#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfr n GLN 2 N 0.00 0.00 0.01 1.43 1.13 -1.23 -1.34 117.38 117.37 1xfr n GLN 2 Ca 0.00 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 1xfr n GLN 2 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 1xfr n GLN 2 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1xfr h GLU 3 N 0.00 -0.07 -0.10 -1.09 4.81 -1.99 0.08 114.58 116.22 1xfr h GLU 3 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1xfr h GLU 3 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1xfr h GLU 3 CO 0.00 -0.04 -0.54 -0.24 -0.73 0.00 0.00 179.01 177.45 1xfr h VAL 4 N -0.07 1.36 0.00 0.32 3.04 -1.67 -2.31 116.25 116.92 1xfr h VAL 4 Ca 0.00 -1.83 0.00 0.00 -1.01 0.00 0.00 66.70 63.86 1xfr h VAL 4 Cb 0.07 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1xfr h VAL 4 CO -0.04 0.55 -0.02 -0.03 -1.01 0.00 0.00 177.57 177.02 1xfr h MET 5 N 0.23 -0.04 -0.41 4.17 4.05 -1.18 0.15 114.93 121.90 1xfr h MET 5 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1xfr h MET 5 Cb 1.03 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.82 1xfr h MET 5 CO 0.09 -0.03 0.27 -0.22 0.23 0.00 0.00 176.91 177.25 1xfr h LYS 6 N -0.04 0.54 -0.92 0.39 3.64 -0.88 -0.65 116.57 118.65 1xfr h LYS 6 Ca 0.01 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1xfr h LYS 6 Cb 0.06 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 1xfr h LYS 6 CO -0.02 0.36 0.59 -0.97 -2.27 0.00 0.00 179.45 177.14 1xfr h ASN 7 N 0.55 0.95 -0.12 4.20 -1.24 -1.00 -0.74 115.58 118.18 1xfr h ASN 7 Ca 0.15 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 1xfr h ASN 7 Cb -0.06 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.79 1xfr h ASN 7 CO -0.03 0.62 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.65 1xfr h LEU 8 N 1.10 0.22 -0.98 0.34 3.38 -0.47 -0.18 115.31 118.71 1xfr h LEU 8 Ca 0.39 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xfr h LEU 8 Cb 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xfr h LEU 8 CO -0.15 0.50 0.00 -0.24 0.09 0.00 0.00 178.44 178.64 1xfr n SER 9 N -4.77 0.63 0.02 -0.43 2.88 -0.27 -2.34 113.62 109.33 1xfr n SER 9 Ca -0.06 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 1xfr n SER 9 Cb 0.22 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1xfr n SER 9 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xfr n LEU 10 N 0.17 0.08 0.28 2.46 7.94 -0.36 -4.72 117.00 122.85 1xfr n LEU 10 Ca 0.00 0.05 0.12 0.00 -1.11 0.00 0.00 56.01 55.07 1xfr n LEU 10 Cb 0.16 0.00 0.77 0.00 0.53 0.00 0.00 43.42 44.88 1xfr n LEU 10 CO 0.00 -0.31 1.07 0.78 -1.11 0.00 0.00 177.39 177.81 1xfr h ASN 11 N 0.00 0.00 0.17 1.96 2.35 -1.05 -2.39 115.58 116.63 1xfr h ASN 11 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xfr h ASN 11 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1xfr h ASN 11 CO 0.00 0.03 -0.23 0.15 -1.65 0.00 0.00 177.43 175.73 1xfr h PHE 12 N 0.00 -0.65 -0.07 1.19 3.04 -1.71 -3.03 116.94 115.71 1xfr h PHE 12 Ca -0.00 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1xfr h PHE 12 Cb 0.07 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1xfr h PHE 12 CO 0.00 -0.29 0.06 0.41 -2.02 0.00 0.00 178.31 176.46 1xfr n GLY 13 N -1.24 2.53 0.28 2.40 0.00 -0.91 -4.27 105.19 103.98 1xfr n GLY 13 Ca -0.05 -0.13 -0.11 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 0.69 -0.66 -0.73 1.61 1.79 -1.40 -3.25 116.57 114.62 1xfr h LYS 14 Ca 0.04 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1xfr h LYS 14 Cb 1.04 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1xfr h LYS 14 CO 0.10 -0.44 0.00 0.00 -1.08 0.00 0.00 179.45 178.03 1xfr n ALA 15 N -2.52 1.79 0.04 3.86 0.00 -1.26 -4.25 120.51 118.17 1xfr n ALA 15 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1xfr n ALA 15 Cb 0.27 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 0.75 -0.03 -1.42 0.00 5.85 -1.86 -2.08 115.31 116.52 1xfr h LEU 16 Ca 0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1xfr h LEU 16 Cb 0.30 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1xfr h LEU 16 CO 0.00 0.08 0.43 -0.78 -0.34 0.00 0.00 178.44 177.84 1xfr h ASP 17 N -0.14 0.65 