96 -2.65 0.00 0.00 178.83 177.70 1xfr h GLN 89 N -0.12 -0.52 -0.97 1.69 4.20 0.55 0.14 115.11 120.07 1xfr h GLN 89 Ca 0.01 0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.90 1xfr h GLN 89 Cb 0.13 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 27.95 1xfr h GLN 89 CO -0.04 -0.35 0.61 -0.07 -0.67 0.00 0.00 178.83 178.32 1xfr h LEU 90 N -0.54 0.82 -0.26 1.46 -0.00 -1.37 -0.94 115.31 114.47 1xfr h LEU 90 Ca 0.05 0.06 -0.21 0.00 -0.00 0.00 0.00 57.88 57.78 1xfr h LEU 90 Cb 0.61 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1xfr h LEU 90 CO -0.26 0.40 -0.74 0.40 -0.00 0.00 0.00 178.44 178.24 1xfr h ILE 91 N 0.86 1.31 -0.42 1.22 2.04 -1.14 0.43 117.51 121.80 1xfr h ILE 91 Ca 0.50 -2.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.34 1xfr h ILE 91 Cb 0.65 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1xfr h ILE 91 CO -0.27 0.62 0.15 -0.78 0.00 0.00 0.00 178.15 177.87 1xfr h ASP 92 N 0.47 0.54 0.27 1.72 3.58 0.32 0.29 116.42 123.61 1xfr h ASP 92 Ca -0.04 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1xfr h ASP 92 Cb 1.35 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1xfr h ASP 92 CO 0.15 0.51 -0.13 0.40 -2.88 0.00 0.00 179.24 177.29 1xfr h ILE 93 N 0.60 0.43 0.56 2.25 2.04 -1.19 -2.10 117.51 120.10 1xfr h ILE 93 Ca 0.14 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1xfr h ILE 93 Cb 0.16 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1xfr h ILE 93 CO -0.01 0.11 -0.35 0.58 0.00 0.00 0.00 178.15 178.48 1xfr h VAL 94 N -0.99 0.29 -0.91 1.67 2.07 -0.68 -1.72 116.25 115.98 1xfr h VAL 94 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1xfr h VAL 94 Cb 0.46 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1xfr h VAL 94 CO 0.06 0.00 0.59 -0.74 0.02 0.00 0.00 177.57 177.50 1xfr h HIS 95 N -0.86 0.99 -0.01 1.57 -0.00 -0.58 0.21 115.15 116.48 1xfr h HIS 95 Ca -0.07 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1xfr h HIS 95 Cb 0.70 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 1xfr h HIS 95 CO -0.10 0.46 0.00 0.41 -0.00 0.00 0.00 177.93 178.70 1xfr n GLY 96 N -1.40 0.93 0.00 5.26 0.00 -0.79 -3.13 105.19 106.06 1xfr n GLY 96 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 3.07 -1.34 0.87 114.58 117.18 1xfr h GLU 98 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xfr h GLU 98 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1xfr h GLU 98 CO 0.00 0.00 -0.37 0.36 -1.40 0.00 0.00 179.01 177.60 1xfr n LYS 99 N -3.27 2.56 -0.12 2.33 0.00 -1.26 -4.78 118.16 113.62 1xfr n LYS 99 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.34 1xfr n LYS 99 Cb 0.97 -0.69 -0.00 0.00 -0.00 0.00 0.00 35.03 35.31 1xfr n LYS 99 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1xfr h SER 100 N 0.00 0.43 -2.93 -5.58 0.02 -1.71 -3.41 113.55 100.36 1xfr h SER 100 Ca 0.00 -0.01 -0.56 0.00 -0.84 0.00 0.00 61.79 60.38 1xfr h SER 100 Cb 0.20 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1xfr h SER 100 CO 0.00 0.31 0.85 -0.89 -1.14 0.00 0.00 176.83 175.96 1xfr s THR 101 N -6.16 4.12 0.38 -2.27 2.01 0.27 -5.01 115.64 108.98 1xfr s THR 101 Ca -0.13 1.41 -0.25 0.00 0.31 0.00 0.00 61.69 63.03 1xfr s THR 101 Cb 0.10 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 1xfr s THR 101 CO 0.72 -0.07 1.03 -2.16 -0.69 0.00 0.00 174.62 173.45 1xfr s PRO 102 N 3.00 4.28 0.18 4.92 0.04 -1.26 -4.88 135.00 141.28 1xfr s PRO 102 