#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 0.89 -0.39 1.43 4.20 -1.84 -2.41 115.11 116.99 1xfr h GLN 2 Ca 0.00 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.73 1xfr h GLN 2 Cb 0.00 -0.20 -0.07 0.00 0.30 0.00 0.00 27.48 27.50 1xfr h GLN 2 CO 0.00 0.59 -0.09 1.49 -0.67 0.00 0.00 178.83 180.15 1xfr h GLU 3 N 0.92 0.01 0.01 1.46 4.81 -2.00 0.13 114.58 119.92 1xfr h GLU 3 Ca 0.39 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1xfr h GLU 3 Cb 0.31 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1xfr h GLU 3 CO -0.16 0.00 -0.00 -0.24 -0.73 0.00 0.00 179.01 177.89 1xfr h VAL 4 N 0.01 1.51 -0.52 0.32 3.04 -1.84 -3.05 116.25 115.71 1xfr h VAL 4 Ca 0.19 -1.55 0.10 0.00 -1.01 0.00 0.00 66.70 64.44 1xfr h VAL 4 Cb 0.29 2.55 -0.11 0.00 -2.01 0.00 0.00 31.29 32.01 1xfr h VAL 4 CO -0.40 0.40 -0.25 -0.03 -1.01 0.00 0.00 177.57 176.28 1xfr h MET 5 N -0.67 -0.12 -0.02 4.17 4.05 -1.11 0.21 114.93 121.44 1xfr h MET 5 Ca -0.00 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1xfr h MET 5 Cb 0.66 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.43 1xfr h MET 5 CO 0.00 -0.08 -0.35 -0.22 0.23 0.00 0.00 176.91 176.49 1xfr h LYS 6 N -0.12 -0.47 -0.34 0.39 3.11 -0.85 -1.56 116.57 116.71 1xfr h LYS 6 Ca 0.24 0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 58.05 1xfr h LYS 6 Cb 0.50 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.82 1xfr h LYS 6 CO -0.60 -0.32 -0.03 -0.97 -2.81 0.00 0.00 179.45 174.72 1xfr h ASN 7 N -0.49 0.52 0.77 4.20 -1.24 -1.12 -2.32 115.58 115.90 1xfr h ASN 7 Ca 0.06 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 1xfr h ASN 7 Cb 0.59 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 1xfr h ASN 7 CO -0.29 0.61 -0.44 -0.07 -1.29 0.00 0.00 177.43 175.95 1xfr h LEU 8 N 0.52 -1.09 -0.62 0.34 3.38 -0.41 -1.10 115.31 116.31 1xfr h LEU 8 Ca 0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xfr h LEU 8 Cb 0.39 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1xfr h LEU 8 CO 0.02 -0.70 0.00 -0.24 0.09 0.00 0.00 178.44 177.61 1xfr n SER 9 N -5.59 0.36 0.02 -0.43 2.88 -0.61 -1.42 113.62 108.83 1xfr n SER 9 Ca -0.14 -1.14 -0.00 0.00 -1.33 0.00 0.00 58.87 56.25 1xfr n SER 9 Cb 0.47 -0.18 -0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 -0.06 0.62 -0.19 2.46 0.00 -0.91 -4.61 117.00 114.32 1xfr n LEU 10 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 56.01 56.08 1xfr n LEU 10 Cb 0.09 -0.19 0.09 0.00 0.00 0.00 0.00 43.42 43.41 1xfr n LEU 10 CO 0.00 -0.39 0.96 0.78 0.00 0.00 0.00 177.39 178.74 1xfr h ASN 11 N -0.02 0.14 -0.94 1.96 2.35 -1.01 -2.04 115.58 116.01 1xfr h ASN 11 Ca -0.01 0.08 0.26 0.00 -0.55 0.00 0.00 56.30 56.08 1xfr h ASN 11 Cb 0.50 0.08 -0.13 0.00 0.05 0.00 0.00 38.32 38.82 1xfr h ASN 11 CO -0.00 0.09 0.45 0.15 -1.65 0.00 0.00 177.43 176.47 1xfr h PHE 12 N 0.34 0.74 -0.34 1.19 3.04 -1.48 -1.25 116.94 119.19 1xfr h PHE 12 Ca 0.28 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.28 1xfr h PHE 12 Cb 0.36 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.70 1xfr h PHE 12 CO -0.19 -0.09 0.00 0.41 -2.02 0.00 0.00 178.31 176.42 1xfr n GLY 13 N -1.33 0.67 0.32 2.40 0.00 -0.77 -4.53 105.19 101.95 1xfr n GLY 13 Ca 0.26 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 2.00 -0.78 -1.05 1.61 1.79 -1.23 -3.00 116.57 115.91 1xfr h LYS 14 Ca 0.00 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1xfr h LYS 14 Cb 0.49 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1xfr h LYS 14 CO 0.01 -0.52 0.00 0.00 -1.08 0.00 0.00 179.45 177.86 1xfr n ALA 15 N -2.43 2.36 0.28 3.86 0.00 -1.26 -4.25 120.51 119.07 1xfr n ALA 15 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1xfr n ALA 15 Cb 0.32 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 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 0.83 -0.90 -1.40 0.00 5.85 -1.82 -2.41 115.31 115.47 1xfr h LEU 16 Ca 0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1xfr h LEU 16 Cb 0.75 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1xfr h LEU 16 CO 0.00 -0.52 -0.04 -0.78 -0.34 0.00 0.00 178.44 176.76 1xfr h ASP 17 N -0.80 0.32 