0.26 1.25 3.58 -1.87 0.29 116.42 120.44 1xfr h ASP 17 Ca -0.00 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1xfr h ASP 17 Cb 0.12 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1xfr h ASP 17 CO 0.01 0.44 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.32 1xfr h GLU 18 N 0.74 -0.37 -0.87 0.28 5.08 -1.84 -1.86 114.58 115.74 1xfr h GLU 18 Ca 0.27 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.86 1xfr h GLU 18 Cb 0.14 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 29.35 1xfr h GLU 18 CO -0.08 -0.24 0.37 0.00 -1.00 0.00 0.00 179.01 178.06 1xfr h LYS 20 N 0.41 -0.36 0.00 0.00 1.57 -0.36 -0.76 116.57 117.06 1xfr h LYS 20 Ca 0.53 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1xfr h LYS 20 Cb 0.97 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1xfr h LYS 20 CO -0.51 -0.24 -0.22 0.87 -0.57 0.00 0.00 179.45 178.78 1xfr h LYS 21 N -0.38 0.00 0.00 3.15 1.57 -0.30 0.66 116.57 121.28 1xfr h LYS 21 Ca 0.10 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1xfr h LYS 21 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1xfr h LYS 21 CO -0.35 0.00 -0.44 0.93 -0.57 0.00 0.00 179.45 179.01 1xfr h GLU 22 N 0.00 0.00 0.00 3.15 5.08 -0.44 -3.35 114.58 119.02 1xfr h GLU 22 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xfr h GLU 22 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1xfr h GLU 22 CO 0.00 0.44 -0.56 -1.33 -1.00 0.00 0.00 179.01 176.56 1xfr n MET 23 N -3.69 3.40 -2.81 2.33 2.81 -0.33 -5.06 117.12 113.77 1xfr n MET 23 Ca -0.01 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.85 1xfr n MET 23 Cb 0.52 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 32.23 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 -1.29-10.66 -5.27 2.03 -1.04 0.02 -5.07 114.28 92.99 1xfr n THR 24 Ca 0.00 1.50 -0.31 0.00 -2.04 0.00 0.00 64.05 63.20 1xfr n THR 24 Cb 0.04 -6.52 -0.16 0.00 -1.82 0.00 0.00 70.33 61.88 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 -1.77 2.11 0.91 -4.42 1.43 -0.04 -5.02 118.68 111.89 1xfr s LEU 25 Ca 0.06 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1xfr s LEU 25 Cb -0.01 -1.36 0.14 0.00 0.03 0.00 0.00 46.19 44.99 1xfr s LEU 25 CO 0.71 0.32 1.09 0.42 0.23 0.00 0.00 176.35 179.11 1xfr s THR 26 N -0.58 2.59 0.30 5.49 -4.23 -1.26 -4.78 115.64 113.16 1xfr s THR 26 Ca 0.09 0.19 0.31 0.00 -1.18 0.00 0.00 61.69 61.10 1xfr s THR 26 Cb -0.10 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.52 1xfr s THR 26 CO -0.01 -0.25 2.04 -2.24 -0.54 0.00 0.00 174.62 173.63 1xfr h ASP 27 N -1.67 0.00 0.06 3.99 2.03 -2.00 -3.20 116.42 115.62 1xfr h ASP 27 Ca -0.49 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1xfr h ASP 27 Cb 1.28 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1xfr h ASP 27 CO 0.52 0.09 -0.01 0.00 -1.03 0.00 0.00 179.24 178.80 1xfr h ALA 28 N 1.91 1.26 0.00 4.15 0.00 -2.01 0.71 119.26 125.29 1xfr h ALA 28 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1xfr h ALA 28 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xfr h ALA 28 CO 0.01 0.01 -0.39 -0.84 0.00 0.00 0.00 179.25 178.05 1xfr h ILE 29 N 0.00 0.89 -0.24 0.00 3.07 -1.94 -1.34 117.51 117.96 1xfr h ILE 29 Ca -0.00 -1.57 0.00 0.00 1.55 0.00 0.00 64.86 64.84 1xfr h ILE 29 Cb 0.04 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.54 1xfr h ILE 29 CO 0.00 0.38 0.16 0.78 -1.05 0.00 0.00 178.15 178.42 1xfr h ASN 30 N 0.00 0.28 -0.62 2.16 2.35 -1.07 0.78 115.58 119.45 1xfr h ASN 30 Ca -0.00 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1xfr h ASN 30 Cb 0.93 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.19 1xfr h ASN 30 CO 0.05 0.22 0.39 -0.08 -1.65 0.00 0.00 177.43 176.36 1xfr h GLU 31 N 0.32 0.75 0.75 0.81 4.81 -1.52 0.19 114.58 120.70 1xfr h GLU 31 Ca 0.09 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1xfr h GLU 31 Cb -0.02 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.20 1xfr h GLU 31 CO -0.02 0.50 -0.36 0.22 -0.73 0.00 0.00 179.01 178.62 1xfr h ASP 32 N 0.78 -0.86 -0.57 1.04 1.82 -0.81 -0.11 116.42 117.70 1xfr h ASP 32 Ca 0.24 0.02 0.06 0.00 -0.39 0.00 0.00 57.03 56.96 1xfr h ASP 32 Cb -0.01 