#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 -0.03 1.43 6.02 -1.26 -4.53 117.38 119.01 1xfr n GLN 2 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1xfr n GLN 2 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 1xfr n GLN 2 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1xfr h GLU 3 N 0.00 -0.01 -0.33 -1.09 4.81 -1.99 0.17 114.58 116.14 1xfr h GLU 3 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1xfr h GLU 3 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1xfr h GLU 3 CO 0.00 -0.01 -0.12 -0.24 -0.73 0.00 0.00 179.01 177.91 1xfr h VAL 4 N -0.01 1.24 -0.26 0.32 3.04 -1.94 -2.79 116.25 115.85 1xfr h VAL 4 Ca 0.01 -1.07 0.01 0.00 -1.01 0.00 0.00 66.70 64.64 1xfr h VAL 4 Cb 0.04 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1xfr h VAL 4 CO -0.06 0.35 0.17 -0.03 -1.01 0.00 0.00 177.57 176.99 1xfr h MET 5 N 0.53 0.33 -0.50 4.17 4.05 -1.58 0.14 114.93 122.08 1xfr h MET 5 Ca 0.10 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1xfr h MET 5 Cb 0.52 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.21 1xfr h MET 5 CO 0.03 0.22 0.26 -0.22 0.23 0.00 0.00 176.91 177.43 1xfr h LYS 6 N 0.34 0.50 -0.32 0.39 3.64 -0.46 -0.02 116.57 120.63 1xfr h LYS 6 Ca 0.10 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 1xfr h LYS 6 Cb -0.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1xfr h LYS 6 CO -0.03 0.33 -0.29 -0.97 -2.27 0.00 0.00 179.45 176.22 1xfr h ASN 7 N 0.51 0.70 -0.28 4.20 -1.24 -1.25 -1.29 115.58 116.93 1xfr h ASN 7 Ca 0.21 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 1xfr h ASN 7 Cb 0.10 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1xfr h ASN 7 CO -0.14 0.95 0.11 -0.07 -1.29 0.00 0.00 177.43 176.99 1xfr h LEU 8 N 0.58 0.39 -0.70 0.34 3.38 -0.25 0.29 115.31 119.34 1xfr h LEU 8 Ca 0.07 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1xfr h LEU 8 Cb 0.79 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 1xfr h LEU 8 CO 0.07 0.46 0.29 -1.28 0.09 0.00 0.00 178.44 178.07 1xfr h SER 9 N 0.30 0.31 -0.11 -0.43 0.87 -0.94 -0.85 113.55 112.71 1xfr h SER 9 Ca 0.09 0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.54 1xfr h SER 9 Cb 0.19 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1xfr h SER 9 CO -0.01 0.16 -0.65 0.25 -0.53 0.00 0.00 176.83 176.06 1xfr h LEU 10 N 0.48 0.83 -0.28 2.23 5.85 -0.54 -2.65 115.31 121.23 1xfr h LEU 10 Ca 0.36 -0.49 -0.20 0.00 0.84 0.00 0.00 57.88 58.39 1xfr h LEU 10 Cb 0.47 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1xfr h LEU 10 CO -0.33 1.26 -0.84 0.78 -0.34 0.00 0.00 178.44 178.97 1xfr h ASN 11 N 0.53 0.47 -0.56 1.25 2.35 -0.25 -2.35 115.58 117.02 1xfr h ASN 11 Ca -0.01 -0.35 0.06 0.00 -0.55 0.00 0.00 56.30 55.44 1xfr h ASN 11 Cb 1.24 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 1xfr h ASN 11 CO 0.13 1.12 0.28 0.15 -1.65 0.00 0.00 177.43 177.46 1xfr h PHE 12 N 0.23 0.50 0.00 1.19 3.04 -1.11 -1.85 116.94 118.94 1xfr h PHE 12 Ca -0.05 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1xfr h PHE 12 Cb 1.45 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.82 1xfr h PHE 12 CO 0.05 0.23 0.00 0.41 -2.02 0.00 0.00 178.31 176.97 1xfr n GLY 13 N -1.27 -0.43 0.47 2.40 0.00 -0.90 -4.29 105.19 101.17 1xfr n GLY 13 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1xfr n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfr h LYS 14 N 0.00 -1.13 -0.89 1.61 1.79 -1.16 -3.00 116.57 113.79 1xfr h LYS 14 Ca 0.00 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1xfr h LYS 14 Cb 0.00 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1xfr h LYS 14 CO 0.00 -0.75 0.00 0.00 -1.08 0.00 0.00 179.45 177.62 1xfr n ALA 15 N -2.61 2.20 0.08 3.86 0.00 -1.26 -4.51 120.51 118.28 1xfr n ALA 15 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 1xfr n ALA 15 Cb 0.47 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 0.47 -0.59 -1.25 0.00 5.85 -1.83 0.12 115.31 118.08 1xfr h LEU 16 Ca 0.00 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1xfr h LEU 16 Cb 0.49 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1xfr h LEU 16 CO 0.00 -0.28 -0.35 -0.78 -0.34 0.00 0.00 178.44 176.69 