0.53 1.25 3.58 -1.84 0.22 116.42 119.68 1xfr h ASP 17 Ca -0.05 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1xfr h ASP 17 Cb 0.68 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1xfr h ASP 17 CO 0.01 0.41 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.19 1xfr h GLU 18 N 0.33 -0.70 -0.83 0.28 4.39 -1.87 -2.26 114.58 113.92 1xfr h GLU 18 Ca 0.07 0.05 0.18 0.00 0.34 0.00 0.00 59.36 60.00 1xfr h GLU 18 Cb 0.30 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1xfr h GLU 18 CO 0.01 -0.47 0.55 0.00 -1.16 0.00 0.00 179.01 177.95 1xfr h LYS 20 N 0.42 -0.91 -0.37 0.00 1.57 -0.54 -1.89 116.57 114.85 1xfr h LYS 20 Ca 0.42 0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 59.22 1xfr h LYS 20 Cb 1.01 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1xfr h LYS 20 CO -0.15 -0.61 0.03 0.87 -0.57 0.00 0.00 179.45 179.02 1xfr h LYS 21 N -0.95 0.56 -0.48 3.15 6.56 -0.62 0.16 116.57 124.96 1xfr h LYS 21 Ca -0.07 -0.11 0.04 0.00 -1.06 0.00 0.00 60.65 59.45 1xfr h LYS 21 Cb 0.79 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.34 1xfr h LYS 21 CO 0.00 0.57 0.32 0.93 -2.06 0.00 0.00 179.45 179.21 1xfr h GLU 22 N 0.54 0.48 -0.02 3.15 5.08 -0.84 -3.04 114.58 119.94 1xfr h GLU 22 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xfr h GLU 22 Cb 0.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xfr h GLU 22 CO 0.01 0.32 0.00 -1.33 -1.00 0.00 0.00 179.01 177.01 1xfr n MET 23 N -4.48 0.49 -3.44 2.33 2.81 -0.73 -5.03 117.12 109.08 1xfr n MET 23 Ca 0.06 -0.94 -0.13 0.00 -1.81 0.00 0.00 57.70 54.88 1xfr n MET 23 Cb 0.18 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.02 -6.65 -3.86 2.03 -1.04 0.27 -5.05 114.28 99.95 1xfr n THR 24 Ca 0.02 -0.12 -0.21 0.00 -2.04 0.00 0.00 64.05 61.69 1xfr n THR 24 Cb 0.13 -4.87 -0.04 0.00 -1.82 0.00 0.00 70.33 63.73 1xfr n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xfr s LEU 25 N -4.49 3.63 0.54 -4.42 1.43 0.30 -5.02 118.68 110.65 1xfr s LEU 25 Ca 0.00 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.72 1xfr s LEU 25 Cb -0.00 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 44.04 1xfr s LEU 25 CO 0.83 -0.30 0.53 0.42 0.23 0.00 0.00 176.35 178.05 1xfr s THR 26 N -2.28 1.88 -0.91 5.49 -4.23 -1.26 -4.64 115.64 109.69 1xfr s THR 26 Ca 0.40 -1.32 0.25 0.00 -1.18 0.00 0.00 61.69 59.83 1xfr s THR 26 Cb -0.06 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.61 1xfr s THR 26 CO 0.26 0.00 1.43 -0.90 -0.54 0.00 0.00 174.62 174.87 1xfr n ASP 27 N -1.90 0.50 0.25 3.99 5.75 -1.26 -3.92 116.55 119.96 1xfr n ASP 27 Ca 0.04 -0.10 0.11 0.00 -0.01 0.00 0.00 54.79 54.83 1xfr n ASP 27 Cb 0.63 0.18 0.65 0.00 -1.03 0.00 0.00 41.12 41.55 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 2.88 1.33 -0.01 2.12 0.00 -2.01 -0.56 119.26 123.01 1xfr h ALA 28 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1xfr h ALA 28 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xfr h ALA 28 CO 0.00 0.19 -0.22 -0.84 0.00 0.00 0.00 179.25 178.38 1xfr h ILE 29 N 0.00 1.17 -0.37 0.00 3.07 -1.95 -2.55 117.51 116.87 1xfr h ILE 29 Ca -0.00 -0.80 -0.09 0.00 1.55 0.00 0.00 64.86 65.52 1xfr h ILE 29 Cb 0.38 1.41 -0.02 0.00 -0.27 0.00 0.00 36.82 38.32 1xfr h ILE 29 CO 0.02 0.23 -0.15 -1.13 -1.05 0.00 0.00 178.15 176.06 1xfr h ASN 30 N 0.02 0.67 -0.63 2.16 -0.73 -1.32 -0.35 115.58 115.40 1xfr h ASN 30 Ca 0.00 -0.21 -0.07 0.00 1.87 0.00 0.00 56.30 57.90 1xfr h ASN 30 Cb 0.41 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 1xfr h ASN 30 CO 0.03 0.84 0.14 -0.08 -0.37 0.00 0.00 177.43 177.98 1xfr h GLU 31 N 0.61 1.03 0.56 6.67 4.81 -1.38 0.32 114.58 127.20 1xfr h GLU 31 Ca 0.10 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1xfr h GLU 31 Cb 0.61 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1xfr h GLU 31 CO 0.04 0.94 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.54 1xfr h ASP 32 N 0.95 -0.66 -0.91 1.04 5.19 -1.07 0.02 116.42 120.98 1xfr h ASP 32 Ca 0.20 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1xfr h ASP 32 Cb 0.39 0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 1xfr h ASP 32 CO 0.01 -0.46 0.53 -0.26 -3.12 0.00 0.00 179.24 175.93 1xfr h PHE 33 N -0.76 1.23 -0.76 4.55 0.04 -1.04 0.44 116.94 120.64 1xfr h PHE 33 Ca -0.07 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 1xfr h PHE 33 Cb 0.59 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 1xfr h PHE 33 CO -0.04 0.83 0.36 -0.92 -0.60 0.00 0.00 178.31 177.93 1xfr h TYR 34 N 1.27 1.10 -0.62 -0.55 3.20 -0.81 -2.86 116.97 117.69 1xfr h TYR 34 Ca 0.32 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1xfr h TYR 34 Cb -0.01 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 37.92 1xfr h TYR 34 CO 0.01 0.80 0.00 0.09 -1.64 0.00 0.00 178.16 177.42 1xfr n ASN 35 N -4.31 4.20 0.21 -2.11 3.02 -0.02 -4.62 115.26 111.64 1xfr n ASN 35 Ca 0.07 -2.29 0.05 0.00 -0.03 0.00 0.00 54.58 52.38 1xfr n ASN 35 Cb 0.14 -0.53 0.45 0.00 -0.61 0.00 0.00 39.78 39.24 1xfr n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xfr h PHE 36 N 3.84 0.00 -0.90 3.10 3.04 -0.68 -2.50 116.94 122.84 1xfr h PHE 36 Ca 0.00 0.00 -0.53 0.00 3.98 0.00 0.00 57.97 61.42 1xfr h PHE 36 Cb 1.23 0.00 -0.28 0.00 2.56 0.00 0.00 35.95 39.46 1xfr h PHE 36 CO 0.64 0.27 0.55 0.91 -2.02 0.00 0.00 178.31 178.66 1xfr n TRP 37 N -4.15 2.84 -0.60 0.41 7.02 -1.26 -4.98 117.44 116.72 1xfr n TRP 37 Ca -0.02 -2.23 -0.05 0.00 -1.02 0.00 0.00 57.50 54.18 1xfr n TRP 37 Cb 0.32 -1.02 0.04 0.00 -2.42 0.00 0.00 31.31 28.23 1xfr n TRP 37 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xfr n LYS 38 N -1.05 -1.30 -0.35 -0.99 5.02 -0.94 -5.03 118.16 113.52 1xfr n LYS 38 Ca 0.56 -0.27 0.08 0.00 -2.02 0.00 0.00 58.31 56.66 1xfr n LYS 38 Cb 1.21 -0.25 0.17 0.00 -0.02 0.00 0.00 35.03 36.14 1xfr n LYS 38 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1xfr n GLU 39 N -1.99 1.37 0.00 1.97 0.00 -1.26 -4.73 120.64 116.00 1xfr n GLU 39 Ca 0.02 -2.87 0.00 0.00 0.00 0.00 0.00 57.16 54.31 1xfr n GLU 39 Cb 0.09 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.02 1xfr n GLU 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xfr n GLY 40 N -1.23 0.00 3.70 -1.84 0.00 -1.26 -5.17 105.19 99.40 1xfr n GLY 40 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 2.07 0.00 1.61 6.14 -1.26 -5.09 117.35 120.83 1xfr s TYR 41 Ca 0.00 1.57 -0.01 0.00 0.64 0.00 0.00 57.07 59.27 1xfr s TYR 41 Cb 0.00 -3.18 -0.01 0.00 0.42 0.00 0.00 41.96 39.19 1xfr s TYR 41 CO 0.00 -2.44 0.02 -2.00 0.64 0.00 0.00 175.55 171.77 1xfr s GLU 42 N -4.78 0.19 -0.27 4.97 2.12 -1.26 -5.07 118.70 114.61 1xfr s GLU 42 Ca 0.64 -0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.69 1xfr s GLU 42 Cb -0.20 0.07 0.03 0.00 0.26 0.00 0.00 34.13 34.29 1xfr s GLU 42 CO 0.58 -0.03 -0.01 0.42 -0.54 0.00 0.00 175.26 175.67 1xfr s ILE 43 N -0.70 3.18 0.00 -3.70 1.01 -1.26 -4.96 121.20 114.77 1xfr s ILE 43 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1xfr s ILE 43 Cb -0.05 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1xfr s ILE 43 CO -0.00 0.10 0.05 0.29 0.00 0.00 0.00 174.94 175.38 1xfr n LYS 44 N 4.71 -0.09 -2.32 2.79 5.02 -1.26 -5.04 118.16 121.98 1xfr n LYS 44 Ca -0.15 -0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.66 1xfr n LYS 44 Cb 0.46 -0.55 -0.03 0.00 -0.02 0.00 0.00 35.03 34.90 1xfr n LYS 44 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1xfr s ASN 45 N -0.00 6.91 0.51 4.39 3.84 -1.26 -4.90 114.94 124.43 1xfr s ASN 45 Ca 0.00 1.92 0.23 0.00 0.21 0.00 0.00 52.86 55.22 1xfr s ASN 45 Cb 0.00 -2.55 1.33 0.00 -0.55 0.00 0.00 41.25 39.48 1xfr s ASN 45 CO 0.00 -0.72 1.99 -0.09 -2.79 0.00 0.00 177.10 175.48 1xfr h ARG 46 N 8.05 0.08 -0.30 0.43 2.43 -1.97 -2.01 114.38 121.08 1xfr h ARG 46 Ca -0.34 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1xfr h ARG 46 Cb 1.15 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1xfr h ARG 46 CO 0.92 0.05 0.03 0.93 -1.51 0.00 0.00 179.97 180.39 1xfr h GLU 47 N 0.08 0.45 -0.23 0.20 5.08 -1.93 -0.88 114.58 117.35 1xfr h GLU 47 Ca 0.27 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 1xfr h GLU 47 Cb 0.96 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1xfr h GLU 47 CO -0.02 0.46 -0.61 1.79 -1.00 0.00 0.00 179.01 