Ca 0.58 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 63.08 1xfr s PRO 102 Cb -0.25 -2.63 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1xfr s PRO 102 CO 0.20 -0.04 0.31 0.00 0.04 0.00 0.00 177.00 177.51 1xfr n ALA 103 N 0.13 -0.50 -3.40 8.56 0.00 -1.26 -4.95 120.51 119.09 1xfr n ALA 103 Ca 0.04 -0.72 -0.26 0.00 0.00 0.00 0.00 53.44 52.50 1xfr n ALA 103 Cb 0.49 0.58 0.04 0.00 0.00 0.00 0.00 19.45 20.56 1xfr n ALA 103 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xfr n ASN 104 N -1.59 2.36 0.02 0.00 3.02 -1.26 -5.00 115.26 112.81 1xfr n ASN 104 Ca -0.02 -2.66 0.03 0.00 -0.03 0.00 0.00 54.58 51.89 1xfr n ASN 104 Cb 0.29 -0.26 0.13 0.00 -0.61 0.00 0.00 39.78 39.34 1xfr n ASN 104 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xfr n ASP 105 N -2.12 0.07 -4.56 6.41 -0.08 -1.26 -4.15 116.55 110.87 1xfr n ASP 105 Ca 0.08 0.53 -0.30 0.00 -1.51 0.00 0.00 54.79 53.60 1xfr n ASP 105 Cb 0.60 -0.54 -0.05 0.00 2.34 0.00 0.00 41.12 43.47 1xfr n ASP 105 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1xfr s ASP 106 N -3.14 5.25 0.57 1.67 1.01 -1.26 -4.79 116.67 115.99 1xfr s ASP 106 Ca 0.01 -0.52 0.28 0.00 0.71 0.00 0.00 52.55 53.03 1xfr s ASP 106 Cb 0.03 -2.55 1.52 0.00 1.01 0.00 0.00 42.92 42.92 1xfr s ASP 106 CO 0.08 -2.60 1.99 0.11 0.21 0.00 0.00 175.17 174.97 1xfr h LYS 107 N 11.89 0.00 0.12 8.23 6.56 -2.00 0.45 116.57 141.82 1xfr h LYS 107 Ca 0.03 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1xfr h LYS 107 Cb 1.04 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.66 1xfr h LYS 107 CO 1.22 0.00 -0.30 0.00 -2.06 0.00 0.00 179.45 178.32 1xfr h ILE 109 N -0.52 1.21 0.16 0.00 2.04 -1.22 -1.19 117.51 117.99 1xfr h ILE 109 Ca 0.03 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1xfr h ILE 109 Cb 0.55 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1xfr h ILE 109 CO -0.18 0.24 -0.52 -0.25 0.00 0.00 0.00 178.15 177.45 1xfr h TRP 110 N 0.50 -1.50 0.00 1.37 7.01 -1.11 0.24 115.95 122.46 1xfr h TRP 110 Ca 0.13 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 1xfr h TRP 110 Cb 0.24 0.63 -0.00 0.00 -2.10 0.00 0.00 29.16 27.93 1xfr h TRP 110 CO 0.01 -0.60 -0.16 1.15 -2.79 0.00 0.00 178.44 176.06 1xfr h THR 111 N -0.77 0.44 -0.00 2.65 2.02 -1.08 0.15 112.91 116.32 1xfr h THR 111 Ca -0.01 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.31 1xfr h THR 111 Cb 0.76 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1xfr h THR 111 CO -0.26 0.15 -0.05 0.25 0.37 0.00 0.00 175.52 175.99 1xfr h LEU 112 N 0.00 -0.13 -0.18 2.58 5.85 -0.88 -1.40 115.31 121.14 1xfr h LEU 112 Ca -0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1xfr h LEU 112 Cb 0.60 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1xfr h LEU 112 CO 0.02 -0.07 -0.16 1.23 -0.34 0.00 0.00 178.44 179.12 1xfr h GLY 113 N -0.08 -0.05 1.82 3.75 0.00 0.94 0.12 103.07 109.56 1xfr h GLY 113 Ca 0.02 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1xfr h GLY 113 CO -0.05 -0.16 0.08 -2.08 0.00 0.00 0.00 176.54 174.33 1xfr h VAL 114 N -0.18 0.97 0.04 4.60 2.07 -1.09 0.08 116.25 122.74 1xfr h VAL 114 Ca 0.11 -0.02 -0.24 0.00 0.82 0.00 0.00 66.70 67.37 1xfr h VAL 114 Cb 0.34 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1xfr h VAL 114 CO -0.28 0.01 -1.04 0.00 0.02 0.00 0.00 177.57 176.28 1xfr h ALA 115 N 1.94 0.26 -0.07 1.67 0.00 -0.37 -3.25 119.26 119.44 1xfr h ALA 115 Ca 