#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 1.18 -0.38 1.43 4.15 -1.90 -2.40 115.11 117.19 1xfr h GLN 2 Ca 0.00 -0.18 0.07 0.00 0.77 0.00 0.00 58.65 59.31 1xfr h GLN 2 Cb 0.00 -0.21 -0.07 0.00 0.21 0.00 0.00 27.48 27.41 1xfr h GLN 2 CO 0.00 0.92 -0.04 1.49 -1.93 0.00 0.00 178.83 179.27 1xfr h GLU 3 N 1.16 0.06 -0.13 1.69 4.22 -1.99 -0.38 114.58 119.20 1xfr h GLU 3 Ca 0.28 -0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.65 1xfr h GLU 3 Cb 0.13 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xfr h GLU 3 CO -0.03 0.04 -0.20 0.28 -2.18 0.00 0.00 179.01 176.91 1xfr h VAL 4 N 0.06 1.21 -0.11 0.32 2.07 -1.79 0.66 116.25 118.67 1xfr h VAL 4 Ca 0.19 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1xfr h VAL 4 Cb 0.27 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1xfr h VAL 4 CO -0.35 0.29 0.07 -0.03 0.02 0.00 0.00 177.57 177.57 1xfr h MET 5 N 0.20 0.15 -0.16 1.57 4.05 -0.64 0.19 114.93 120.29 1xfr h MET 5 Ca 0.04 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1xfr h MET 5 Cb 0.48 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 1xfr h MET 5 CO 0.03 0.14 -0.05 0.87 0.23 0.00 0.00 176.91 178.13 1xfr h LYS 6 N 0.12 -0.02 -0.42 0.39 1.79 -0.57 -0.51 116.57 117.35 1xfr h LYS 6 Ca 0.04 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 1xfr h LYS 6 Cb 0.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1xfr h LYS 6 CO -0.01 -0.01 0.05 -0.97 -1.08 0.00 0.00 179.45 177.43 1xfr h ASN 7 N -0.02 0.69 0.25 0.86 -1.24 -0.68 -1.53 115.58 113.91 1xfr h ASN 7 Ca 0.08 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 1xfr h ASN 7 Cb 0.14 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 1xfr h ASN 7 CO -0.18 0.79 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.53 1xfr h LEU 8 N 0.56 -0.37 -1.84 0.34 3.38 -0.52 -1.52 115.31 115.34 1xfr h LEU 8 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1xfr h LEU 8 Cb 0.40 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xfr h LEU 8 CO 0.01 -0.24 -0.09 0.77 0.09 0.00 0.00 178.44 178.98 1xfr h SER 9 N -0.38 0.00 0.25 -0.43 4.64 -0.97 0.23 113.55 116.89 1xfr h SER 9 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1xfr h SER 9 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1xfr h SER 9 CO 0.03 0.09 -0.12 0.25 -0.87 0.00 0.00 176.83 176.21 1xfr h LEU 10 N 0.00 -0.29 -0.73 5.97 5.85 -1.03 -3.14 115.31 121.95 1xfr h LEU 10 Ca -0.00 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1xfr h LEU 10 Cb 0.39 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1xfr h LEU 10 CO 0.01 0.21 0.20 0.78 -0.34 0.00 0.00 178.44 179.31 1xfr h ASN 11 N -1.00 1.08 -0.50 1.25 2.35 -1.08 -2.38 115.58 115.30 1xfr h ASN 11 Ca -0.03 -0.22 0.09 0.00 -0.55 0.00 0.00 56.30 55.59 1xfr h ASN 11 Cb 0.44 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.44 1xfr h ASN 11 CO 0.06 1.02 0.04 0.15 -1.65 0.00 0.00 177.43 177.04 1xfr h PHE 12 N 1.09 0.04 -0.15 1.19 3.04 -1.08 -1.93 116.94 119.13 1xfr h PHE 12 Ca 0.23 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.21 1xfr h PHE 12 Cb 0.34 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.91 1xfr h PHE 12 CO 0.03 -0.08 0.01 0.41 -2.02 0.00 0.00 178.31 176.66 1xfr n GLY 13 N -1.30 1.91 0.24 2.40 0.00 -0.91 -4.36 105.19 103.17 1xfr n GLY 13 Ca 0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 1.01 -0.48 -0.79 1.61 1.79 -1.21 -2.93 116.57 115.58 1xfr h LYS 14 Ca 0.01 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1xfr h LYS 14 Cb 0.91 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1xfr h LYS 14 CO 0.13 -0.32 0.00 0.00 -1.08 0.00 0.00 179.45 178.19 1xfr n ALA 15 N -2.50 2.00 -0.03 3.86 0.00 -1.26 -4.34 120.51 118.24 1xfr n ALA 15 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1xfr n ALA 15 Cb 0.22 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 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 0.56 -0.39 -0.50 0.00 5.85 -1.81 -0.28 115.31 118.74 1xfr h LEU 16 Ca 0.00 0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.64 1xfr h LEU 16 Cb 0.39 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1xfr h LEU 16 CO 0.00 -0.15 -0.65 -0.78 -0.34 0.00 