0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.17 1xfr h ASP 32 CO -0.09 -0.58 0.29 -0.26 -1.61 0.00 0.00 179.24 176.99 1xfr h PHE 33 N -1.06 0.53 -0.10 0.28 0.04 -0.79 0.83 116.94 116.67 1xfr h PHE 33 Ca -0.10 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1xfr h PHE 33 Cb 0.79 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 1xfr h PHE 33 CO -0.01 0.24 0.05 -0.92 -0.60 0.00 0.00 178.31 177.07 1xfr h TYR 34 N 0.55 0.14 -0.11 -0.55 3.20 -0.56 -3.14 116.97 116.50 1xfr h TYR 34 Ca 0.26 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1xfr h TYR 34 Cb 0.18 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1xfr h TYR 34 CO -0.10 0.19 0.00 0.09 -1.64 0.00 0.00 178.16 176.70 1xfr n ASN 35 N -4.96 1.86 -0.33 -2.11 3.02 -0.06 -4.60 115.26 108.08 1xfr n ASN 35 Ca -0.05 -1.67 0.17 0.00 -0.03 0.00 0.00 54.58 53.00 1xfr n ASN 35 Cb 0.08 -0.06 0.41 0.00 -0.61 0.00 0.00 39.78 39.60 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 2.67 0.87 -0.12 3.10 3.57 -0.79 0.17 116.94 126.42 1xfr h PHE 36 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1xfr h PHE 36 Cb 0.58 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1xfr h PHE 36 CO 0.06 0.15 0.06 0.91 -2.23 0.00 0.00 178.31 177.26 1xfr n TRP 37 N -4.71 0.38 -1.35 0.41 5.03 -1.26 -4.84 117.44 111.11 1xfr n TRP 37 Ca 0.24 -0.48 -0.29 0.00 3.03 0.00 0.00 57.50 60.00 1xfr n TRP 37 Cb 0.70 -0.28 0.14 0.00 -1.03 0.00 0.00 31.31 30.85 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 -0.74 1.03 -0.28 -0.99 3.01 0.59 -4.99 119.74 117.36 1xfr s LYS 38 Ca 0.08 0.52 0.08 0.00 -1.01 0.00 0.00 55.97 55.63 1xfr s LYS 38 Cb 0.06 -1.81 0.63 0.00 -1.01 0.00 0.00 37.83 35.71 1xfr s LYS 38 CO 0.02 -2.32 1.65 -0.85 0.51 0.00 0.00 175.35 174.36 1xfr n GLU 39 N -3.89 3.25 0.00 1.68 0.28 -1.26 -4.19 120.64 116.51 1xfr n GLU 39 Ca 0.06 -2.59 0.00 0.00 -0.16 0.00 0.00 57.16 54.47 1xfr n GLU 39 Cb 0.57 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 31.37 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 -0.13 0.00 3.72 -1.84 0.00 -1.26 -5.15 105.19 100.53 1xfr n GLY 40 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1xfr n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xfr s TYR 41 N 0.00 3.38 -0.13 1.61 6.14 -1.26 -5.04 117.35 122.05 1xfr s TYR 41 Ca 0.00 1.23 -0.07 0.00 0.64 0.00 0.00 57.07 58.87 1xfr s TYR 41 Cb 0.00 -3.50 -0.04 0.00 0.42 0.00 0.00 41.96 38.84 1xfr s TYR 41 CO 0.00 -1.58 0.11 -1.21 0.64 0.00 0.00 175.55 173.51 1xfr s GLU 42 N 0.77 3.50 -0.36 4.97 8.01 -1.26 -5.04 118.70 129.29 1xfr s GLU 42 Ca 0.59 -0.20 -0.01 0.00 0.01 0.00 0.00 54.97 55.36 1xfr s GLU 42 Cb -0.32 -3.16 0.09 0.00 -4.31 0.00 0.00 34.13 26.42 1xfr s GLU 42 CO 0.31 0.67 0.10 0.42 0.01 0.00 0.00 175.26 176.78 1xfr s ILE 43 N -0.74 2.98 0.00 -1.63 1.01 -1.26 -4.88 121.20 116.68 1xfr s ILE 43 Ca 0.13 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 58.90 1xfr s ILE 43 Cb -0.12 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1xfr s ILE 43 CO 0.03 -0.47 0.29 0.29 0.00 0.00 0.00 174.94 175.08 1xfr n LYS 44 N 4.54 0.11 -1.75 2.79 5.02 -1.26 -4.95 118.16 122.65 1xfr n LYS 44 Ca -0.05 -0.32 -0.25 0.00 -2.02 0.00 0.00 58.31 55.67 1xfr n LYS 44 Cb 0.42 -0.57 -0.05 0.00 -0.02 0.00 0.00 35.03 34.81 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 -0.06 4.49 0.53 4.39 -0.87 -1.26 -4.84 114.94 117.32 1xfr s ASN 45 Ca 0.00 0.12 0.38 0.00 -1.57 0.00 0.00 52.86 51.79 1xfr s ASN 45 Cb 0.00 -2.54 1.55 0.00 -0.02 0.00 0.00 41.25 40.24 1xfr s ASN 45 CO 0.00 -3.19 1.75 -0.09 -2.57 0.00 0.00 177.10 172.99 1xfr h ARG 46 N 14.12 0.03 0.00 -0.60 2.43 -1.97 0.92 114.38 129.31 1xfr h ARG 46 Ca -0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1xfr h ARG 46 Cb 1.08 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1xfr h ARG 46 CO 1.12 0.02 -0.01 0.93 -1.51 0.00 0.00 179.97 180.51 1xfr h GLU 47 N 0.03 0.00 -0.35 0.20 4.39 -1.96 -1.89 114.58 115.00 1xfr h GLU 47 Ca 0.66 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.24 1xfr h GLU 47 Cb 2.