179.62 1xfr h THR 48 N 0.44 1.29 -0.25 1.13 1.35 -1.75 -1.38 112.91 113.73 1xfr h THR 48 Ca 0.10 -1.82 0.05 0.00 -0.55 0.00 0.00 66.41 64.19 1xfr h THR 48 Cb 0.25 1.76 -0.05 0.00 -1.73 0.00 0.00 68.15 68.37 1xfr h THR 48 CO 0.00 0.58 -0.07 1.23 -0.25 0.00 0.00 175.52 177.01 1xfr h GLY 49 N 0.76 0.17 1.75 5.82 0.00 -1.26 0.39 103.07 110.70 1xfr h GLY 49 Ca -0.00 0.10 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 1xfr h GLY 49 CO 0.13 -0.11 -0.41 0.00 0.00 0.00 0.00 176.54 176.16 1xfr h ALA 51 N 1.34 -0.30 -0.40 0.00 0.00 -0.44 -1.02 119.26 118.44 1xfr h ALA 51 Ca 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1xfr h ALA 51 Cb 0.82 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1xfr h ALA 51 CO 0.06 -0.69 -0.06 0.82 0.00 0.00 0.00 179.25 179.38 1xfr h ILE 52 N -0.33 0.63 -0.60 0.00 2.04 -0.83 -0.10 117.51 118.31 1xfr h ILE 52 Ca 0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1xfr h ILE 52 Cb 0.32 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1xfr h ILE 52 CO -0.04 0.01 0.31 -0.03 0.00 0.00 0.00 178.15 178.39 1xfr h MET 53 N 0.04 0.86 -0.54 2.37 4.05 -1.17 0.24 114.93 120.78 1xfr h MET 53 Ca 0.20 -0.12 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 1xfr h MET 53 Cb 0.29 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1xfr h MET 53 CO -0.38 0.68 0.01 0.00 0.23 0.00 0.00 176.91 177.44 1xfr h LEU 55 N 0.84 -0.54 -0.90 0.00 3.38 -0.60 -2.25 115.31 115.24 1xfr h LEU 55 Ca 0.16 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.39 1xfr h LEU 55 Cb 0.49 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.31 1xfr h LEU 55 CO 0.02 -0.30 0.42 -1.28 0.09 0.00 0.00 178.44 177.39 1xfr h SER 56 N -0.44 0.40 0.40 -0.43 0.87 -0.22 0.00 113.55 114.13 1xfr h SER 56 Ca 0.00 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1xfr h SER 56 Cb 0.41 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1xfr h SER 56 CO -0.05 0.05 -0.31 0.74 -0.53 0.00 0.00 176.83 176.73 1xfr h THR 57 N 0.46 0.00 0.00 2.23 2.02 -0.65 -0.88 112.91 116.09 1xfr h THR 57 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 1xfr h THR 57 Cb 1.01 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1xfr h THR 57 CO -0.49 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.51 1xfr h LYS 58 N -0.68 0.00 -0.15 6.66 1.57 -0.65 0.36 116.57 123.68 1xfr h LYS 58 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xfr h LYS 58 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1xfr h LYS 58 CO 0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.17 1xfr n LEU 59 N -2.80 0.94 -3.13 2.94 4.77 -0.13 -4.90 117.00 114.69 1xfr n LEU 59 Ca -0.01 -0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 55.30 1xfr n LEU 59 Cb 0.13 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1xfr n LEU 59 CO 0.19 0.22 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.24 1xfr n ASN 60 N -0.06 -4.88 -0.68 -1.43 5.15 0.12 -4.89 115.26 108.59 1xfr n ASN 60 Ca 0.09 -0.30 0.13 0.00 -0.60 0.00 0.00 54.58 53.90 1xfr n ASN 60 Cb 0.17 -3.99 0.27 0.00 -0.53 0.00 0.00 39.78 35.70 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 -3.80 1.85 -3.75 1.20 2.81 -0.34 -4.73 117.12 110.36 1xfr n MET 61 Ca -0.07 -1.36 -0.38 0.00 -1.81 0.00 0.00 57.70 54.08 1xfr n MET 61 Cb 0.59 -1.47 -0.12 0.00 -0.71 0.00 0.00 33.22 31.50 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 -2.09 4.29 1.34 4.03 1.02 -1.23 -1.92 118.68 124.12 1xfr s LEU 62 Ca 0.30 -1.12 -0.18 0.00 0.02 0.00 0.00 54.13 53.15 1xfr s LEU 62 Cb 0.20 -1.87 0.35 0.00 0.02 0.00 0.00 46.19 44.89 1xfr s LEU 62 CO 0.36 -0.32 0.95 1.51 0.02 0.00 0.00 176.35 178.87 1xfr s ASP 63 N 1.41 -0.45 -0.04 2.29 -4.77 -1.26 -4.78 116.67 109.07 1xfr s ASP 63 Ca -0.02 1.19 -0.01 0.00 -3.30 0.00 0.00 52.55 50.42 1xfr s ASP 63 Cb -0.19 -1.78 -0.00 0.00 -1.09 0.00 0.00 42.92 39.85 1xfr s ASP 63 CO 0.03 -5.03 2.15 -0.81 0.70 0.00 0.00 175.17 172.20 1xfr n PRO 64 N -5.45 1.18 0.00 2.11 -0.04 -1.26 -2.12 135.00 129.42 1xfr n PRO 64 Ca 0.07 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1xfr n PRO 64 Cb 0.57 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 