0.00 178.44 176.52 1xfr h ASP 17 N -0.11 0.46 0.46 1.25 3.58 -1.85 0.13 116.42 120.33 1xfr h ASP 17 Ca 0.11 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 1xfr h ASP 17 Cb 0.28 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1xfr h ASP 17 CO -0.27 0.98 -0.43 -0.33 -2.88 0.00 0.00 179.24 176.31 1xfr h GLU 18 N 0.28 -0.87 -0.64 0.28 4.39 -1.84 -0.77 114.58 115.42 1xfr h GLU 18 Ca -0.01 0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.85 1xfr h GLU 18 Cb 1.20 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 30.00 1xfr h GLU 18 CO 0.11 -0.58 0.43 0.00 -1.16 0.00 0.00 179.01 177.81 1xfr h LYS 20 N 0.43 -1.21 -0.61 0.00 1.57 -0.31 -2.48 116.57 113.96 1xfr h LYS 20 Ca 0.30 0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 59.08 1xfr h LYS 20 Cb 0.60 0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1xfr h LYS 20 CO -0.09 -0.81 0.04 0.87 -0.57 0.00 0.00 179.45 178.90 1xfr h LYS 21 N -1.30 1.04 -0.72 3.15 1.57 -0.52 0.24 116.57 120.02 1xfr h LYS 21 Ca -0.13 -0.30 0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1xfr h LYS 21 Cb 0.96 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.08 1xfr h LYS 21 CO 0.21 0.99 0.33 0.93 -0.57 0.00 0.00 179.45 181.34 1xfr h GLU 22 N 0.96 0.52 -0.22 3.15 4.39 -0.75 -2.85 114.58 119.79 1xfr h GLU 22 Ca 0.18 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1xfr h GLU 22 Cb 0.49 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1xfr h GLU 22 CO 0.02 0.35 0.00 -1.33 -1.16 0.00 0.00 179.01 176.89 1xfr n MET 23 N -4.92 2.37 -3.41 2.33 2.81 -0.94 -5.02 117.12 110.35 1xfr n MET 23 Ca 0.12 -1.75 -0.23 0.00 -1.81 0.00 0.00 57.70 54.03 1xfr n MET 23 Cb 0.32 -1.20 0.02 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 0.33 -6.03 -4.15 2.03 -1.04 -0.14 -5.05 114.28 100.23 1xfr n THR 24 Ca 0.08 0.14 -0.23 0.00 -2.04 0.00 0.00 64.05 62.00 1xfr n THR 24 Cb 0.35 -4.57 -0.07 0.00 -1.82 0.00 0.00 70.33 64.23 1xfr n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xfr s LEU 25 N -3.55 3.24 0.47 -4.42 1.43 0.66 -5.01 118.68 111.50 1xfr s LEU 25 Ca 0.17 -0.77 0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1xfr s LEU 25 Cb -0.03 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1xfr s LEU 25 CO 0.84 -0.25 0.52 0.42 0.23 0.00 0.00 176.35 178.12 1xfr s THR 26 N -2.42 2.47 0.27 5.49 -4.23 -1.26 -4.60 115.64 111.36 1xfr s THR 26 Ca 0.36 -1.21 0.14 0.00 -1.18 0.00 0.00 61.69 59.80 1xfr s THR 26 Cb -0.03 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.19 1xfr s THR 26 CO 0.22 0.00 1.70 -2.24 -0.54 0.00 0.00 174.62 173.76 1xfr h ASP 27 N 0.70 0.00 -0.07 3.99 2.03 -2.00 -3.30 116.42 117.76 1xfr h ASP 27 Ca -0.38 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 55.94 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 0.51 0.49 0.28 0.00 -1.03 0.00 0.00 179.24 179.49 1xfr h ALA 28 N 1.51 1.44 0.00 4.15 0.00 -2.02 0.11 119.26 124.44 1xfr h ALA 28 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xfr h ALA 28 Cb 0.93 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xfr h ALA 28 CO 0.06 -0.32 -0.02 -0.84 0.00 0.00 0.00 179.25 178.14 1xfr h ILE 29 N 0.00 0.07 -0.43 0.00 3.07 -1.97 0.22 117.51 118.47 1xfr h ILE 29 Ca 0.03 -0.31 -0.01 0.00 1.55 0.00 0.00 64.86 66.13 1xfr h ILE 29 Cb 0.60 1.29 -0.02 0.00 -0.27 0.00 0.00 36.82 38.41 1xfr h ILE 29 CO -0.00 0.01 0.24 -0.55 -1.05 0.00 0.00 178.15 176.81 1xfr h ASN 30 N 0.00 0.51 0.22 2.16 7.08 -1.05 -0.65 115.58 123.85 1xfr h ASN 30 Ca -0.00 -0.03 -0.18 0.00 -3.08 0.00 0.00 56.30 53.01 1xfr h ASN 30 Cb 0.29 -0.13 -0.01 0.00 -2.08 0.00 0.00 38.32 36.39 1xfr h ASN 30 CO 0.00 0.41 -0.69 1.05 -2.08 0.00 0.00 177.43 176.13 1xfr h GLU 31 N 0.59 0.42 0.64 4.14 4.11 -1.14 0.13 114.58 123.48 1xfr h GLU 31 Ca 0.15 -0.32 -0.03 0.00 0.07 0.00 0.00 59.36 59.23 1xfr h GLU 31 Cb 0.01 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xfr h GLU 31 CO -0.03 0.95 -0.31 0.22 0.07 0.00 0.00 179.01 179.92 1xfr h ASP 32 N 0.29 -0.73 0.18 3.06 1.82 -1.39 -1.62 116.42 118.03 1xfr h ASP 32 Ca -0.02 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 1xfr h ASP 32 Cb 1.25 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.44 