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 31.18 1xfr h GLU 47 CO -0.05 0.01 -0.25 1.79 -1.16 0.00 0.00 179.01 179.36 1xfr h THR 48 N 0.00 1.29 -0.47 1.13 1.35 -1.21 0.31 112.91 115.31 1xfr h THR 48 Ca -0.00 -1.40 0.07 0.00 -0.55 0.00 0.00 66.41 64.53 1xfr h THR 48 Cb 0.05 1.41 -0.06 0.00 -1.73 0.00 0.00 68.15 67.82 1xfr h THR 48 CO 0.00 0.46 0.14 1.23 -0.25 0.00 0.00 175.52 177.11 1xfr h GLY 49 N 0.57 0.60 1.95 5.82 0.00 -1.49 0.19 103.07 110.72 1xfr h GLY 49 Ca 0.07 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1xfr h GLY 49 CO 0.07 -0.01 -0.66 0.00 0.00 0.00 0.00 176.54 175.94 1xfr h ALA 51 N 1.30 -0.65 -0.90 0.00 0.00 0.15 -1.34 119.26 117.82 1xfr h ALA 51 Ca -0.01 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 54.98 1xfr h ALA 51 Cb 1.17 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 1xfr h ALA 51 CO 0.09 -0.89 0.44 0.82 0.00 0.00 0.00 179.25 179.71 1xfr h ILE 52 N -0.65 0.59 0.56 0.00 2.04 -0.57 0.98 117.51 120.46 1xfr h ILE 52 Ca -0.03 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1xfr h ILE 52 Cb 0.56 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1xfr h ILE 52 CO -0.01 0.09 -0.27 -0.03 0.00 0.00 0.00 178.15 177.93 1xfr h MET 53 N 0.52 -0.73 0.21 2.37 4.05 -1.29 -0.65 114.93 119.42 1xfr h MET 53 Ca 0.53 0.05 0.01 0.00 -0.28 0.00 0.00 59.70 60.01 1xfr h MET 53 Cb 0.92 0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.85 1xfr h MET 53 CO -0.46 -0.45 -0.44 0.00 0.23 0.00 0.00 176.91 175.79 1xfr h LEU 55 N -0.74 -0.44 -0.41 0.00 -0.00 -1.00 -0.73 115.31 111.98 1xfr h LEU 55 Ca -0.00 0.17 0.08 0.00 -0.00 0.00 0.00 57.88 58.13 1xfr h LEU 55 Cb 0.73 0.33 -0.08 0.00 -0.00 0.00 0.00 40.66 41.64 1xfr h LEU 55 CO -0.20 -0.17 -0.13 0.28 -0.00 0.00 0.00 178.44 178.23 1xfr h SER 56 N 0.05 -0.46 -0.33 -0.43 0.02 -0.33 0.16 113.55 112.23 1xfr h SER 56 Ca 0.31 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.46 1xfr h SER 56 Cb 0.49 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.25 1xfr h SER 56 CO -0.59 -0.16 -0.09 0.74 -1.14 0.00 0.00 176.83 175.59 1xfr h THR 57 N -0.03 0.65 0.00 -2.27 2.02 -0.63 0.17 112.91 112.82 1xfr h THR 57 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1xfr h THR 57 Cb 0.34 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1xfr h THR 57 CO -0.44 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.56 1xfr h LYS 58 N -0.01 0.00 -0.14 6.66 1.57 0.73 0.16 116.57 125.53 1xfr h LYS 58 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1xfr h LYS 58 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1xfr h LYS 58 CO -0.35 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.81 1xfr n LEU 59 N -2.80 2.43 -2.29 2.94 7.99 -0.42 -4.96 117.00 119.89 1xfr n LEU 59 Ca -0.01 -0.92 -0.16 0.00 -0.01 0.00 0.00 56.01 54.90 1xfr n LEU 59 Cb 0.13 -0.08 0.03 0.00 -0.11 0.00 0.00 43.42 43.39 1xfr n LEU 59 CO 0.19 0.46 0.04 -3.20 -1.51 0.00 0.00 177.39 173.37 1xfr n ASN 60 N 0.86 -4.84 -1.04 -1.43 5.15 0.55 -4.97 115.26 109.53 1xfr n ASN 60 Ca 0.17 -0.24 0.10 0.00 -0.60 0.00 0.00 54.58 54.01 1xfr n ASN 60 Cb 0.48 -3.64 0.26 0.00 -0.53 0.00 0.00 39.78 36.35 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 -3.18 2.32 -3.97 1.20 2.81 0.57 -4.71 117.12 112.16 1xfr n MET 61 Ca -0.06 -2.04 -0.32 0.00 -1.81 0.00 0.00 57.70 53.47 1xfr n MET 61 Cb 0.58 -1.46 -0.14 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 -1.11 4.78 1.09 4.03 1.43 -1.25 -0.88 118.68 126.77 1xfr s LEU 62 Ca 0.38 -2.28 -0.16 0.00 -1.03 0.00 0.00 54.13 51.04 1xfr s LEU 62 Cb 0.20 -1.66 0.12 0.00 0.03 0.00 0.00 46.19 44.88 1xfr s LEU 62 CO 0.27 -0.38 0.27 -0.67 0.23 0.00 0.00 176.35 176.07 1xfr n ASP 63 N 4.11 -2.13 -1.79 2.29 2.03 -0.50 -4.77 116.55 115.79 1xfr n ASP 63 Ca 0.03 -0.01 -0.10 0.00 0.52 0.00 0.00 54.79 55.23 1xfr n ASP 63 Cb 0.40 -1.07 -0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1xfr n ASP 63 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xfr n PRO 64 N -2.47 1.54 0.00 -0.67 -0.04 -1.26 -1.51 135.00 130.58 1xfr n PRO 64 Ca 0.03 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1xfr n PRO 64 Cb 0.59 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.03 3.17 -0.38 0.54 -0.58 -1.26 -5.04 120.64 118.13 1xfr n GLU 65 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1xfr n GLU 65 Cb 0.57 -0.26 0.00 0.00 -0.57 0.00 0.00 31.44 31.18 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 0.00 0.83 3.96 0.62 0.00 -0.57 -5.10 105.19 104.92 1xfr n GLY 66 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 1xfr n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfr s ASN 67 N -2.35 5.89 -0.22 1.61 2.20 -1.26 -4.94 114.94 115.86 1xfr s ASN 67 Ca 0.00 0.17 -0.29 0.00 -0.94 0.00 0.00 52.86 51.80 1xfr s ASN 67 Cb 0.00 -1.48 0.01 0.00 -2.00 0.00 0.00 41.25 37.78 1xfr s ASN 67 CO 0.00 -0.61 1.04 -0.22 -2.94 0.00 0.00 177.10 174.36 1xfr s LEU 68 N -4.44 4.11 -1.09 3.54 0.20 -1.26 -1.41 118.68 118.32 1xfr s LEU 68 Ca 0.47 1.39 -0.22 0.00 0.69 0.00 0.00 54.13 56.46 1xfr s LEU 68 Cb -0.10 -3.54 0.01 0.00 -0.43 0.00 0.00 46.19 42.13 1xfr s LEU 68 CO 0.36 -0.66 1.71 -2.28 -0.29 0.00 0.00 176.35 175.19 1xfr s HIS 69 N 3.14 2.34 0.38 5.38 5.65 -0.06 -4.81 115.29 127.31 1xfr s HIS 69 Ca 0.44 -0.51 0.15 0.00 0.25 0.00 0.00 55.06 55.40 1xfr s HIS 69 Cb -0.15 -4.46 1.01 0.00 -1.18 0.00 0.00 32.58 27.80 1xfr s HIS 69 CO 0.07 -1.75 1.81 0.45 -0.65 0.00 0.00 174.74 174.66 1xfr h HIS 70 N 9.56 0.70 0.00 3.88 -0.00 -1.93 -0.07 115.15 127.30 1xfr h HIS 70 Ca 0.24 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 1xfr h HIS 70 Cb 0.96 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.15 1xfr h HIS 70 CO 1.29 0.14 -0.08 0.78 -0.00 0.00 0.00 177.93 180.06 1xfr h GLY 71 N 0.49 -1.33 2.00 2.45 0.00 -1.98 -0.31 103.07 104.39 1xfr h GLY 71 Ca 0.54 0.60 -0.03 0.00 0.00 0.00 0.00 47.33 48.43 1xfr h GLY 71 CO -0.27 -0.48 -0.17 -0.57 0.00 0.00 0.00 176.54 175.06 1xfr h ASN 72 N -0.10 0.00 -0.54 0.19 -1.24 -1.66 -1.23 115.58 111.00 1xfr h ASN 72 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1xfr h ASN 72 Cb 0.11 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 1xfr h ASN 72 CO -0.05 0.17 0.30 0.00 -1.29 0.00 0.00 177.43 176.55 1xfr h ALA 73 N 1.83 0.69 -0.34 1.57 0.00 -0.93 -1.40 119.26 120.68 1xfr h ALA 73 Ca -0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1xfr h ALA 73 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xfr h ALA 73 CO 0.02 0.20 -0.38 1.98 0.00 0.00 0.00 179.25 181.08 1xfr h MET 74 N 0.72 0.82 -0.28 0.00 1.85 -0.09 -2.67 114.93 115.27 1xfr h MET 74 Ca 0.19 -0.42 0.02 0.00 -0.61 0.00 0.00 59.70 58.88 1xfr h MET 74 Cb 0.04 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 1xfr h MET 74 CO -0.03 1.05 0.15 0.93 -0.40 0.00 0.00 176.91 178.61 1xfr h GLU 75 N 0.67 0.30 -0.67 0.39 4.39 -1.12 -0.86 114.58 117.69 1xfr h GLU 75 Ca 0.06 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.86 1xfr h GLU 75 Cb 0.94 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.44 1xfr h GLU 75 CO 0.09 0.20 0.22 0.35 -1.16 0.00 0.00 179.01 178.71 1xfr h PHE 76 N 0.31 0.38 0.79 4.33 3.57 -1.23 -0.06 116.94 125.02 1xfr h PHE 76 Ca 0.11 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1xfr h PHE 76 Cb 0.02 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 38.70 1xfr h PHE 76 CO -0.09 0.04 -0.38 0.00 -2.23 0.00 0.00 178.31 175.65 1xfr h ALA 77 N 1.49 -1.06 -0.62 2.41 0.00 -0.94 -2.11 119.26 118.42 1xfr h ALA 77 Ca 0.35 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xfr h ALA 77 Cb 0.51 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1xfr h ALA 77 CO -0.38 -1.05 0.40 0.87 0.00 0.00 0.00 179.25 179.09 1xfr h LYS 78 N -1.15 0.79 -0.52 0.00 6.56 -1.04 -1.64 116.57 119.58 1xfr h LYS 78 Ca -0.11 -0.05 0.09 0.00 -1.06 0.00 0.00 60.65 59.52 1xfr h LYS 78 Cb 0.83 -0.18 -0.10 0.00 -0.57 0.00 0.00 32.23 32.20 1xfr h LYS 78 CO 0.18 0.52 -0.40 -0.22 -2.06 0.00 0.00 179.45 177.48 1xfr h LYS 79 N 0.82 -0.23 0.00 3.15 3.64 -0.96 -1.66 116.57 121.33 1xfr h LYS 79 Ca 0.24 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1xfr h LYS 79 Cb -0.06 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1xfr h LYS 79 CO -0.07 -0.15 0.00 0.72 -2.27 0.00 0.00 179.45 177.68 1xfr n HIS 80 N -5.42 0.00 0.00 1.91 8.25 -0.80 -4.88 115.22 114.28 1xfr n HIS 80 