1xfr h ASP 17 N -0.36 0.00 0.71 1.25 3.58 -1.87 0.22 116.42 119.94 1xfr h ASP 17 Ca 0.04 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1xfr h ASP 17 Cb 0.41 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.47 1xfr h ASP 17 CO -0.15 0.35 -0.34 -0.33 -2.88 0.00 0.00 179.24 175.89 1xfr h GLU 18 N 0.00 -0.92 -0.12 0.28 5.08 -1.78 -1.39 114.58 115.73 1xfr h GLU 18 Ca -0.00 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1xfr h GLU 18 Cb 0.69 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1xfr h GLU 18 CO 0.05 -0.58 0.14 0.00 -1.00 0.00 0.00 179.01 177.61 1xfr h LYS 20 N 0.00 -1.02 -0.35 0.00 1.57 -0.45 -3.18 116.57 113.14 1xfr h LYS 20 Ca 0.06 0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1xfr h LYS 20 Cb 0.33 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1xfr h LYS 20 CO -0.00 -0.67 0.04 1.57 -0.57 0.00 0.00 179.45 179.81 1xfr h LYS 21 N -1.26 0.59 -1.04 3.15 -0.00 -0.09 0.11 116.57 118.04 1xfr h LYS 21 Ca -0.11 -0.17 0.27 0.00 -0.00 0.00 0.00 60.65 60.64 1xfr h LYS 21 Cb 0.82 -0.06 -0.09 0.00 -0.00 0.00 0.00 32.23 32.90 1xfr h LYS 21 CO 0.18 0.68 0.68 0.93 -0.00 0.00 0.00 179.45 181.92 1xfr h GLU 22 N 0.42 0.35 -0.00 0.07 4.39 -0.98 -2.45 114.58 116.38 1xfr h GLU 22 Ca 0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1xfr h GLU 22 Cb 0.39 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1xfr h GLU 22 CO 0.01 0.23 -0.00 -1.33 -1.16 0.00 0.00 179.01 176.76 1xfr n MET 23 N -4.59 -0.20 -3.23 2.33 2.81 -1.15 -5.05 117.12 108.04 1xfr n MET 23 Ca 0.25 -0.48 -0.21 0.00 -1.81 0.00 0.00 57.70 55.44 1xfr n MET 23 Cb 0.89 -0.96 0.02 0.00 -0.71 0.00 0.00 33.22 32.46 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 -0.07 -5.94 -4.71 2.03 -1.04 0.18 -5.05 114.28 99.68 1xfr n THR 24 Ca 0.00 0.51 -0.33 0.00 -2.04 0.00 0.00 64.05 62.19 1xfr n THR 24 Cb 0.01 -4.61 -0.12 0.00 -1.82 0.00 0.00 70.33 63.79 1xfr n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xfr s LEU 25 N -2.14 3.01 0.69 -4.42 1.43 0.04 -5.01 118.68 112.28 1xfr s LEU 25 Ca 0.25 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1xfr s LEU 25 Cb -0.04 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1xfr s LEU 25 CO 0.68 0.33 1.06 0.42 0.23 0.00 0.00 176.35 179.07 1xfr s THR 26 N -0.64 4.04 -0.84 5.49 -4.23 -1.26 -4.78 115.64 113.42 1xfr s THR 26 Ca 0.10 0.66 0.19 0.00 -1.18 0.00 0.00 61.69 61.46 1xfr s THR 26 Cb -0.11 -3.43 0.18 0.00 1.34 0.00 0.00 72.50 70.48 1xfr s THR 26 CO 0.01 -0.87 1.61 -0.90 -0.54 0.00 0.00 174.62 173.93 1xfr n ASP 27 N -3.11 0.23 0.07 3.99 5.75 -1.26 -2.10 116.55 120.11 1xfr n ASP 27 Ca 0.07 0.55 0.16 0.00 -0.01 0.00 0.00 54.79 55.57 1xfr n ASP 27 Cb 0.54 -0.60 0.67 0.00 -1.03 0.00 0.00 41.12 40.69 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 2.50 2.34 0.00 2.12 0.00 -2.01 0.15 119.26 124.36 1xfr h ALA 28 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1xfr h ALA 28 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xfr h ALA 28 CO 0.00 -0.45 -0.44 -0.84 0.00 0.00 0.00 179.25 177.53 1xfr h ILE 29 N 0.02 1.31 0.00 0.00 3.07 -1.81 -0.82 117.51 119.28 1xfr h ILE 29 Ca 0.18 -1.50 -0.01 0.00 1.55 0.00 0.00 64.86 65.07 1xfr h ILE 29 Cb 0.70 1.81 -0.00 0.00 -0.27 0.00 0.00 36.82 39.06 1xfr h ILE 29 CO -0.01 0.43 -0.06 0.78 -1.05 0.00 0.00 178.15 178.24 1xfr h ASN 30 N 0.00 0.00 -0.08 2.16 2.35 -0.87 0.20 115.58 119.33 1xfr h ASN 30 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1xfr h ASN 30 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1xfr h ASN 30 CO 0.06 0.06 -0.32 1.05 -1.65 0.00 0.00 177.43 176.62 1xfr h GLU 31 N 0.00 0.37 -0.36 0.81 4.11 -1.03 -1.85 114.58 116.64 1xfr h GLU 31 Ca -0.00 -0.28 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1xfr h GLU 31 Cb 0.12 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1xfr h GLU 31 CO 0.01 0.91 0.22 -0.44 0.07 0.00 0.00 179.01 179.79 1xfr h ASP 32 N -0.10 0.42 -0.28 3.06 5.19 -0.48 0.12 116.42 124.34 1xfr h ASP 32 Ca -0.02 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1xfr h ASP 32 Cb 0.96 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1xfr h ASP 32 CO 0.07 0.33 0.09 -0.26 -3.12 0.00 0.00 179.24 176.35 1xfr h PHE 33 N 0.47 0.45 0.21 4.55 0.04 -0.75 -1.23 116.94 120.68 1xfr h PHE 33 Ca 0.13 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1xfr h PHE 33 Cb -0.02 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.00 1xfr h PHE 33 CO -0.04 0.47 -0.10 -0.92 -0.60 0.00 0.00 178.31 177.12 1xfr h TYR 34 N 0.30 -0.26 0.00 -0.55 3.20 -1.12 -2.71 116.97 115.83 1xfr h TYR 34 Ca 0.09 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1xfr h TYR 34 Cb 0.23 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1xfr h TYR 34 CO 0.00 -0.08 0.00 0.09 -1.64 0.00 0.00 178.16 176.54 1xfr n ASN 35 N -5.16 0.00 0.24 -2.11 3.02 0.41 -4.00 115.26 107.66 1xfr n ASN 35 Ca -0.09 -0.87 0.09 0.00 -0.03 0.00 0.00 54.58 53.67 1xfr n ASN 35 Cb 0.17 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 39.94 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 0.00 0.00 -0.51 3.10 3.57 -0.88 -1.19 116.94 121.04 1xfr h PHE 36 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1xfr h PHE 36 Cb 0.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1xfr h PHE 36 CO 0.00 0.18 0.13 0.91 -2.23 0.00 0.00 178.31 177.29 1xfr n TRP 37 N -3.94 1.73 -0.40 0.41 5.03 -1.26 -4.94 117.44 114.08 1xfr n TRP 37 Ca -0.02 -0.78 -0.15 0.00 3.03 0.00 0.00 57.50 59.57 1xfr n TRP 37 Cb 0.26 -0.50 0.14 0.00 -1.03 0.00 0.00 31.31 30.18 1xfr n TRP 37 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1xfr n LYS 38 N 0.16 -2.87 -2.62 -0.99 4.01 -0.45 -5.00 118.16 110.39 1xfr n LYS 38 Ca 0.27 -0.79 -0.29 0.00 -0.51 0.00 0.00 58.31 56.99 1xfr n LYS 38 Cb 1.06 -0.89 -0.01 0.00 -0.51 0.00 0.00 35.03 34.68 1xfr n LYS 38 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1xfr n GLU 39 N -3.60 3.43 0.00 1.97 0.00 -1.26 -4.68 120.64 116.50 1xfr n GLU 39 Ca 0.07 -4.58 0.00 0.00 0.00 0.00 0.00 57.16 52.65 1xfr n GLU 39 Cb 0.30 -2.26 0.00 0.00 0.00 0.00 0.00 31.44 29.48 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 -0.38 1.20 3.71 -1.84 0.00 -1.26 -5.14 105.19 101.48 1xfr n GLY 40 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.35 1.94 -0.03 1.61 6.14 -1.26 -5.06 117.35 119.34 1xfr s TYR 41 Ca 0.00 1.67 0.03 0.00 0.64 0.00 0.00 57.07 59.40 1xfr s TYR 41 Cb 0.00 -3.39 0.00 0.00 0.42 0.00 0.00 41.96 38.99 1xfr s TYR 41 CO 0.00 -2.62 -0.10 -2.00 0.64 0.00 0.00 175.55 171.47 1xfr s GLU 42 N -4.26 1.08 -0.23 4.97 2.56 -1.26 -5.07 118.70 116.50 1xfr s GLU 42 Ca 0.71 -0.35 -0.06 0.00 0.00 0.00 0.00 54.97 55.26 1xfr s GLU 42 Cb -0.26 -1.00 -0.03 0.00 2.00 0.00 0.00 34.13 34.85 1xfr s GLU 42 CO 0.51 0.14 0.04 0.42 -0.56 0.00 0.00 175.26 175.81 1xfr s ILE 43 N 0.15 4.20 0.00 -3.70 1.01 -1.26 -4.95 121.20 116.65 1xfr s ILE 43 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1xfr s ILE 43 Cb -0.09 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1xfr s ILE 43 CO 0.01 0.38 0.00 0.29 0.00 0.00 0.00 174.94 175.62 1xfr n LYS 44 N 4.58 2.29 -1.72 2.79 4.76 -1.26 -5.02 118.16 124.57 1xfr n LYS 44 Ca -0.17 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.85 1xfr n LYS 44 Cb 0.52 -0.67 -0.03 0.00 -1.84 0.00 0.00 35.03 33.00 1xfr n LYS 44 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xfr s ASN 45 N -1.33 5.64 0.61 4.39 0.01 -1.26 -4.84 114.94 118.16 1xfr s ASN 45 Ca 0.00 1.80 0.30 0.00 -0.71 0.00 0.00 52.86 54.25 1xfr s ASN 45 Cb 0.00 -2.52 1.70 0.00 0.41 0.00 0.00 41.25 40.84 1xfr s ASN 45 CO 0.00 -1.83 2.06 0.08 -1.51 0.00 0.00 177.10 175.91 1xfr h ARG 46 N 14.17 0.00 -0.09 -0.60 0.11 -1.95 -0.20 114.38 125.82 1xfr h ARG 46 Ca -0.40 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.71 1xfr h ARG 46 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 1xfr h ARG 46 CO 0.98 0.00 0.07 0.93 0.10 0.00 0.00 179.97 182.04 1xfr h GLU 47 N 0.00 0.00 -0.12 0.08 5.08 -1.94 -1.61 114.58 116.07 1xfr h GLU 47 Ca 0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1xfr h GLU 47 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1xfr h GLU 47 CO -0.00 0.00 -0.20 1.79 -1.00 0.00 0.00 179.01 179.60 1xfr h THR 48 N 0.00 1.38 -0.87 1.13 1.35 -1.41 -1.65 112.91 112.83 1xfr h THR 48 Ca 0.04 -1.46 0.04 0.00 -0.55 