1xfr h ASP 32 CO 0.12 -0.51 -0.17 -0.26 -1.61 0.00 0.00 179.24 176.81 1xfr h PHE 33 N -0.89 0.00 0.61 0.28 0.04 -0.96 0.52 116.94 116.54 1xfr h PHE 33 Ca -0.09 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 1xfr h PHE 33 Cb 0.66 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.82 1xfr h PHE 33 CO 0.08 0.17 -0.29 -0.92 -0.60 0.00 0.00 178.31 176.75 1xfr h TYR 34 N 0.00 -0.76 -0.03 -0.55 3.20 -0.84 -3.31 116.97 114.69 1xfr h TYR 34 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1xfr h TYR 34 Cb 0.31 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1xfr h TYR 34 CO 0.00 -0.44 0.00 0.09 -1.64 0.00 0.00 178.16 176.17 1xfr n ASN 35 N -5.33 0.14 -0.10 -2.11 3.02 -0.45 -3.90 115.26 106.53 1xfr n ASN 35 Ca -0.11 -1.98 0.07 0.00 -0.03 0.00 0.00 54.58 52.53 1xfr n ASN 35 Cb 0.34 -0.02 0.41 0.00 -0.61 0.00 0.00 39.78 39.90 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 0.16 0.60 -0.53 3.10 3.04 -0.11 -0.96 116.94 122.24 1xfr h PHE 36 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xfr h PHE 36 Cb 0.04 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.35 1xfr h PHE 36 CO 0.02 0.33 0.00 0.91 -2.02 0.00 0.00 178.31 177.55 1xfr n TRP 37 N -4.47 1.90 -1.16 0.41 7.02 -1.25 -4.94 117.44 114.94 1xfr n TRP 37 Ca 0.08 -0.75 -0.30 0.00 -1.02 0.00 0.00 57.50 55.51 1xfr n TRP 37 Cb 0.20 -0.48 0.22 0.00 -2.42 0.00 0.00 31.31 28.84 1xfr n TRP 37 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1xfr s LYS 38 N -2.75 -0.80 0.00 -0.99 1.02 -0.36 -4.92 119.74 110.93 1xfr s LYS 38 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.52 1xfr s LYS 38 Cb 0.40 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 1xfr s LYS 38 CO 0.15 -3.45 1.05 -0.85 -0.92 0.00 0.00 175.35 171.33 1xfr n GLU 39 N -4.58 0.85 0.00 1.68 0.28 -1.26 -4.21 120.64 113.40 1xfr n GLU 39 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 1xfr n GLU 39 Cb 0.59 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 32.39 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 0.80 -0.04 3.38 -1.84 0.00 -1.26 -5.13 105.19 101.10 1xfr n GLY 40 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xfr n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xfr n TYR 41 N 0.00 -1.53 -4.64 1.61 4.19 -1.26 -5.00 117.16 110.54 1xfr n TYR 41 Ca 0.00 0.43 -0.34 0.00 3.31 0.00 0.00 57.90 61.30 1xfr n TYR 41 Cb 0.00 -1.85 -0.12 0.00 0.49 0.00 0.00 39.34 37.86 1xfr n TYR 41 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1xfr s GLU 42 N -1.78 3.02 -0.42 2.98 2.02 -1.26 -4.99 118.70 118.27 1xfr s GLU 42 Ca 0.64 -0.58 -0.08 0.00 0.02 0.00 0.00 54.97 54.96 1xfr s GLU 42 Cb -0.45 -2.64 0.08 0.00 0.10 0.00 0.00 34.13 31.22 1xfr s GLU 42 CO 0.59 0.49 0.25 0.42 0.02 0.00 0.00 175.26 177.04 1xfr s ILE 43 N -0.36 4.11 0.00 -1.63 1.01 -1.26 -4.89 121.20 118.19 1xfr s ILE 43 Ca 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.23 1xfr s ILE 43 Cb -0.12 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1xfr s ILE 43 CO 0.02 -0.52 0.37 0.29 0.00 0.00 0.00 174.94 175.11 1xfr n LYS 44 N 4.88 -0.04 -1.95 2.79 5.02 -1.26 -5.03 118.16 122.57 1xfr n LYS 44 Ca -0.09 -0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 55.34 1xfr n LYS 44 Cb 0.43 -0.76 -0.03 0.00 -0.02 0.00 0.00 35.03 34.65 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 -0.12 6.62 0.40 4.39 3.84 -1.26 -4.90 114.94 123.91 1xfr s ASN 45 Ca 0.00 2.46 0.15 0.00 0.21 0.00 0.00 52.86 55.67 1xfr s ASN 45 Cb 0.00 -2.56 0.82 0.00 -0.55 0.00 0.00 41.25 38.96 1xfr s ASN 45 CO 0.00 -0.87 1.86 -0.09 -2.79 0.00 0.00 177.10 175.21 1xfr h ARG 46 N 8.28 0.00 -0.67 0.43 2.43 -1.97 -3.13 114.38 119.75 1xfr h ARG 46 Ca -0.42 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1xfr h ARG 46 Cb 1.20 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 1xfr h ARG 46 CO 0.93 0.32 0.35 0.93 -1.51 0.00 0.00 179.97 180.99 1xfr h GLU 47 N 0.00 0.92 -0.13 0.20 5.08 -1.94 -1.56 114.58 117.15 1xfr h GLU 47 Ca -0.00 -0.10 -0.23 0.00 -1.00 0.00 0.00 59.36 58.02 1xfr h GLU 47 Cb 0.60 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1xfr h GLU 47 CO 0.04 0.69 -0.82 1.79 -1.00 0.00 0.00 179.01 179.71 1xfr h THR 48 N 0.93 1.27 -0.71 1.13 1.35 -1.94 -1.49 112.91 113.46 1xfr h THR 48 Ca 0.23 -2.01 0.15 0.00 -0.55 0.00 0.00 66.41 64.23 1xfr h THR 48 Cb 0.04 2.04 -0.10 0.00 -1.73 0.00 0.00 68.15 68.40 1xfr h THR 48 CO -0.04 0.64 0.18 1.23 -0.25 0.00 0.00 175.52 177.28 1xfr h GLY 49 N 0.53 0.98 1.44 5.82 0.00 -1.44 -0.73 103.07 109.66 1xfr h GLY 49 Ca -0.07 -0.05 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 1xfr h GLY 49 CO 0.17 -0.16 -0.61 0.00 0.00 0.00 0.00 176.54 175.93 1xfr h ALA 51 N 0.90 0.39 -0.15 0.00 0.00 -0.26 -0.35 119.26 119.78 1xfr h ALA 51 Ca -0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1xfr h ALA 51 Cb 1.18 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1xfr h ALA 51 CO 0.12 -0.19 -0.33 0.82 0.00 0.00 0.00 179.25 179.67 1xfr h ILE 52 N 0.36 0.27 -0.83 0.00 2.04 -1.16 -0.50 117.51 117.69 1xfr h ILE 52 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1xfr h ILE 52 Cb 0.01 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1xfr h ILE 52 CO -0.07 0.00 0.49 -0.03 0.00 0.00 0.00 178.15 178.55 1xfr h MET 53 N -0.39 1.14 -0.37 2.37 4.05 -1.19 0.06 114.93 120.60 1xfr h MET 53 Ca 0.10 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 1xfr h MET 53 Cb 0.55 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1xfr h MET 53 CO -0.37 0.81 0.22 0.00 0.23 0.00 0.00 176.91 177.80 1xfr h LEU 55 N 0.45 0.96 -0.27 0.00 3.38 -0.38 -0.18 115.31 119.26 1xfr h LEU 55 Ca 0.15 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1xfr h LEU 55 Cb 0.00 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 1xfr h LEU 55 CO -0.07 0.93 -0.17 0.28 0.09 0.00 0.00 178.44 179.50 1xfr h SER 56 N 0.97 -0.55 0.20 -0.43 0.02 -0.49 0.58 113.55 113.84 1xfr h SER 56 Ca 0.21 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1xfr h SER 56 Cb 0.35 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 1xfr h SER 56 CO 0.00 -0.21 -0.52 0.74 -1.14 0.00 0.00 176.83 175.71 1xfr h THR 57 N -0.14 0.01 0.00 -2.27 2.02 -0.77 0.19 112.91 111.95 1xfr h THR 57 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1xfr h THR 57 Cb 0.37 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1xfr h THR 57 CO -0.36 0.00 0.00 0.11 0.37 0.00 0.00 175.52 175.64 1xfr h LYS 58 N -0.81 0.00 -0.01 6.66 1.57 -0.43 -0.31 116.57 123.25 1xfr h LYS 58 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xfr h LYS 58 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1xfr h LYS 58 CO -0.24 0.00 -0.10 1.28 -0.57 0.00 0.00 179.45 179.82 1xfr n LEU 59 N -2.54 0.82 -3.39 2.94 4.77 0.14 -4.96 117.00 114.77 1xfr n LEU 59 Ca 0.00 -0.19 -0.30 0.00 -0.03 0.00 0.00 56.01 55.49 1xfr n LEU 59 Cb 0.18 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1xfr n LEU 59 CO 0.19 0.14 -0.29 -3.20 -1.33 0.00 0.00 177.39 172.91 1xfr n ASN 60 N -0.58 -5.92 0.00 -1.43 5.15 -0.13 -5.00 115.26 107.36 1xfr n ASN 60 Ca 0.16 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1xfr n ASN 60 Cb 0.29 -2.02 0.00 0.00 -0.53 0.00 0.00 39.78 37.53 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 0.06 1.41 -4.51 1.20 2.81 0.66 -4.65 117.12 114.10 1xfr n MET 61 Ca -0.05 -1.04 -0.33 0.00 -1.81 0.00 0.00 57.70 54.46 1xfr n MET 61 Cb 0.63 -0.93 -0.11 0.00 -0.71 0.00 0.00 33.22 32.10 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 -0.57 3.23 0.99 4.03 1.43 -1.26 -1.94 118.68 124.59 1xfr s LEU 62 Ca 0.00 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 1xfr s LEU 62 Cb 0.00 -1.78 0.18 0.00 0.03 0.00 0.00 46.19 44.62 1xfr s LEU 62 CO 0.00 0.32 1.11 1.51 0.23 0.00 0.00 176.35 179.52 1xfr s ASP 63 N -1.14 2.76 -0.15 2.29 -4.77 0.38 -4.52 116.67 111.52 1xfr s ASP 63 Ca 0.15 1.07 -0.01 0.00 -3.30 0.00 0.00 52.55 50.46 1xfr s ASP 63 Cb -0.11 -1.68 0.05 0.00 -1.09 0.00 0.00 42.92 40.09 1xfr s ASP 63 CO 0.05 -3.03 2.24 -0.81 0.70 0.00 0.00 175.17 174.32 1xfr n PRO 64 N -4.09 1.51 0.00 2.11 -0.04 -1.26 -2.81 135.00 130.42 1xfr n PRO 64 Ca 0.06 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1xfr n PRO 64 Cb 0.58 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.13 2.26 0.00 0.54 -0.58 -1.26 -5.06 120.64 117.68 