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1xfr n HIS 80 Cb 0.35 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 0.78 1.06 3.72 -1.41 0.00 -0.62 -4.94 105.19 103.77 1xfr n GLY 81 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 1.85 0.82 4.61 0.00 -0.67 -4.99 121.76 121.38 1xfr s ALA 82 Ca 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 1xfr s ALA 82 Cb 0.00 -3.38 0.10 0.00 0.00 0.00 0.00 23.12 19.84 1xfr s ALA 82 CO 0.00 -2.27 1.19 -0.51 0.00 0.00 0.00 175.76 174.17 1xfr s ASP 83 N -2.89 4.29 0.06 0.00 1.01 -1.26 -4.48 116.67 113.39 1xfr s ASP 83 Ca 0.65 0.65 -0.27 0.00 0.71 0.00 0.00 52.55 54.29 1xfr s ASP 83 Cb -0.21 -1.07 -0.17 0.00 1.01 0.00 0.00 42.92 42.48 1xfr s ASP 83 CO 0.56 -2.02 1.56 -0.08 0.21 0.00 0.00 175.17 175.40 1xfr h GLU 84 N -1.11 -0.38 -0.04 8.23 4.22 -1.98 -0.57 114.58 122.96 1xfr h GLU 84 Ca -0.45 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.03 1xfr h GLU 84 Cb 1.31 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1xfr h GLU 84 CO 0.60 -0.18 -0.06 1.15 -2.18 0.00 0.00 179.01 178.35 1xfr h THR 85 N -0.49 0.84 -0.07 0.32 2.02 -1.99 -0.47 112.91 113.07 1xfr h THR 85 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1xfr h THR 85 Cb 0.37 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1xfr h THR 85 CO 0.07 0.00 0.04 -0.03 0.37 0.00 0.00 175.52 175.97 1xfr h MET 86 N -0.08 0.08 0.00 6.66 1.85 -1.95 -1.90 114.93 119.59 1xfr h MET 86 Ca 0.04 -0.01 -0.07 0.00 -0.61 0.00 0.00 59.70 59.05 1xfr h MET 86 Cb 0.13 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 1xfr h MET 86 CO -0.09 0.06 -0.33 0.00 -0.40 0.00 0.00 176.91 176.15 1xfr h ALA 87 N 1.03 1.43 0.09 0.39 0.00 -0.60 0.13 119.26 121.72 1xfr h ALA 87 Ca 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xfr h ALA 87 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xfr h ALA 87 CO -0.01 0.41 -0.04 0.37 0.00 0.00 0.00 179.25 179.98 1xfr h GLN 88 N 0.00 -0.11 -0.64 0.00 5.75 -0.81 -2.84 115.11 116.47 1xfr h GLN 88 Ca -0.00 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 1xfr h GLN 88 Cb 0.59 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.12 1xfr h GLN 88 CO 0.04 -0.05 0.35 1.96 -2.65 0.00 0.00 178.83 178.49 1xfr h GLN 89 N -0.15 0.64 0.00 1.69 4.20 -0.52 0.19 115.11 121.16 1xfr h GLN 89 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1xfr h GLN 89 Cb 0.12 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1xfr h GLN 89 CO 0.02 0.42 0.00 -0.07 -0.67 0.00 0.00 178.83 178.53 1xfr h LEU 90 N 0.66 0.00 0.00 1.46 3.38 -0.66 -0.60 115.31 119.55 1xfr h LEU 90 Ca 0.28 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.85 1xfr h LEU 90 Cb 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1xfr h LEU 90 CO -0.17 0.00 -2.47 -0.38 0.09 0.00 0.00 178.44 175.51 1xfr n ILE 91 N -2.52 1.51 -0.22 1.22 -0.00 -0.87 -4.04 119.36 114.43 1xfr n ILE 91 Ca -0.01 -0.55 -0.02 0.00 -0.00 0.00 0.00 62.75 62.18 1xfr n ILE 91 Cb 0.12 -1.49 0.09 0.00 -0.00 0.00 0.00 39.64 38.37 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 -0.12 0.48 0.19 4.38 1.82 0.08 0.32 116.42 123.57 1xfr h ASP 92 Ca -0.59 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.08 1xfr h ASP 92 Cb 1.87 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.83 1xfr h ASP 92 CO -0.12 0.31 -0.09 0.40 -1.61 0.00 0.00 179.24 178.12 1xfr h ILE 93 N 0.62 0.89 0.70 2.25 2.04 -1.39 -2.39 117.51 120.22 1xfr h ILE 93 Ca 0.29 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1xfr h ILE 93 Cb 0.21 1.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1xfr h ILE 93 CO -0.20 0.19 -0.34 0.58 0.00 0.00 0.00 178.15 178.39 1xfr h VAL 94 N -0.75 0.31 -0.87 1.67 2.07 -1.61 -2.54 116.25 114.52 1xfr h VAL 94 Ca -0.03 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.63 1xfr h VAL 94 Cb 0.51 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.49 1xfr h VAL 94 CO 0.04 0.00 0.46 -0.74 0.02 0.00 0.00 177.57 177.35 1xfr h HIS 95 N -0.96 0.80 -0.12 1.57 6.17 -0.51 -1.87 115.15 120.24 1xfr h HIS 95 Ca -0.10 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.06 1xfr h HIS 95 Cb 0.73 -0.22 -0.05 0.00 2.52 0.00 0.00 27.41 