1.46 1.79 0.00 0.54 -0.58 -1.26 -5.06 120.64 117.52 1xfr n GLU 65 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1xfr n GLU 65 Cb 0.54 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 31.08 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 0.10 1.06 2.27 0.62 0.00 -0.90 -5.04 105.19 103.29 1xfr n GLY 66 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 1.11 -1.68 1.61 3.02 -1.26 -4.85 115.26 113.21 1xfr n ASN 67 Ca 0.00 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1xfr n ASN 67 Cb 0.00 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 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 0.66 -2.31 -4.04 3.41 7.94 -1.26 -4.87 117.00 116.53 1xfr n LEU 68 Ca 0.24 3.23 -0.34 0.00 -1.11 0.00 0.00 56.01 58.04 1xfr n LEU 68 Cb 0.58 -3.22 -0.12 0.00 0.53 0.00 0.00 43.42 41.18 1xfr n LEU 68 CO 0.22 0.44 -0.12 -2.28 -1.11 0.00 0.00 177.39 174.54 1xfr s HIS 69 N -3.56 3.42 0.31 1.96 5.65 -0.81 -4.24 115.29 118.03 1xfr s HIS 69 Ca 0.00 -2.85 0.08 0.00 0.25 0.00 0.00 55.06 52.54 1xfr s HIS 69 Cb 0.00 -3.05 0.88 0.00 -1.18 0.00 0.00 32.58 29.23 1xfr s HIS 69 CO 0.00 -0.85 1.70 0.45 -0.65 0.00 0.00 174.74 175.39 1xfr h HIS 70 N 7.12 0.84 0.00 3.88 -0.00 -1.93 -0.41 115.15 124.66 1xfr h HIS 70 Ca -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1xfr h HIS 70 Cb 0.96 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1xfr h HIS 70 CO 0.59 -0.05 0.00 0.41 -0.00 0.00 0.00 177.93 178.88 1xfr n GLY 71 N -1.32 -3.17 0.34 2.45 0.00 -1.26 -1.15 105.19 101.08 1xfr n GLY 71 Ca 0.26 0.40 0.11 0.00 0.00 0.00 0.00 46.02 46.80 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 0.29 0.27 1.61 4.21 -1.58 0.12 115.58 120.50 1xfr h ASN 72 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.52 1xfr h ASN 72 Cb 0.00 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.11 1xfr h ASN 72 CO 0.00 0.18 -0.32 0.00 -1.29 0.00 0.00 177.43 176.00 1xfr h ALA 73 N 1.75 -0.65 -0.60 -0.83 0.00 -1.09 0.13 119.26 117.97 1xfr h ALA 73 Ca 0.21 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1xfr h ALA 73 Cb 0.43 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xfr h ALA 73 CO -0.05 -0.91 0.03 1.98 0.00 0.00 0.00 179.25 180.31 1xfr h MET 74 N -0.64 1.02 0.37 0.00 1.85 0.09 -2.97 114.93 114.64 1xfr h MET 74 Ca -0.01 -0.30 -0.00 0.00 -0.61 0.00 0.00 59.70 58.78 1xfr h MET 74 Cb 0.60 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1xfr h MET 74 CO -0.09 0.98 -0.37 1.49 -0.40 0.00 0.00 176.91 178.52 1xfr h GLU 75 N 0.95 -0.73 -0.62 0.39 4.22 -0.78 -2.03 114.58 115.98 1xfr h GLU 75 Ca 0.18 0.05 0.13 0.00 0.08 0.00 0.00 59.36 59.80 1xfr h GLU 75 Cb 0.50 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 1xfr h GLU 75 CO 0.02 -0.49 -0.01 0.35 -2.18 0.00 0.00 179.01 176.70 1xfr h PHE 76 N -0.76 -0.07 0.07 0.92 3.04 -0.81 0.44 116.94 119.77 1xfr h PHE 76 Ca -0.03 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xfr h PHE 76 Cb 0.68 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.32 1xfr h PHE 76 CO -0.21 -0.18 -0.08 0.00 -2.02 0.00 0.00 178.31 175.82 1xfr h ALA 77 N 1.57 -0.80 0.00 2.41 0.00 -1.44 -2.44 119.26 118.57 1xfr h ALA 77 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xfr h ALA 77 Cb 0.52 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xfr h ALA 77 CO -0.55 -0.81 0.00 0.87 0.00 0.00 0.00 179.25 178.77 1xfr h LYS 78 N -0.15 0.00 0.56 0.00 1.57 -0.53 -0.64 116.57 117.38 1xfr h LYS 78 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1xfr h LYS 78 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1xfr h LYS 78 CO -0.01 0.00 -0.27 -0.22 -0.57 0.00 0.00 179.45 178.38 1xfr h LYS 79 N 0.00 -0.73 0.00 3.15 3.64 -0.17 -3.35 116.57 119.11 1xfr h LYS 79 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1xfr h LYS 79 Cb 0.31 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1xfr h LYS 79 CO 0.00 -0.43 0.00 0.72 -2.27 0.00 0.00 179.45 177.47 1xfr n HIS 80 N -5.30 0.84 0.00 1.91 8.25 -0.61 -4.80 115.22 115.51 1xfr n HIS 80 Ca -0.11 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1xfr n HIS 80 Cb 0.33 