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 0.58 -0.31 0.00 0.00 -0.57 0.00 0.00 31.44 31.14 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 0.05 0.95 3.88 0.62 0.00 -1.12 -5.13 105.19 104.43 1xfr n GLY 66 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xfr n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xfr s ASN 67 N -0.91 3.80 0.32 1.61 0.01 -1.26 -4.85 114.94 113.66 1xfr s ASN 67 Ca 0.00 0.66 -0.28 0.00 -0.71 0.00 0.00 52.86 52.53 1xfr s ASN 67 Cb 0.00 -1.03 -0.09 0.00 0.41 0.00 0.00 41.25 40.53 1xfr s ASN 67 CO 0.00 -2.34 1.15 -0.22 -1.51 0.00 0.00 177.10 174.18 1xfr s LEU 68 N -5.80 4.43 -0.50 0.60 0.20 -1.26 -0.47 118.68 115.88 1xfr s LEU 68 Ca 0.66 2.36 -0.26 0.00 0.69 0.00 0.00 54.13 57.58 1xfr s LEU 68 Cb -0.10 -3.74 0.03 0.00 -0.43 0.00 0.00 46.19 41.96 1xfr s LEU 68 CO 0.51 -0.34 0.97 -2.28 -0.29 0.00 0.00 176.35 174.91 1xfr s HIS 69 N -1.24 2.85 0.36 5.38 5.65 -0.82 -4.42 115.29 123.05 1xfr s HIS 69 Ca 0.49 0.30 0.04 0.00 0.25 0.00 0.00 55.06 56.14 1xfr s HIS 69 Cb -0.33 -4.08 0.70 0.00 -1.18 0.00 0.00 32.58 27.70 1xfr s HIS 69 CO 0.42 -1.22 1.98 0.45 -0.65 0.00 0.00 174.74 175.73 1xfr h HIS 70 N 9.19 0.77 0.23 3.88 -0.00 -1.95 -2.37 115.15 124.90 1xfr h HIS 70 Ca -0.25 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.13 1xfr h HIS 70 Cb 1.07 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1xfr h HIS 70 CO 0.90 0.44 -0.11 0.78 -0.00 0.00 0.00 177.93 179.95 1xfr h GLY 71 N 0.79 -0.32 1.14 2.45 0.00 -1.99 -3.18 103.07 101.96 1xfr h GLY 71 Ca 0.27 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.80 1xfr h GLY 71 CO -0.08 -0.11 0.37 -0.57 0.00 0.00 0.00 176.54 176.15 1xfr h ASN 72 N -0.35 0.37 -0.18 0.19 -1.24 -1.86 0.63 115.58 113.13 1xfr h ASN 72 Ca -0.03 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.01 1xfr h ASN 72 Cb 0.23 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 1xfr h ASN 72 CO 0.05 0.23 0.04 0.00 -1.29 0.00 0.00 177.43 176.46 1xfr h ALA 73 N 1.71 0.18 0.00 1.57 0.00 -1.56 0.67 119.26 121.84 1xfr h ALA 73 Ca 0.25 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1xfr h ALA 73 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xfr h ALA 73 CO -0.07 -0.40 -0.47 1.98 0.00 0.00 0.00 179.25 180.29 1xfr h MET 74 N 0.11 0.00 -0.68 0.00 1.85 -0.94 -1.60 114.93 113.67 1xfr h MET 74 Ca 0.08 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.15 1xfr h MET 74 Cb 0.07 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.07 1xfr h MET 74 CO -0.10 0.47 0.34 0.93 -0.40 0.00 0.00 176.91 178.15 1xfr h GLU 75 N 0.00 0.98 -1.00 0.39 5.08 -0.50 -0.24 114.58 119.29 1xfr h GLU 75 Ca -0.00 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1xfr h GLU 75 Cb 0.84 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 1xfr h GLU 75 CO 0.06 0.77 0.66 0.35 -1.00 0.00 0.00 179.01 179.85 1xfr h PHE 76 N 0.95 1.23 0.72 4.33 3.57 -0.34 -0.57 116.94 126.82 1xfr h PHE 76 Ca 0.24 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1xfr h PHE 76 Cb 0.11 -0.41 0.01 0.00 2.79 0.00 0.00 35.95 38.44 1xfr h PHE 76 CO 0.00 0.71 -0.35 0.00 -2.23 0.00 0.00 178.31 176.45 1xfr h ALA 77 N 1.41 -0.97 -0.43 2.41 0.00 -0.86 -2.59 119.26 118.23 1xfr h ALA 77 Ca 0.40 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xfr h ALA 77 Cb -0.00 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xfr h ALA 77 CO -0.12 -0.93 0.08 0.87 0.00 0.00 0.00 179.25 179.15 1xfr h LYS 78 N -1.20 0.65 -0.48 0.00 6.56 -0.97 -0.98 116.57 120.15 1xfr h LYS 78 Ca -0.10 -0.12 0.08 0.00 -1.06 0.00 0.00 60.65 59.45 1xfr h LYS 78 Cb 0.76 -0.10 -0.10 0.00 -0.57 0.00 0.00 32.23 32.22 1xfr h LYS 78 CO 0.16 0.61 -0.40 -0.22 -2.06 0.00 0.00 179.45 177.54 1xfr h LYS 79 N 0.63 -0.25 0.00 3.15 3.64 -1.14 -1.83 116.57 120.77 1xfr h LYS 79 Ca 0.14 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1xfr h LYS 79 Cb 0.27 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1xfr h LYS 79 CO 0.00 -0.17 0.00 0.72 -2.27 0.00 0.00 179.45 177.73 1xfr n HIS 80 N -5.42 0.00 0.00 1.91 8.25 -0.49 -4.85 115.22 114.63 1xfr n HIS 80 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1xfr n HIS 80 Cb 0.35 