30.38 1xfr h HIS 95 CO -0.02 0.18 -0.20 0.78 0.71 0.00 0.00 177.93 179.37 1xfr h GLY 96 N 0.63 -0.18 1.92 5.26 0.00 -1.02 -2.80 103.07 106.89 1xfr h GLY 96 Ca 0.48 0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.96 1xfr h GLY 96 CO -0.38 -0.18 -0.43 0.00 0.00 0.00 0.00 176.54 175.55 1xfr h GLU 98 N 0.07 0.00 0.00 0.00 3.07 -1.14 0.90 114.58 117.48 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 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1xfr h GLU 98 CO 0.06 0.00 -0.58 0.36 -1.40 0.00 0.00 179.01 177.45 1xfr n LYS 99 N -2.11 2.33 0.13 2.33 0.00 -1.25 -4.83 118.16 114.76 1xfr n LYS 99 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.17 1xfr n LYS 99 Cb 0.29 -0.79 -0.08 0.00 -0.00 0.00 0.00 35.03 34.45 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 -0.27 -1.89 -5.58 0.02 -1.32 -3.45 113.55 101.06 1xfr h SER 100 Ca 0.00 -0.17 -0.62 0.00 -0.84 0.00 0.00 61.79 60.17 1xfr h SER 100 Cb 0.55 0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.16 1xfr h SER 100 CO 0.00 0.03 1.22 0.41 -1.14 0.00 0.00 176.83 177.35 1xfr n THR 101 N -5.12 0.50 -2.48 -2.27 -1.04 0.27 -4.92 114.28 99.22 1xfr n THR 101 Ca -0.09 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.05 61.31 1xfr n THR 101 Cb 0.23 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 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 4.83 4.44 0.21 -2.82 0.04 -1.26 -4.97 135.00 135.47 1xfr s PRO 102 Ca 0.97 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 63.69 1xfr s PRO 102 Cb -0.65 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 1xfr s PRO 102 CO 0.48 -0.26 0.13 0.00 0.04 0.00 0.00 177.00 177.39 1xfr s ALA 103 N 1.27 1.26 0.98 8.56 0.00 -1.26 -4.95 121.76 127.61 1xfr s ALA 103 Ca 0.57 -1.73 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1xfr s ALA 103 Cb -0.27 1.35 0.11 0.00 0.00 0.00 0.00 23.12 24.31 1xfr s ALA 103 CO 0.28 -0.58 0.67 0.09 0.00 0.00 0.00 175.76 176.22 1xfr n ASN 104 N -0.32 0.08 0.00 0.00 3.02 -1.26 -4.93 115.26 111.85 1xfr n ASN 104 Ca 0.02 -1.26 0.04 0.00 -0.03 0.00 0.00 54.58 53.34 1xfr n ASN 104 Cb 0.66 -0.51 0.19 0.00 -0.61 0.00 0.00 39.78 39.51 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 -3.42 0.00 -4.55 6.41 2.03 -1.26 -4.57 116.55 111.19 1xfr n ASP 105 Ca 0.08 0.17 -0.33 0.00 0.52 0.00 0.00 54.79 55.23 1xfr n ASP 105 Cb 0.30 -0.28 -0.04 0.00 -0.72 0.00 0.00 41.12 40.38 1xfr n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xfr s ASP 106 N -2.55 5.24 0.56 1.67 -1.08 -1.26 -4.85 116.67 114.39 1xfr s ASP 106 Ca 0.07 -0.16 0.28 0.00 -0.52 0.00 0.00 52.55 52.23 1xfr s ASP 106 Cb 0.05 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.44 1xfr s ASP 106 CO 0.11 -2.53 1.94 0.11 0.52 0.00 0.00 175.17 175.32 1xfr h LYS 107 N 13.16 0.00 0.04 4.34 1.79 -1.99 0.50 116.57 134.42 1xfr h LYS 107 Ca -0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1xfr h LYS 107 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1xfr h LYS 107 CO 1.22 0.00 -0.02 0.00 -1.08 0.00 0.00 179.45 179.57 1xfr h ILE 109 N -0.13 1.07 0.05 0.00 1.08 -1.27 -0.83 117.51 117.47 1xfr h ILE 109 Ca -0.01 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1xfr h ILE 109 Cb 0.11 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1xfr h ILE 109 CO 0.01 0.07 -0.34 -0.25 -0.69 0.00 0.00 178.15 176.95 1xfr h TRP 110 N 0.28 -0.99 -0.13 1.37 7.01 -1.07 -0.03 115.95 122.38 1xfr h TRP 110 Ca 0.08 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 1xfr h TRP 110 Cb -0.01 0.43 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1xfr h TRP 110 CO -0.06 -0.38 0.08 1.15 -2.79 0.00 0.00 178.44 176.45 1xfr h THR 111 N -0.46 1.04 0.38 2.65 2.02 -1.11 -1.46 112.91 115.95 1xfr h THR 111 Ca -0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1xfr h THR 111 Cb 0.48 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1xfr h THR 111 CO -0.20 0.04 -0.18 0.25 0.37 0.00 0.00 175.52 175.80 1xfr h LEU 112 N 0.18 -0.43 -0.64 2.58 6.46 -0.65 -1.93 115.31 120.88 1xfr h LEU 112 Ca 0.05 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1xfr h LEU 112 Cb -0.01 