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.45 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 0.41 -0.34 3.81 -1.41 0.00 -1.08 -4.88 105.19 101.69 1xfr n GLY 81 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.58 3.11 0.87 4.61 0.00 -0.35 -4.93 121.76 124.49 1xfr s ALA 82 Ca 0.00 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1xfr s ALA 82 Cb 0.00 -3.15 0.12 0.00 0.00 0.00 0.00 23.12 20.08 1xfr s ALA 82 CO 0.00 0.15 1.09 -0.51 0.00 0.00 0.00 175.76 176.49 1xfr s ASP 83 N -1.98 3.71 -0.03 0.00 1.01 -1.26 -4.19 116.67 113.92 1xfr s ASP 83 Ca 0.58 1.41 -0.25 0.00 0.71 0.00 0.00 52.55 54.99 1xfr s ASP 83 Cb -0.12 -2.10 -0.20 0.00 1.01 0.00 0.00 42.92 41.51 1xfr s ASP 83 CO 0.17 -2.48 1.16 -0.08 0.21 0.00 0.00 175.17 174.15 1xfr h GLU 84 N -1.44 -0.06 -0.81 8.23 4.81 -1.98 -0.62 114.58 122.71 1xfr h GLU 84 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1xfr h GLU 84 Cb 1.28 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 1xfr h GLU 84 CO 0.56 0.45 0.51 1.15 -0.73 0.00 0.00 179.01 180.95 1xfr h THR 85 N -0.61 1.22 -0.53 0.32 2.02 -1.98 0.14 112.91 113.49 1xfr h THR 85 Ca -0.01 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1xfr h THR 85 Cb 0.54 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1xfr h THR 85 CO 0.01 0.22 0.33 -0.03 0.37 0.00 0.00 175.52 176.42 1xfr h MET 86 N 1.10 0.64 -0.40 6.66 1.85 -1.94 0.59 114.93 123.43 1xfr h MET 86 Ca 0.29 -0.04 -0.11 0.00 -0.61 0.00 0.00 59.70 59.24 1xfr h MET 86 Cb -0.08 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 31.79 1xfr h MET 86 CO -0.06 0.42 -0.19 0.00 -0.40 0.00 0.00 176.91 176.69 1xfr h ALA 87 N 1.22 0.92 0.40 0.39 0.00 -0.36 0.54 119.26 122.38 1xfr h ALA 87 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xfr h ALA 87 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xfr h ALA 87 CO -0.08 0.62 -0.29 0.37 0.00 0.00 0.00 179.25 179.87 1xfr h GLN 88 N 0.67 -0.66 -0.62 0.00 -0.00 -0.22 -2.60 115.11 111.69 1xfr h GLN 88 Ca 0.10 0.04 0.11 0.00 -0.00 0.00 0.00 58.65 58.91 1xfr h GLN 88 Cb 0.69 0.15 -0.09 0.00 0.00 0.00 0.00 27.48 28.23 1xfr h GLN 88 CO 0.05 -0.44 0.16 1.96 0.00 0.00 0.00 178.83 180.56 1xfr h GLN 89 N -0.68 0.28 0.00 1.69 4.20 -0.77 0.29 115.11 120.13 1xfr h GLN 89 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1xfr h GLN 89 Cb 0.58 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1xfr h GLN 89 CO 0.01 0.19 0.02 -0.07 -0.67 0.00 0.00 178.83 178.31 1xfr h LEU 90 N 0.29 0.00 0.00 1.46 3.38 -0.58 -1.33 115.31 118.53 1xfr h LEU 90 Ca 0.33 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.06 1xfr h LEU 90 Cb 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1xfr h LEU 90 CO -0.39 0.00 -1.91 -0.38 0.09 0.00 0.00 178.44 175.85 1xfr n ILE 91 N -2.56 0.91 0.00 1.22 5.41 -0.23 -4.14 119.36 119.96 1xfr n ILE 91 Ca -0.02 -0.43 -0.03 0.00 1.00 0.00 0.00 62.75 63.27 1xfr n ILE 91 Cb 0.07 -0.91 0.23 0.00 -0.71 0.00 0.00 39.64 38.31 1xfr n ILE 91 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1xfr h ASP 92 N 0.00 0.50 -0.04 4.38 3.58 -0.08 0.47 116.42 125.23 1xfr h ASP 92 Ca -0.36 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 56.92 1xfr h ASP 92 Cb 1.66 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.57 1xfr h ASP 92 CO -0.03 0.69 -0.10 0.40 -2.88 0.00 0.00 179.24 177.32 1xfr h ILE 93 N 0.47 1.44 0.28 2.25 2.04 -1.50 -2.56 117.51 119.93 1xfr h ILE 93 Ca 0.08 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1xfr h ILE 93 Cb 0.56 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1xfr h ILE 93 CO 0.04 0.40 -0.14 0.58 0.00 0.00 0.00 178.15 179.03 1xfr h VAL 94 N -0.39 0.00 -0.21 1.67 2.07 -1.60 -1.65 116.25 116.14 1xfr h VAL 94 Ca -0.00 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1xfr h VAL 94 Cb 0.69 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1xfr h VAL 94 CO 0.02 0.00 0.19 -0.74 0.02 0.00 0.00 177.57 177.06 1xfr h HIS 95 N -0.42 0.00 0.55 1.57 -0.00 -0.25 0.19 115.15 116.79 1xfr h HIS 95 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 1xfr h HIS 95 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.71 