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 0.57 1.01 3.75 -1.41 0.00 -0.69 -4.85 105.19 103.58 1xfr n GLY 81 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1xfr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr s ALA 82 N -2.00 2.63 0.75 4.61 0.00 -0.53 -4.91 121.76 122.31 1xfr s ALA 82 Ca 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1xfr s ALA 82 Cb 0.00 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1xfr s ALA 82 CO 0.00 -1.15 1.11 -0.51 0.00 0.00 0.00 175.76 175.22 1xfr s ASP 83 N -1.47 4.99 -0.01 0.00 1.01 -1.26 -4.49 116.67 115.44 1xfr s ASP 83 Ca 0.75 1.09 -0.24 0.00 0.71 0.00 0.00 52.55 54.86 1xfr s ASP 83 Cb -0.32 -1.81 -0.16 0.00 1.01 0.00 0.00 42.92 41.64 1xfr s ASP 83 CO 0.35 -1.63 1.16 -0.08 0.21 0.00 0.00 175.17 175.18 1xfr h GLU 84 N -0.86 -0.33 -0.84 8.23 4.81 -1.99 0.30 114.58 123.91 1xfr h GLU 84 Ca -0.46 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.84 1xfr h GLU 84 Cb 1.27 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 1xfr h GLU 84 CO 0.63 0.01 0.55 1.15 -0.73 0.00 0.00 179.01 180.62 1xfr h THR 85 N -0.76 1.12 0.75 0.32 2.02 -1.98 0.03 112.91 114.40 1xfr h THR 85 Ca -0.04 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1xfr h THR 85 Cb 0.50 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1xfr h THR 85 CO 0.06 0.19 -0.49 -0.03 0.37 0.00 0.00 175.52 175.62 1xfr h MET 86 N 1.02 -1.12 -0.31 6.66 1.85 -1.94 0.48 114.93 121.56 1xfr h MET 86 Ca 0.34 0.08 -0.02 0.00 -0.61 0.00 0.00 59.70 59.49 1xfr h MET 86 Cb 0.07 0.25 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 1xfr h MET 86 CO -0.11 -0.75 0.11 0.00 -0.40 0.00 0.00 176.91 175.77 1xfr h ALA 87 N -1.16 1.61 -0.25 0.39 0.00 0.10 -0.83 119.26 119.12 1xfr h ALA 87 Ca -0.10 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1xfr h ALA 87 Cb 0.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xfr h ALA 87 CO 0.08 0.30 -0.62 0.37 0.00 0.00 0.00 179.25 179.39 1xfr h GLN 88 N 0.44 0.86 -0.13 0.00 -0.00 -1.00 -2.53 115.11 112.75 1xfr h GLN 88 Ca 0.11 -0.59 0.04 0.00 -0.00 0.00 0.00 58.65 58.21 1xfr h GLN 88 Cb 0.11 0.09 -0.07 0.00 0.00 0.00 0.00 27.48 27.62 1xfr h GLN 88 CO -0.01 1.22 -0.43 1.96 0.00 0.00 0.00 178.83 181.57 1xfr h GLN 89 N 0.64 -0.48 -0.40 1.69 1.08 0.47 0.22 115.11 118.33 1xfr h GLN 89 Ca -0.01 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1xfr h GLN 89 Cb 1.24 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.72 1xfr h GLN 89 CO 0.14 -0.32 0.06 -0.07 -0.95 0.00 0.00 178.83 177.68 1xfr h LEU 90 N -0.50 -0.04 -1.03 1.46 -0.00 -1.31 -0.49 115.31 113.40 1xfr h LEU 90 Ca 0.07 0.07 -0.08 0.00 -0.00 0.00 0.00 57.88 57.95 1xfr h LEU 90 Cb 0.63 0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.39 1xfr h LEU 90 CO -0.40 0.01 -0.11 0.40 -0.00 0.00 0.00 178.44 178.34 1xfr h ILE 91 N 0.18 1.24 -0.16 1.22 5.03 -0.95 -0.13 117.51 123.92 1xfr h ILE 91 Ca 0.19 -1.04 -0.02 0.00 -0.12 0.00 0.00 64.86 63.87 1xfr h ILE 91 Cb 0.24 1.10 -0.01 0.00 -3.03 0.00 0.00 36.82 35.13 1xfr h ILE 91 CO -0.27 0.35 0.03 -0.78 -0.68 0.00 0.00 178.15 176.80 1xfr h ASP 92 N 0.53 0.25 0.55 1.72 1.82 0.12 0.26 116.42 121.67 1xfr h ASP 92 Ca 0.10 -0.24 -0.03 0.00 -0.39 0.00 0.00 57.03 56.47 1xfr h ASP 92 Cb 0.50 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.45 1xfr h ASP 92 CO 0.03 0.43 -0.26 0.40 -1.61 0.00 0.00 179.24 178.23 1xfr h ILE 93 N 0.06 0.45 0.13 2.25 2.04 -0.95 -1.60 117.51 119.90 1xfr h ILE 93 Ca 0.05 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1xfr h ILE 93 Cb 0.28 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1xfr h ILE 93 CO 0.00 0.01 -0.14 0.58 0.00 0.00 0.00 178.15 178.61 1xfr h VAL 94 N -0.78 0.69 -0.56 1.67 2.07 -1.00 -2.37 116.25 115.96 1xfr h VAL 94 Ca -0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1xfr h VAL 94 Cb 0.58 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1xfr h VAL 94 CO 0.12 0.00 0.24 -0.74 0.02 0.00 0.00 177.57 177.21 1xfr h HIS 95 N -0.30 0.83 0.31 1.57 -0.00 -0.41 -0.58 115.15 116.57 1xfr h HIS 95 Ca 0.01 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1xfr h HIS 95 Cb 0.29 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 