0.05 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1xfr h ALA 115 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xfr h ALA 115 CO -0.00 0.82 -0.15 1.15 0.00 0.00 0.00 179.25 181.07 1xfr h THR 116 N 0.21 1.41 -0.27 0.00 2.02 0.11 0.11 112.91 116.51 1xfr h THR 116 Ca -0.10 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 65.65 1xfr h THR 116 Cb 1.69 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 70.26 1xfr h THR 116 CO 0.18 0.41 0.06 0.00 0.37 0.00 0.00 175.52 176.54 1xfr h PHE 118 N 0.17 -0.06 -0.69 0.00 3.57 -1.56 -2.49 116.94 115.87 1xfr h PHE 118 Ca 0.12 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.76 1xfr h PHE 118 Cb 0.12 0.05 -0.13 0.00 2.79 0.00 0.00 35.95 38.77 1xfr h PHE 118 CO -0.16 -0.05 -0.26 -0.22 -2.23 0.00 0.00 178.31 175.39 1xfr h LYS 119 N -0.01 -0.07 0.00 1.11 3.11 -0.60 0.17 116.57 120.29 1xfr h LYS 119 Ca 0.05 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1xfr h LYS 119 Cb 0.08 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.33 1xfr h LYS 119 CO -0.11 -0.05 -0.08 0.00 -2.81 0.00 0.00 179.45 176.40 1xfr h ALA 120 N 1.40 1.36 0.07 5.00 0.00 -1.26 -1.76 119.26 124.07 1xfr h ALA 120 Ca 0.30 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 1xfr h ALA 120 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1xfr h ALA 120 CO -0.74 0.11 -1.09 0.93 0.00 0.00 0.00 179.25 178.46 1xfr h GLU 121 N 0.00 0.28 -0.56 0.00 4.39 -0.50 -1.78 114.58 116.41 1xfr h GLU 121 Ca -0.00 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.25 1xfr h GLU 121 Cb 0.23 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1xfr h GLU 121 CO 0.01 1.13 0.14 0.82 -1.16 0.00 0.00 179.01 179.96 1xfr h ILE 122 N 0.12 1.25 0.05 3.13 1.08 -0.49 0.58 117.51 123.23 1xfr h ILE 122 Ca -0.10 -0.87 0.03 0.00 -0.39 0.00 0.00 64.86 63.53 1xfr h ILE 122 Cb 1.78 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 36.22 1xfr h ILE 122 CO 0.18 0.32 -0.34 0.45 -0.69 0.00 0.00 178.15 178.07 1xfr h HIS 123 N 0.79 -0.94 -0.43 1.37 3.86 -1.42 0.11 115.15 118.50 1xfr h HIS 123 Ca 0.18 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.50 1xfr h HIS 123 Cb 0.33 0.41 -0.09 0.00 1.06 0.00 0.00 27.41 29.12 1xfr h HIS 123 CO 0.02 -0.44 -0.19 0.87 0.86 0.00 0.00 177.93 179.05 1xfr h LYS 124 N -0.52 -0.11 0.00 2.45 1.57 -0.62 -0.13 116.57 119.21 1xfr h LYS 124 Ca 0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1xfr h LYS 124 Cb 0.59 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1xfr h LYS 124 CO -0.25 -0.07 0.00 1.28 -0.57 0.00 0.00 179.45 179.84 1xfr n LEU 125 N -5.38 0.00 -2.04 2.94 4.77 0.13 -4.86 117.00 112.56 1xfr n LEU 125 Ca 0.03 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1xfr n LEU 125 Cb 0.29 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1xfr n LEU 125 CO 0.10 -0.18 -0.18 -3.20 -1.33 0.00 0.00 177.39 172.61 1xfr n ASN 126 N -1.34 -4.40 -1.09 -1.43 5.15 -0.06 -4.88 115.26 107.21 1xfr n ASN 126 Ca 0.06 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 1xfr n ASN 126 Cb 0.12 -3.82 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 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 -2.99 0.00 0.25 1.20 7.02 -0.08 -4.97 117.44 117.87 1xfr n TRP 127 Ca -0.17 -0.58 0.03 0.00 -1.02 0.00 0.00 57.50 55.76 1xfr n TRP 127 Cb 0.59 -0.29 0.02 0.00 -2.42 0.00 0.00 31.31 29.21 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67