1xfr h HIS 95 CO 0.14 0.00 -0.26 0.78 -0.00 0.00 0.00 177.93 178.58 1xfr h GLY 96 N 0.00 -0.77 1.65 5.26 0.00 -1.41 -3.29 103.07 104.51 1xfr h GLY 96 Ca 0.10 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.75 1xfr h GLY 96 CO -0.00 -0.28 0.16 0.00 0.00 0.00 0.00 176.54 176.42 1xfr n GLU 98 N -4.50 0.05 0.00 0.00 1.02 -0.05 -0.78 120.64 116.38 1xfr n GLU 98 Ca 0.02 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1xfr n GLU 98 Cb 0.18 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1xfr n GLU 98 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xfr n LYS 99 N -1.73 0.00 -0.04 3.49 4.01 -0.39 -4.86 118.16 118.64 1xfr n LYS 99 Ca -0.01 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.69 1xfr n LYS 99 Cb 0.16 -0.60 -0.04 0.00 -0.51 0.00 0.00 35.03 34.05 1xfr n LYS 99 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 1xfr h SER 100 N 0.00 0.23 -2.65 4.39 0.02 -0.65 -3.44 113.55 111.45 1xfr h SER 100 Ca 0.00 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.39 1xfr h SER 100 Cb 0.94 -0.06 0.04 0.00 0.14 0.00 0.00 62.40 63.46 1xfr h SER 100 CO 0.00 0.19 1.02 -0.89 -1.14 0.00 0.00 176.83 176.01 1xfr s THR 101 N -6.08 2.62 0.06 -2.27 2.01 0.04 -4.96 115.64 107.05 1xfr s THR 101 Ca -0.13 0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.81 1xfr s THR 101 Cb 0.08 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 1xfr s THR 101 CO 0.69 0.01 1.25 -2.16 -0.69 0.00 0.00 174.62 173.72 1xfr s PRO 102 N 2.18 4.39 0.25 4.92 0.04 -1.26 -4.95 135.00 140.57 1xfr s PRO 102 Ca 0.76 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.68 1xfr s PRO 102 Cb -0.44 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 30.73 1xfr s PRO 102 CO 0.34 -0.33 0.25 0.00 0.04 0.00 0.00 177.00 177.29 1xfr n ALA 103 N 4.12 0.35 -2.30 8.56 0.00 -1.26 -4.96 120.51 125.02 1xfr n ALA 103 Ca 0.10 -1.40 -0.23 0.00 0.00 0.00 0.00 53.44 51.91 1xfr n ALA 103 Cb 0.45 1.13 -0.04 0.00 0.00 0.00 0.00 19.45 21.00 1xfr n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xfr s ASN 104 N -2.71 4.81 0.28 0.00 2.20 -1.26 -5.00 114.94 113.26 1xfr s ASN 104 Ca 0.28 -0.93 0.12 0.00 -0.94 0.00 0.00 52.86 51.39 1xfr s ASN 104 Cb 0.01 -0.35 0.65 0.00 -2.00 0.00 0.00 41.25 39.56 1xfr s ASN 104 CO 0.20 -0.72 1.26 -0.67 -2.94 0.00 0.00 177.10 174.23 1xfr n ASP 105 N -1.52 0.31 -4.56 3.54 2.03 -1.26 -4.30 116.55 110.80 1xfr n ASP 105 Ca 0.02 0.54 -0.30 0.00 0.52 0.00 0.00 54.79 55.57 1xfr n ASP 105 Cb 0.63 -0.51 -0.04 0.00 -0.72 0.00 0.00 41.12 40.48 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 -3.36 5.00 0.61 1.67 -1.08 -1.26 -4.85 116.67 113.40 1xfr s ASP 106 Ca -0.01 -0.11 0.30 0.00 -0.52 0.00 0.00 52.55 52.20 1xfr s ASP 106 Cb 0.03 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.59 1xfr s ASP 106 CO 0.11 -2.75 2.01 0.11 0.52 0.00 0.00 175.17 175.17 1xfr h LYS 107 N 13.36 0.00 0.61 4.34 1.79 -1.99 0.81 116.57 135.49 1xfr h LYS 107 Ca -0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1xfr h LYS 107 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1xfr h LYS 107 CO 1.19 0.00 -0.33 0.00 -1.08 0.00 0.00 179.45 179.23 1xfr h ILE 109 N -0.88 1.25 0.05 0.00 2.04 -1.14 -1.25 117.51 117.58 1xfr h ILE 109 Ca -0.08 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1xfr h ILE 109 Cb 0.69 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1xfr h ILE 109 CO 0.11 0.34 -0.43 -0.25 0.00 0.00 0.00 178.15 177.92 1xfr h TRP 110 N 0.95 -1.24 -0.17 1.37 7.01 -1.30 -0.72 115.95 121.84 1xfr h TRP 110 Ca 0.21 0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.21 1xfr h TRP 110 Cb 0.31 0.54 -0.01 0.00 -2.10 0.00 0.00 29.16 27.90 1xfr h TRP 110 CO 0.02 -0.47 -0.06 1.15 -2.79 0.00 0.00 178.44 176.30 1xfr h THR 111 N -0.57 1.15 -0.41 2.65 2.02 -1.12 0.12 112.91 116.75 1xfr h THR 111 Ca 0.00 -0.62 0.07 0.00 0.77 0.00 0.00 66.41 66.63 1xfr h THR 111 Cb 0.59 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 1xfr h THR 111 CO -0.26 0.20 0.06 0.25 0.37 0.00 0.00 175.52 176.14 1xfr h LEU 112 N 0.25 -0.04 -0.25 2.58 5.85 -0.99 -1.24 115.31 121.48 1xfr h LEU 112 Ca 0.06 