1xfr h HIS 95 CO -0.13 0.66 -0.49 0.78 -0.00 0.00 0.00 177.93 178.75 1xfr h GLY 96 N 0.76 -1.21 0.76 5.26 0.00 -1.20 -2.60 103.07 104.83 1xfr h GLY 96 Ca 0.19 0.61 0.12 0.00 0.00 0.00 0.00 47.33 48.25 1xfr h GLY 96 CO -0.02 -0.33 0.51 0.00 0.00 0.00 0.00 176.54 176.70 1xfr h GLU 98 N 0.57 0.00 0.00 0.00 5.08 -0.70 0.51 114.58 120.05 1xfr h GLU 98 Ca 0.37 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.58 1xfr h GLU 98 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1xfr h GLU 98 CO -0.14 0.00 -1.53 1.63 -1.00 0.00 0.00 179.01 177.97 1xfr n LYS 99 N -2.62 0.21 -0.08 2.33 4.01 -0.81 -4.78 118.16 116.42 1xfr n LYS 99 Ca -0.02 0.08 -0.07 0.00 -0.51 0.00 0.00 58.31 57.78 1xfr n LYS 99 Cb 0.19 -0.97 -0.00 0.00 -0.51 0.00 0.00 35.03 33.73 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 -0.21 0.06 -2.56 4.39 0.02 -0.59 -3.43 113.55 111.22 1xfr h SER 100 Ca -0.23 0.04 -0.53 0.00 -0.84 0.00 0.00 61.79 60.23 1xfr h SER 100 Cb 1.25 0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.86 1xfr h SER 100 CO -0.10 0.07 1.09 -0.89 -1.14 0.00 0.00 176.83 175.85 1xfr s THR 101 N -6.17 2.81 0.47 -2.27 2.01 0.15 -5.00 115.64 107.64 1xfr s THR 101 Ca -0.13 0.22 -0.21 0.00 0.31 0.00 0.00 61.69 61.87 1xfr s THR 101 Cb 0.11 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.40 1xfr s THR 101 CO 0.70 -0.00 1.07 -2.16 -0.69 0.00 0.00 174.62 173.53 1xfr s PRO 102 N 3.02 3.84 0.14 4.92 0.04 -1.26 -4.94 135.00 140.75 1xfr s PRO 102 Ca 0.79 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 63.29 1xfr s PRO 102 Cb -0.43 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 31.88 1xfr s PRO 102 CO 0.35 -0.42 0.21 0.00 0.04 0.00 0.00 177.00 177.19 1xfr n ALA 103 N -0.72 -0.26 -3.75 8.56 0.00 -1.26 -4.86 120.51 118.22 1xfr n ALA 103 Ca 0.08 -0.59 -0.21 0.00 0.00 0.00 0.00 53.44 52.72 1xfr n ALA 103 Cb 0.51 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.44 1xfr n ALA 103 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xfr n ASN 104 N -1.76 2.27 0.26 0.00 0.23 -1.26 -5.02 115.26 109.98 1xfr n ASN 104 Ca -0.01 -2.40 0.17 0.00 -0.53 0.00 0.00 54.58 51.82 1xfr n ASN 104 Cb 0.23 -0.05 0.82 0.00 -2.08 0.00 0.00 39.78 38.70 1xfr n ASN 104 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1xfr h ASP 105 N 0.47 0.00 -1.21 0.53 5.19 -2.03 -3.40 116.42 115.97 1xfr h ASP 105 Ca -0.26 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.84 1xfr h ASP 105 Cb 0.95 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 1xfr h ASP 105 CO 0.40 0.00 1.05 -0.62 -3.12 0.00 0.00 179.24 176.95 1xfr s ASP 106 N -4.83 4.40 0.54 6.45 -1.08 -1.26 -4.83 116.67 116.07 1xfr s ASP 106 Ca -0.04 0.56 0.37 0.00 -0.52 0.00 0.00 52.55 52.91 1xfr s ASP 106 Cb 0.11 -2.52 1.55 0.00 -1.46 0.00 0.00 42.92 40.60 1xfr s ASP 106 CO 0.38 -3.13 1.80 0.11 0.52 0.00 0.00 175.17 174.86 1xfr h LYS 107 N 16.39 0.00 0.24 4.34 1.79 -1.99 0.54 116.57 137.87 1xfr h LYS 107 Ca -0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1xfr h LYS 107 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1xfr h LYS 107 CO 1.12 0.00 -0.11 0.00 -1.08 0.00 0.00 179.45 179.38 1xfr h ILE 109 N -0.37 1.09 -0.14 0.00 1.08 -1.21 -0.69 117.51 117.28 1xfr h ILE 109 Ca -0.03 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.20 1xfr h ILE 109 Cb 0.29 1.17 -0.07 0.00 -3.07 0.00 0.00 36.82 35.14 1xfr h ILE 109 CO 0.05 0.08 -0.48 -0.25 -0.69 0.00 0.00 178.15 176.86 1xfr h TRP 110 N -0.01 -1.42 -0.69 1.37 7.01 -1.29 -0.83 115.95 120.10 1xfr h TRP 110 Ca 0.02 0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 1xfr h TRP 110 Cb 0.10 0.64 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 1xfr h TRP 110 CO -0.04 -0.52 0.32 1.15 -2.79 0.00 0.00 178.44 176.57 1xfr h THR 111 N -0.54 1.22 -0.56 2.65 2.02 -1.05 -0.05 112.91 116.60 1xfr h THR 111 Ca 0.06 -0.63 0.09 0.00 0.77 0.00 0.00 66.41 66.70 1xfr h THR 111 Cb 0.66 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 1xfr h THR 111 CO -0.42 0.26 0.14 0.25 0.37 0.00 0.00 175.52 176.13 1xfr h LEU 112 N 0.97 0.07 -0.05 2.58 5.85 -0.72 0.84 115.31 124.85 1xfr h LEU 112 Ca 0.24 