0.00 0.00 66.41 64.49 1xfr h THR 48 Cb 0.18 2.05 -0.05 0.00 -1.73 0.00 0.00 68.15 68.59 1xfr h THR 48 CO -0.00 0.42 0.55 1.23 -0.25 0.00 0.00 175.52 177.48 1xfr h GLY 49 N -0.08 1.28 1.97 5.82 0.00 -1.47 0.94 103.07 111.53 1xfr h GLY 49 Ca 0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1xfr h GLY 49 CO 0.05 0.33 -0.58 0.00 0.00 0.00 0.00 176.54 176.34 1xfr h ALA 51 N 1.39 -0.38 -0.53 0.00 0.00 -0.24 -0.50 119.26 119.01 1xfr h ALA 51 Ca -0.01 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1xfr h ALA 51 Cb 1.03 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1xfr h ALA 51 CO 0.08 -0.64 0.06 0.82 0.00 0.00 0.00 179.25 179.57 1xfr h ILE 52 N -0.54 0.65 0.28 0.00 2.04 -0.79 0.61 117.51 119.76 1xfr h ILE 52 Ca -0.04 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1xfr h ILE 52 Cb 0.40 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1xfr h ILE 52 CO 0.06 0.03 -0.16 -0.03 0.00 0.00 0.00 178.15 178.06 1xfr h MET 53 N 0.19 -0.40 -0.46 2.37 4.05 -1.06 -0.68 114.93 118.93 1xfr h MET 53 Ca 0.27 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.77 1xfr h MET 53 Cb 0.39 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.23 1xfr h MET 53 CO -0.39 -0.26 0.17 0.00 0.23 0.00 0.00 176.91 176.66 1xfr h LEU 55 N 0.35 -0.46 -0.74 0.00 3.38 -0.76 -0.78 115.31 116.30 1xfr h LEU 55 Ca 0.22 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.41 1xfr h LEU 55 Cb 0.20 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 1xfr h LEU 55 CO -0.21 -0.21 0.25 -1.28 0.09 0.00 0.00 178.44 177.09 1xfr h SER 56 N -0.22 0.18 0.40 -0.43 0.87 -0.26 -0.35 113.55 113.75 1xfr h SER 56 Ca 0.07 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1xfr h SER 56 Cb 0.32 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1xfr h SER 56 CO -0.20 0.05 -0.30 0.74 -0.53 0.00 0.00 176.83 176.59 1xfr h THR 57 N 0.37 0.37 0.00 2.23 2.02 -0.25 -1.53 112.91 116.13 1xfr h THR 57 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 1xfr h THR 57 Cb 0.66 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1xfr h THR 57 CO -0.44 0.00 0.00 0.29 0.37 0.00 0.00 175.52 175.74 1xfr n LYS 58 N -5.43 0.06 -0.77 6.66 5.02 -0.39 -0.63 118.16 122.69 1xfr n LYS 58 Ca -0.10 0.46 0.03 0.00 -2.02 0.00 0.00 58.31 56.68 1xfr n LYS 58 Cb 0.33 -1.66 0.32 0.00 -0.02 0.00 0.00 35.03 34.00 1xfr n LYS 58 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xfr n LEU 59 N -1.78 5.02 -1.47 -0.35 4.77 -0.28 -4.91 117.00 118.00 1xfr n LEU 59 Ca 0.01 -2.56 -0.19 0.00 -0.03 0.00 0.00 56.01 53.24 1xfr n LEU 59 Cb 0.09 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 1xfr n LEU 59 CO 0.09 0.60 -0.18 -3.20 -1.33 0.00 0.00 177.39 173.36 1xfr n ASN 60 N 0.39 -5.40 0.08 -1.43 5.15 0.20 -4.87 115.26 109.37 1xfr n ASN 60 Ca 0.25 0.47 0.12 0.00 -0.60 0.00 0.00 54.58 54.81 1xfr n ASN 60 Cb 1.08 -4.64 0.07 0.00 -0.53 0.00 0.00 39.78 35.75 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 -2.09 0.45 -3.76 1.20 2.81 -0.61 -4.80 117.12 110.31 1xfr n MET 61 Ca -0.19 0.09 -0.37 0.00 -1.81 0.00 0.00 57.70 55.43 1xfr n MET 61 Cb 0.65 -1.74 -0.13 0.00 -0.71 0.00 0.00 33.22 31.29 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 -4.75 3.54 1.24 4.03 1.02 -1.25 -0.42 118.68 122.09 1xfr s LEU 62 Ca 0.03 -0.37 -0.15 0.00 0.02 0.00 0.00 54.13 53.65 1xfr s LEU 62 Cb 0.12 -1.90 0.29 0.00 0.02 0.00 0.00 46.19 44.72 1xfr s LEU 62 CO 0.77 -0.09 0.85 -0.90 0.02 0.00 0.00 176.35 177.01 1xfr n ASP 63 N 4.90 -2.35 -1.75 2.29 5.75 -0.67 -4.84 116.55 119.89 1xfr n ASP 63 Ca -0.16 -0.31 -0.08 0.00 -0.01 0.00 0.00 54.79 54.23 1xfr n ASP 63 Cb 0.50 -1.16 -0.02 0.00 -1.03 0.00 0.00 41.12 39.41 1xfr n ASP 63 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1xfr n PRO 64 N -4.77 1.46 0.00 0.11 -0.04 -1.26 -2.60 135.00 127.91 1xfr n PRO 64 Ca 0.04 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1xfr n PRO 64 Cb 0.56 -1.40 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 1.33 0.00 0.00 0.54 -0.58 -1.26 -5.07 120.64 115.60 1xfr n GLU 65 Ca 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1xfr n GLU 65 Cb 0.59 -0.29 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 