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1xfr h LEU 112 Cb 0.27 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1xfr h LEU 112 CO 0.01 0.01 0.03 1.23 -0.34 0.00 0.00 178.44 179.39 1xfr h GLY 113 N 0.18 0.45 0.98 3.75 0.00 0.72 -1.92 103.07 107.24 1xfr h GLY 113 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1xfr h GLY 113 CO -0.28 0.29 0.13 -2.08 0.00 0.00 0.00 176.54 174.60 1xfr h VAL 114 N 0.22 1.07 -0.19 4.60 2.07 -0.98 -0.86 116.25 122.19 1xfr h VAL 114 Ca 0.07 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1xfr h VAL 114 Cb 0.35 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1xfr h VAL 114 CO 0.01 0.07 -0.16 0.00 0.02 0.00 0.00 177.57 177.50 1xfr h ALA 115 N 1.05 1.38 -0.12 1.67 0.00 -1.21 -2.62 119.26 119.41 1xfr h ALA 115 Ca 0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1xfr h ALA 115 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xfr h ALA 115 CO -0.02 0.43 -0.27 1.15 0.00 0.00 0.00 179.25 180.54 1xfr h THR 116 N 0.29 1.38 -0.65 0.00 2.02 -0.73 0.78 112.91 116.00 1xfr h THR 116 Ca 0.06 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 1xfr h THR 116 Cb 0.47 2.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1xfr h THR 116 CO 0.03 0.46 0.33 0.00 0.37 0.00 0.00 175.52 176.71 1xfr h PHE 118 N 0.89 0.22 -0.50 0.00 3.04 -1.40 -3.12 116.94 116.09 1xfr h PHE 118 Ca 0.23 0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.29 1xfr h PHE 118 Cb 0.08 -0.06 -0.10 0.00 2.56 0.00 0.00 35.95 38.43 1xfr h PHE 118 CO -0.00 0.12 -0.17 -0.22 -2.02 0.00 0.00 178.31 176.02 1xfr h LYS 119 N 0.26 -0.05 -0.96 1.11 3.64 -0.58 -0.05 116.57 119.94 1xfr h LYS 119 Ca 0.12 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.67 1xfr h LYS 119 Cb 0.06 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.80 1xfr h LYS 119 CO -0.10 -0.03 0.61 0.00 -2.27 0.00 0.00 179.45 177.65 1xfr h ALA 120 N 1.38 1.79 -0.64 5.00 0.00 -1.50 -1.01 119.26 124.28 1xfr h ALA 120 Ca 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1xfr h ALA 120 Cb 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xfr h ALA 120 CO -0.54 -0.10 0.30 0.93 0.00 0.00 0.00 179.25 179.85 1xfr h GLU 121 N 0.72 0.92 -0.76 0.00 4.39 -1.07 -2.59 114.58 116.19 1xfr h GLU 121 Ca 0.52 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 60.11 1xfr h GLU 121 Cb 0.85 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 1xfr h GLU 121 CO -0.28 0.74 0.50 0.82 -1.16 0.00 0.00 179.01 179.62 1xfr h ILE 122 N 0.88 1.14 0.25 3.13 1.08 -1.05 0.22 117.51 123.15 1xfr h ILE 122 Ca 0.22 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1xfr h ILE 122 Cb 0.13 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1xfr h ILE 122 CO -0.03 0.17 -0.12 0.45 -0.69 0.00 0.00 178.15 177.94 1xfr h HIS 123 N 0.95 -0.31 -0.46 1.37 3.86 -1.29 -0.59 115.15 118.68 1xfr h HIS 123 Ca 0.30 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.52 1xfr h HIS 123 Cb 0.01 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 1xfr h HIS 123 CO -0.00 -0.09 0.27 0.87 0.86 0.00 0.00 177.93 179.84 1xfr h LYS 124 N -0.48 0.53 0.00 2.45 6.56 -0.89 -1.59 116.57 123.15 1xfr h LYS 124 Ca -0.03 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1xfr h LYS 124 Cb 0.36 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1xfr h LYS 124 CO 0.06 0.35 0.00 1.28 -2.06 0.00 0.00 179.45 179.07 1xfr n LEU 125 N -4.83 0.05 -2.70 2.94 4.77 0.67 -4.87 117.00 113.02 1xfr n LEU 125 Ca 0.03 0.52 -0.20 0.00 -0.03 0.00 0.00 56.01 56.32 1xfr n LEU 125 Cb 0.07 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1xfr n LEU 125 CO 0.32 -0.45 -0.01 -3.20 -1.33 0.00 0.00 177.39 172.72 1xfr n ASN 126 N -1.56 -5.67 -1.11 -1.43 5.15 -0.60 -4.91 115.26 105.13 1xfr n ASN 126 Ca 0.01 -0.25 0.03 0.00 -0.60 0.00 0.00 54.58 53.78 1xfr n ASN 126 Cb 0.06 -4.51 0.19 0.00 -0.53 0.00 0.00 39.78 34.99 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 -4.38 0.93 -0.54 1.20 8.01 -0.29 -4.71 117.44 117.67 1xfr n TRP 127 Ca -0.11 -0.33 0.00 0.00 -1.31 0.00 0.00 57.50 55.76 1xfr n TRP 127 Cb 0.61 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68