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1xfr h LEU 112 Cb 0.11 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1xfr h LEU 112 CO -0.03 0.05 0.01 1.23 -0.34 0.00 0.00 178.44 179.36 1xfr h GLY 113 N 0.29 0.09 0.76 3.75 0.00 0.35 -0.53 103.07 107.78 1xfr h GLY 113 Ca 0.28 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.60 1xfr h GLY 113 CO -0.34 0.05 0.36 -2.08 0.00 0.00 0.00 176.54 174.53 1xfr h VAL 114 N -0.17 1.01 -0.21 4.60 2.07 -0.82 -0.30 116.25 122.42 1xfr h VAL 114 Ca 0.01 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1xfr h VAL 114 Cb 0.28 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1xfr h VAL 114 CO 0.00 0.12 -0.17 0.00 0.02 0.00 0.00 177.57 177.55 1xfr h ALA 115 N 1.31 1.32 0.00 1.67 0.00 -0.73 -2.34 119.26 120.49 1xfr h ALA 115 Ca 0.27 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1xfr h ALA 115 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xfr h ALA 115 CO -0.15 0.46 -1.00 1.15 0.00 0.00 0.00 179.25 179.71 1xfr h THR 116 N 0.34 1.67 0.35 0.00 2.02 -0.14 0.84 112.91 117.99 1xfr h THR 116 Ca 0.06 -3.37 -0.02 0.00 0.77 0.00 0.00 66.41 63.85 1xfr h THR 116 Cb 0.50 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1xfr h THR 116 CO 0.03 0.95 -0.17 0.00 0.37 0.00 0.00 175.52 176.71 1xfr h PHE 118 N -0.70 0.61 -0.61 0.00 3.57 -1.32 -1.22 116.94 117.26 1xfr h PHE 118 Ca -0.05 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1xfr h PHE 118 Cb 0.49 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 38.98 1xfr h PHE 118 CO 0.00 0.19 -0.52 -0.22 -2.23 0.00 0.00 178.31 175.54 1xfr h LYS 119 N 0.57 -0.19 -0.31 1.11 3.64 -0.94 -1.59 116.57 118.84 1xfr h LYS 119 Ca 0.36 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1xfr h LYS 119 Cb 0.42 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1xfr h LYS 119 CO -0.30 -0.13 0.21 0.00 -2.27 0.00 0.00 179.45 176.97 1xfr h ALA 120 N 0.07 2.00 -0.19 5.00 0.00 -1.31 0.60 119.26 125.43 1xfr h ALA 120 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xfr h ALA 120 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xfr h ALA 120 CO -0.68 -0.05 -0.01 0.93 0.00 0.00 0.00 179.25 179.44 1xfr h GLU 121 N 0.24 0.34 -0.77 0.00 4.39 -1.28 0.10 114.58 117.59 1xfr h GLU 121 Ca 0.13 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.80 1xfr h GLU 121 Cb 0.24 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.80 1xfr h GLU 121 CO -0.03 0.56 0.44 0.82 -1.16 0.00 0.00 179.01 179.65 1xfr h ILE 122 N 0.08 0.95 -0.61 3.13 1.08 -0.01 0.17 117.51 122.30 1xfr h ILE 122 Ca 0.05 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1xfr h ILE 122 Cb 0.42 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 1xfr h ILE 122 CO 0.01 0.14 0.29 0.45 -0.69 0.00 0.00 178.15 178.36 1xfr h HIS 123 N 0.77 0.88 -0.55 1.37 3.86 -1.14 -0.72 115.15 119.62 1xfr h HIS 123 Ca 0.36 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.55 1xfr h HIS 123 Cb 0.27 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 1xfr h HIS 123 CO -0.07 0.67 0.33 1.57 0.86 0.00 0.00 177.93 181.29 1xfr h LYS 124 N 0.83 0.64 0.00 2.45 2.10 0.12 -1.77 116.57 120.95 1xfr h LYS 124 Ca 0.21 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1xfr h LYS 124 Cb 0.12 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 1xfr h LYS 124 CO -0.03 0.42 0.00 1.28 -2.00 0.00 0.00 179.45 179.13 1xfr n LEU 125 N -4.77 0.10 -1.19 7.07 4.77 0.49 -4.87 117.00 118.61 1xfr n LEU 125 Ca 0.04 0.52 -0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1xfr n LEU 125 Cb 0.08 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 1xfr n LEU 125 CO 0.32 -0.28 -0.13 -3.20 -1.33 0.00 0.00 177.39 172.77 1xfr n ASN 126 N -1.61 -3.61 -2.25 -1.43 5.15 -0.66 -4.95 115.26 105.89 1xfr n ASN 126 Ca 0.03 0.02 -0.27 0.00 -0.60 0.00 0.00 54.58 53.76 1xfr n ASN 126 Cb 0.19 -2.78 0.04 0.00 -0.53 0.00 0.00 39.78 36.70 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 -3.88 2.34 -0.14 1.20 8.01 -0.32 -4.90 117.44 119.75 1xfr n TRP 127 Ca -0.13 -2.41 0.00 0.00 -1.31 0.00 0.00 57.50 53.66 1xfr n TRP 127 Cb 0.57 -1.23 0.00 0.00 -2.01 0.00 0.00 31.31 28.64 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68