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 0.67 0.38 3.68 0.62 0.00 -1.07 -5.16 105.19 104.32 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 -0.76 4.96 -0.44 1.61 0.01 -1.26 -4.87 114.94 114.19 1xfr s ASN 67 Ca 0.00 -0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 51.62 1xfr s ASN 67 Cb 0.00 -1.15 0.02 0.00 0.41 0.00 0.00 41.25 40.53 1xfr s ASN 67 CO 0.00 0.14 1.23 -0.22 -1.51 0.00 0.00 177.10 176.75 1xfr s LEU 68 N -2.54 3.65 -1.16 0.60 0.20 -1.26 -1.67 118.68 116.49 1xfr s LEU 68 Ca 0.26 0.66 -0.21 0.00 0.69 0.00 0.00 54.13 55.52 1xfr s LEU 68 Cb -0.11 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.09 1xfr s LEU 68 CO 0.19 -1.29 1.82 -2.28 -0.29 0.00 0.00 176.35 174.50 1xfr s HIS 69 N 4.73 2.27 0.42 5.38 5.65 0.44 -4.82 115.29 129.35 1xfr s HIS 69 Ca 0.53 -0.34 0.18 0.00 0.25 0.00 0.00 55.06 55.67 1xfr s HIS 69 Cb -0.10 -4.33 1.09 0.00 -1.18 0.00 0.00 32.58 28.06 1xfr s HIS 69 CO 0.31 -1.56 1.84 0.45 -0.65 0.00 0.00 174.74 175.12 1xfr h HIS 70 N 9.26 0.56 -0.67 3.88 -0.00 -1.92 0.89 115.15 127.15 1xfr h HIS 70 Ca 0.27 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.74 1xfr h HIS 70 Cb 0.93 -0.17 -0.06 0.00 -0.00 0.00 0.00 27.41 28.11 1xfr h HIS 70 CO 1.29 0.13 0.34 0.78 -0.00 0.00 0.00 177.93 180.46 1xfr h GLY 71 N 0.40 0.99 1.13 2.45 0.00 -1.98 -2.22 103.07 103.84 1xfr h GLY 71 Ca 0.50 -0.22 -0.31 0.00 0.00 0.00 0.00 47.33 47.30 1xfr h GLY 71 CO -0.20 0.08 -1.61 -0.57 0.00 0.00 0.00 176.54 174.25 1xfr h ASN 72 N 0.60 0.32 -0.83 0.19 -1.24 -1.26 -3.19 115.58 110.17 1xfr h ASN 72 Ca 0.32 -0.50 0.19 0.00 0.71 0.00 0.00 56.30 57.02 1xfr h ASN 72 Cb 0.30 -0.10 -0.12 0.00 0.73 0.00 0.00 38.32 39.12 1xfr h ASN 72 CO -0.24 1.43 0.30 0.00 -1.29 0.00 0.00 177.43 177.63 1xfr h ALA 73 N 0.53 1.22 -0.65 1.57 0.00 -1.13 -0.94 119.26 119.86 1xfr h ALA 73 Ca -0.27 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1xfr h ALA 73 Cb 2.01 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.95 1xfr h ALA 73 CO 0.14 -0.32 0.12 1.98 0.00 0.00 0.00 179.25 181.16 1xfr h MET 74 N 0.36 1.06 -0.69 0.00 1.85 -1.43 -2.88 114.93 113.20 1xfr h MET 74 Ca 0.49 -0.28 -0.01 0.00 -0.61 0.00 0.00 59.70 59.30 1xfr h MET 74 Cb 0.89 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.76 1xfr h MET 74 CO -0.51 0.97 0.40 0.93 -0.40 0.00 0.00 176.91 178.30 1xfr h GLU 75 N 0.98 0.94 -0.67 0.39 5.08 -1.22 -1.90 114.58 118.18 1xfr h GLU 75 Ca 0.20 -0.10 0.11 0.00 -1.00 0.00 0.00 59.36 58.57 1xfr h GLU 75 Cb 0.42 -0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.40 1xfr h GLU 75 CO 0.01 0.69 0.28 0.35 -1.00 0.00 0.00 179.01 179.33 1xfr h PHE 76 N 0.94 0.48 0.55 4.33 3.57 -1.08 0.10 116.94 125.83 1xfr h PHE 76 Ca 0.24 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 1xfr h PHE 76 Cb -0.00 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 38.63 1xfr h PHE 76 CO -0.01 0.12 -0.26 0.00 -2.23 0.00 0.00 178.31 175.92 1xfr h ALA 77 N 1.46 -0.73 0.00 2.41 0.00 -1.21 -2.97 119.26 118.22 1xfr h ALA 77 Ca 0.35 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xfr h ALA 77 Cb 0.45 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1xfr h ALA 77 CO -0.33 -0.80 -0.23 0.87 0.00 0.00 0.00 179.25 178.76 1xfr h LYS 78 N -0.96 0.00 -0.02 0.00 6.56 -1.15 -1.15 116.57 119.84 1xfr h LYS 78 Ca -0.08 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.55 1xfr h LYS 78 Cb 0.63 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.25 1xfr h LYS 78 CO 0.12 0.23 -0.24 -0.22 -2.06 0.00 0.00 179.45 177.28 1xfr h LYS 79 N 0.00 -0.35 0.00 3.15 3.64 -0.78 -2.72 116.57 119.51 1xfr h LYS 79 Ca -0.00 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xfr h LYS 79 Cb 0.64 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1xfr h LYS 79 CO 0.03 -0.24 -0.01 0.45 -2.27 0.00 0.00 179.45 177.41 1xfr h HIS 80 N -0.37 0.00 0.00 1.91 3.86 -1.26 -3.46 115.15 115.83 1xfr h HIS 80 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1xfr h HIS 80 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1xfr h HIS 80 CO -0.29 0.01 0.00 0.41 0.86 0.00 0.00 177.93 178.92 1xfr n GLY 81 N 0.29 1.47 3.77 2.45 0.00 -1.02 -4.99 105.19 107.16 1xfr n GLY 81 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1xfr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfr n ALA 82 N 0.00 2.16 -1.32 4.61 0.00 -0.48 -4.96 120.51 120.52 1xfr n ALA 82 Ca 0.00 0.28 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 1xfr n ALA 82 Cb 0.00 -2.40 0.10 0.00 0.00 0.00 0.00 19.45 17.15 1xfr n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xfr n ASP 83 N 0.02 1.11 0.19 0.00 8.00 -1.26 -4.47 116.55 120.14 1xfr n ASP 83 Ca 0.04 0.67 -0.15 0.00 0.71 0.00 0.00 54.79 56.06 1xfr n ASP 83 Cb 0.41 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 39.94 1xfr n ASP 83 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xfr h GLU 84 N -0.38 -0.60 -0.49 -1.24 4.22 -1.99 -0.22 114.58 113.88 1xfr h GLU 84 Ca -0.48 0.04 -0.09 0.00 0.08 0.00 0.00 59.36 58.92 1xfr h GLU 84 Cb 1.32 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1xfr h GLU 84 CO 0.48 -0.40 -0.04 1.15 -2.18 0.00 0.00 179.01 178.02 1xfr h THR 85 N -0.62 1.25 0.05 0.32 2.02 -1.99 -1.19 112.91 112.76 1xfr h THR 85 Ca -0.01 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 1xfr h THR 85 Cb 0.57 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1xfr h THR 85 CO -0.07 0.38 -0.02 -0.03 0.37 0.00 0.00 175.52 176.15 1xfr h MET 86 N 0.78 -0.07 -0.12 6.66 1.85 -1.87 0.15 114.93 122.32 1xfr h MET 86 Ca 0.14 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.18 1xfr h MET 86 Cb 0.52 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 1xfr h MET 86 CO 0.03 -0.01 -0.18 0.00 -0.40 0.00 0.00 176.91 176.34 1xfr h ALA 87 N 0.85 1.48 -0.32 0.39 0.00 -0.60 -0.28 119.26 120.78 1xfr h ALA 87 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1xfr h ALA 87 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xfr h ALA 87 CO 0.01 0.37 0.10 0.37 0.00 0.00 0.00 179.25 180.10 1xfr h GLN 88 N 0.18 0.49 -0.22 0.00 5.75 -0.82 -2.63 115.11 117.87 1xfr h GLN 88 Ca 0.03 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1xfr h GLN 88 Cb 0.43 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 1xfr h GLN 88 CO 0.03 0.54 -0.08 1.96 -2.65 0.00 0.00 178.83 178.62 1xfr h GLN 89 N 0.36 -0.04 -0.40 1.69 1.08 -0.02 0.12 115.11 117.90 1xfr h GLN 89 Ca 0.10 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.35 1xfr h GLN 89 Cb 0.25 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.61 1xfr h GLN 89 CO -0.00 -0.03 -0.51 -0.07 -0.95 0.00 0.00 178.83 177.27 1xfr h LEU 90 N -0.04 -1.73 -0.93 1.46 4.07 -1.02 -0.30 115.31 116.82 1xfr h LEU 90 Ca 0.11 0.23 -0.11 0.00 0.08 0.00 0.00 57.88 58.19 1xfr h LEU 90 Cb 0.21 0.71 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 1xfr h LEU 90 CO -0.25 -0.36 -0.53 0.40 -1.08 0.00 0.00 178.44 176.62 1xfr h ILE 91 N -0.35 1.37 -0.28 1.22 5.03 -1.14 -1.42 117.51 121.94 1xfr h ILE 91 Ca 0.07 -1.83 -0.10 0.00 -0.12 0.00 0.00 64.86 62.88 1xfr h ILE 91 Cb 0.54 1.99 -0.01 0.00 -3.03 0.00 0.00 36.82 36.31 1xfr h ILE 91 CO -0.56 0.52 -0.24 -0.78 -0.68 0.00 0.00 178.15 176.41 1xfr h ASP 92 N 0.00 0.69 0.06 1.72 3.58 0.02 0.26 116.42 122.75 1xfr h ASP 92 Ca -0.01 -0.46 -0.00 0.00 0.42 0.00 0.00 57.03 56.98 1xfr h ASP 92 Cb 0.95 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1xfr h ASP 92 CO 0.07 1.00 -0.03 0.40 -2.88 0.00 0.00 179.24 177.80 1xfr h ILE 93 N 0.38 1.07 -0.02 2.25 2.04 -1.05 -2.18 117.51 119.99 1xfr h ILE 93 Ca 0.05 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1xfr h ILE 93 Cb 0.79 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1xfr h ILE 93 CO 0.06 0.11 0.01 0.58 0.00 0.00 0.00 178.15 178.91 1xfr h VAL 94 N -0.29 1.18 -0.19 1.67 2.07 -1.20 -1.52 116.25 117.97 1xfr h VAL 94 Ca -0.01 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1xfr h VAL 94 Cb 0.25 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1xfr h VAL 94 CO 0.01 0.14 -0.04 -0.74 0.02 0.00 0.00 177.57 176.96 1xfr h HIS 95 N -0.18 0.29 0.61 1.57 -0.00 -0.53 0.34 115.15 117.26 1xfr h HIS 95 Ca 0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 1xfr h HIS 95 Cb 0.22 -0.09 0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1xfr h HIS 95 CO -0.00 