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.99 1xfr h LEU 112 CO -0.01 -0.28 0.39 1.23 -0.62 0.00 0.00 178.44 179.15 1xfr h GLY 113 N -0.54 0.91 0.74 3.75 0.00 -0.00 0.10 103.07 108.04 1xfr h GLY 113 Ca -0.05 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.05 1xfr h GLY 113 CO 0.08 0.23 0.47 -2.08 0.00 0.00 0.00 176.54 175.25 1xfr h VAL 114 N 0.75 1.04 -0.12 4.60 2.07 -1.34 -1.87 116.25 121.38 1xfr h VAL 114 Ca 0.26 -0.30 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 1xfr h VAL 114 Cb 0.05 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1xfr h VAL 114 CO -0.12 0.16 -0.48 0.00 0.02 0.00 0.00 177.57 177.15 1xfr h ALA 115 N 1.37 0.95 -0.14 1.67 0.00 -0.45 -3.02 119.26 119.64 1xfr h ALA 115 Ca 0.34 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1xfr h ALA 115 Cb 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xfr h ALA 115 CO -0.16 0.65 -0.60 1.15 0.00 0.00 0.00 179.25 180.29 1xfr h THR 116 N 0.25 1.32 -0.29 0.00 2.02 -0.08 0.87 112.91 117.00 1xfr h THR 116 Ca 0.01 -1.86 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 1xfr h THR 116 Cb 0.95 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 1xfr h THR 116 CO 0.08 0.58 0.05 0.00 0.37 0.00 0.00 175.52 176.59 1xfr h PHE 118 N 0.30 -0.39 -0.45 0.00 3.57 -1.46 -2.86 116.94 115.65 1xfr h PHE 118 Ca 0.09 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.68 1xfr h PHE 118 Cb 0.34 0.17 -0.10 0.00 2.79 0.00 0.00 35.95 39.15 1xfr h PHE 118 CO 0.02 -0.23 -0.33 -0.22 -2.23 0.00 0.00 178.31 175.33 1xfr h LYS 119 N -0.27 -0.22 -0.57 1.11 3.64 -0.82 -0.86 116.57 118.59 1xfr h LYS 119 Ca 0.04 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1xfr h LYS 119 Cb 0.32 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1xfr h LYS 119 CO -0.12 -0.15 0.38 0.00 -2.27 0.00 0.00 179.45 177.28 1xfr h ALA 120 N 0.81 1.70 -0.65 5.00 0.00 -1.46 -0.61 119.26 124.05 1xfr h ALA 120 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xfr h ALA 120 Cb 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1xfr h ALA 120 CO -0.57 0.24 0.28 0.93 0.00 0.00 0.00 179.25 180.13 1xfr h GLU 121 N 0.66 0.96 -0.41 0.00 4.39 -0.96 -2.04 114.58 117.19 1xfr h GLU 121 Ca 0.23 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1xfr h GLU 121 Cb 0.08 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1xfr h GLU 121 CO -0.06 0.79 0.15 0.82 -1.16 0.00 0.00 179.01 179.56 1xfr h ILE 122 N 0.91 0.89 -0.67 3.13 1.08 -0.56 -0.59 117.51 121.70 1xfr h ILE 122 Ca 0.22 -0.11 0.06 0.00 -0.39 0.00 0.00 64.86 64.64 1xfr h ILE 122 Cb 0.17 0.54 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 1xfr h ILE 122 CO -0.02 0.06 0.38 0.45 -0.69 0.00 0.00 178.15 178.32 1xfr h HIS 123 N 0.32 0.69 -0.86 1.37 3.86 -1.03 -0.84 115.15 118.66 1xfr h HIS 123 Ca 0.19 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1xfr h HIS 123 Cb 0.16 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 1xfr h HIS 123 CO -0.14 0.33 0.46 1.57 0.86 0.00 0.00 177.93 181.01 1xfr h LYS 124 N 0.70 1.22 0.00 2.45 2.10 -0.57 -1.18 116.57 121.28 1xfr h LYS 124 Ca 0.30 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1xfr h LYS 124 Cb 0.18 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1xfr h LYS 124 CO -0.18 0.90 0.00 1.28 -2.00 0.00 0.00 179.45 179.45 1xfr n LEU 125 N -4.35 0.00 -1.74 7.07 4.77 -0.32 -4.83 117.00 117.60 1xfr n LEU 125 Ca 0.09 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 56.09 1xfr n LEU 125 Cb 0.11 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1xfr n LEU 125 CO 0.39 -0.07 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.01 1xfr n ASN 126 N -1.18 -4.30 0.00 -1.43 5.15 -0.45 -4.87 115.26 108.18 1xfr n ASN 126 Ca 0.11 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1xfr n ASN 126 Cb 0.11 -3.83 0.01 0.00 -0.53 0.00 0.00 39.78 35.54 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 -2.51 0.00 -0.15 1.20 7.02 -0.41 -4.64 117.44 117.96 1xfr n TRP 127 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.31 1xfr n TRP 127 Cb 0.55 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.44 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67