0.34 -0.30 0.78 -0.00 0.00 0.00 177.93 178.75 1xfr h GLY 96 N 0.64 -0.86 1.90 5.26 0.00 -1.23 -3.26 103.07 105.51 1xfr h GLY 96 Ca 0.06 0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.72 1xfr h GLY 96 CO 0.01 -0.31 0.04 0.00 0.00 0.00 0.00 176.54 176.28 1xfr h GLU 98 N 0.00 0.00 0.00 0.00 5.08 -0.98 -1.87 114.58 116.81 1xfr h GLU 98 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xfr h GLU 98 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xfr h GLU 98 CO -0.00 0.00 -0.43 0.36 -1.00 0.00 0.00 179.01 177.94 1xfr n LYS 99 N -3.70 1.69 -0.36 2.33 0.00 -0.98 -4.80 118.16 112.32 1xfr n LYS 99 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.45 1xfr n LYS 99 Cb 1.03 -0.71 0.10 0.00 -0.00 0.00 0.00 35.03 35.45 1xfr n LYS 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1xfr h SER 100 N 0.00 1.12 -2.45 -5.58 0.87 -1.02 -3.38 113.55 103.11 1xfr h SER 100 Ca 0.00 -0.03 -0.55 0.00 -1.23 0.00 0.00 61.79 59.98 1xfr h SER 100 Cb 0.43 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1xfr h SER 100 CO 0.00 0.81 1.21 -0.89 -0.53 0.00 0.00 176.83 177.43 1xfr s THR 101 N -6.12 3.29 0.38 2.23 2.01 -0.71 -4.99 115.64 111.73 1xfr s THR 101 Ca -0.13 0.34 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 1xfr s THR 101 Cb 0.18 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 1xfr s THR 101 CO 0.81 -0.06 1.08 -2.16 -0.69 0.00 0.00 174.62 173.60 1xfr s PRO 102 N 4.63 4.20 0.17 4.92 0.05 -1.26 -4.92 135.00 142.79 1xfr s PRO 102 Ca 0.83 1.63 0.00 0.00 0.05 0.00 0.00 61.00 63.51 1xfr s PRO 102 Cb -0.36 -2.66 0.00 0.00 0.05 0.00 0.00 34.50 31.53 1xfr s PRO 102 CO 0.35 -0.14 0.23 0.00 0.05 0.00 0.00 177.00 177.49 1xfr n ALA 103 N 0.14 -0.07 -2.14 8.56 0.00 -1.26 -4.95 120.51 120.80 1xfr n ALA 103 Ca 0.04 -0.85 -0.20 0.00 0.00 0.00 0.00 53.44 52.43 1xfr n ALA 103 Cb 0.48 0.68 0.02 0.00 0.00 0.00 0.00 19.45 20.63 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 -2.11 5.60 0.00 0.00 4.22 -1.26 -5.01 114.94 116.38 1xfr s ASN 104 Ca 0.16 -0.07 0.09 0.00 -2.14 0.00 0.00 52.86 50.90 1xfr s ASN 104 Cb -0.00 -1.03 0.52 0.00 1.28 0.00 0.00 41.25 42.03 1xfr s ASN 104 CO 0.11 -0.85 0.94 -0.67 -2.04 0.00 0.00 177.10 174.60 1xfr n ASP 105 N -2.06 0.00 -4.55 3.54 2.03 -1.26 -4.34 116.55 109.91 1xfr n ASP 105 Ca 0.05 -0.55 -0.23 0.00 0.52 0.00 0.00 54.79 54.58 1xfr n ASP 105 Cb 0.59 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.93 1xfr n ASP 105 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xfr n ASP 106 N -0.83 1.88 0.23 1.67 2.03 -1.26 -4.81 116.55 115.46 1xfr n ASP 106 Ca 0.07 -1.04 0.18 0.00 0.52 0.00 0.00 54.79 54.52 1xfr n ASP 106 Cb 0.03 -1.59 0.86 0.00 -0.72 0.00 0.00 41.12 39.71 1xfr n ASP 106 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1xfr h LYS 107 N 15.46 0.00 0.54 -0.67 6.56 -1.99 0.14 116.57 136.61 1xfr h LYS 107 Ca -0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.48 1xfr h LYS 107 Cb 1.12 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.76 1xfr h LYS 107 CO 1.09 0.00 -0.47 0.00 -2.06 0.00 0.00 179.45 178.01 1xfr h ILE 109 N -0.99 1.17 0.44 0.00 1.08 -1.06 -0.45 117.51 117.70 1xfr h ILE 109 Ca -0.07 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1xfr h ILE 109 Cb 0.84 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1xfr h ILE 109 CO -0.02 0.17 -0.40 -0.25 -0.69 0.00 0.00 178.15 176.97 1xfr h TRP 110 N 0.72 -1.09 -0.44 1.37 7.01 -1.08 -0.26 115.95 122.18 1xfr h TRP 110 Ca 0.19 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.20 1xfr h TRP 110 Cb 0.00 0.42 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 1xfr h TRP 110 CO -0.02 -0.54 0.29 1.15 -2.79 0.00 0.00 178.44 176.53 1xfr h THR 111 N -0.82 1.11 -0.23 2.65 2.02 -1.13 -0.32 112.91 116.18 1xfr h THR 111 Ca -0.06 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 66.98 1xfr h THR 111 Cb 0.70 0.47 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 1xfr h THR 111 CO -0.03 0.11 -0.30 0.25 0.37 0.00 0.00 175.52 175.92 1xfr h LEU 112 N 0.58 -0.96 -0.30 2.58 6.46 -0.83 0.83 115.31 123.68 1xfr h LEU 112 Ca 0.16 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1xfr h LEU 112 Cb -0.05 0.43 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1xfr h LEU 112 CO -0.04 -0.33 0.14 1.23 -0.62 0.00 0.00 178.44 178.82 1xfr h GLY 113 N -0.32 0.46 0.91 3.75 0.00 0.57 -0.15 103.07 108.28 1xfr h GLY 113 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.23 1xfr h GLY 113 CO -0.41 0.22 0.03 -2.08 0.00 0.00 0.00 176.54 174.30 1xfr h VAL 114 N 0.34 0.97 0.00 4.60 2.07 -0.99 0.50 116.25 123.74 1xfr h VAL 114 Ca 0.10 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1xfr h VAL 114 Cb 0.13 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1xfr h VAL 114 CO -0.01 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1xfr h ALA 115 N 1.07 1.00 0.13 1.67 0.00 -0.63 -1.70 119.26 120.80 1xfr h ALA 115 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 1xfr h ALA 115 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xfr h ALA 115 CO -0.05 0.00 -1.87 1.15 0.00 0.00 0.00 179.25 178.48 1xfr h THR 116 N 0.00 0.77 -0.29 0.00 2.02 -0.50 -1.31 112.91 113.59 1xfr h THR 116 Ca 0.00 -2.45 0.01 0.00 0.77 0.00 0.00 66.41 64.74 1xfr h THR 116 Cb 0.54 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1xfr h THR 116 CO 0.00 0.86 0.18 0.00 0.37 0.00 0.00 175.52 176.92 1xfr h PHE 118 N 0.36 0.51 -0.66 0.00 3.57 -1.40 -2.55 116.94 116.77 1xfr h PHE 118 Ca 0.11 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.73 1xfr h PHE 118 Cb -0.01 -0.17 -0.12 0.00 2.79 0.00 0.00 35.95 38.44 1xfr h PHE 118 CO -0.07 0.31 -0.42 -0.22 -2.23 0.00 0.00 178.31 175.68 1xfr h LYS 119 N 0.55 -0.16 -0.93 1.11 3.64 -1.07 -0.97 116.57 118.74 1xfr h LYS 119 Ca 0.16 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1xfr h LYS 119 Cb -0.04 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 1xfr h LYS 119 CO -0.05 -0.11 0.61 0.00 -2.27 0.00 0.00 179.45 177.63 1xfr h ALA 120 N 0.79 1.47 -1.00 5.00 0.00 -1.34 -0.91 119.26 123.27 1xfr h ALA 120 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xfr h ALA 120 Cb 0.56 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1xfr h ALA 120 CO -0.74 0.40 0.66 0.93 0.00 0.00 0.00 179.25 180.49 1xfr h GLU 121 N 1.08 1.31 0.04 0.00 4.39 -1.08 -1.81 114.58 118.53 1xfr h GLU 121 Ca 0.40 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1xfr h GLU 121 Cb 0.16 -0.30 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1xfr h GLU 121 CO -0.15 0.87 -0.06 0.82 -1.16 0.00 0.00 179.01 179.34 1xfr h ILE 122 N 1.35 0.87 -0.49 3.13 1.08 -0.70 0.30 117.51 123.05 1xfr h ILE 122 Ca 0.37 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.87 1xfr h ILE 122 Cb -0.15 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.43 1xfr h ILE 122 CO -0.08 0.00 0.27 0.45 -0.69 0.00 0.00 178.15 178.10 1xfr h HIS 123 N -0.12 0.51 -0.15 1.37 3.86 -1.38 0.52 115.15 119.77 1xfr h HIS 123 Ca 0.01 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1xfr h HIS 123 Cb 0.12 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1xfr h HIS 123 CO -0.10 0.28 -0.13 0.87 0.86 0.00 0.00 177.93 179.70 1xfr h LYS 124 N 0.54 0.23 -0.00 2.45 1.57 -0.71 -0.41 116.57 120.24 1xfr h LYS 124 Ca 0.20 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1xfr h LYS 124 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xfr h LYS 124 CO -0.11 0.37 -0.04 1.28 -0.57 0.00 0.00 179.45 180.38 1xfr n LEU 125 N -4.28 0.26 -1.15 2.94 4.77 0.10 -4.94 117.00 114.71 1xfr n LEU 125 Ca -0.01 0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 1xfr n LEU 125 Cb 0.27 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1xfr n LEU 125 CO 0.38 0.05 -0.14 -3.20 -1.33 0.00 0.00 177.39 173.14 1xfr n ASN 126 N -0.98 -5.10 -1.26 -1.43 2.85 -0.16 -4.91 115.26 104.26 1xfr n ASN 126 Ca 0.18 0.37 0.00 0.00 -0.11 0.00 0.00 54.58 55.02 1xfr n ASN 126 Cb 0.22 -3.92 0.00 0.00 1.24 0.00 0.00 39.78 37.32 1xfr n ASN 126 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1xfr n TRP 127 N -2.47 0.00 -0.14 1.20 7.02 0.01 -4.77 117.44 118.30 1xfr n TRP 127 Ca -0.15 -0.66 0.00 0.00 -1.02 0.00 0.00 57.50 55.67 1xfr n TRP 127 Cb 0.54 -0.35 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 1xfr n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67