#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4m h LEU 6 N 0.00 0.25 -0.49 -2.67 3.38 -2.00 -2.88 115.31 110.91 1w4m h LEU 6 Ca 0.00 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1w4m h LEU 6 Cb 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1w4m h LEU 6 CO 0.00 0.62 -0.23 1.23 0.09 0.00 0.00 178.44 180.15 1w4m h GLY 7 N 1.18 1.08 0.87 0.83 0.00 -2.01 -2.18 103.07 102.83 1w4m h GLY 7 Ca 0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 1w4m h GLY 7 CO 0.06 0.88 0.05 0.00 0.00 0.00 0.00 176.54 177.54 1w4m h ALA 8 N 0.87 0.17 -0.22 3.60 0.00 -1.97 -1.76 119.26 119.95 1w4m h ALA 8 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1w4m h ALA 8 Cb 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1w4m h ALA 8 CO 0.07 -0.23 0.12 1.25 0.00 0.00 0.00 179.25 180.46 1w4m h LEU 9 N 0.05 0.20 -0.54 0.00 5.85 -1.51 -1.90 115.31 117.47 1w4m h LEU 9 Ca 0.04 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1w4m h LEU 9 Cb 0.18 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 1w4m h LEU 9 CO -0.00 0.15 0.16 0.22 -0.34 0.00 0.00 178.44 178.62 1w4m h TYR 10 N 0.26 0.27 -0.39 1.25 5.03 -1.30 0.32 116.97 122.40 1w4m h TYR 10 Ca 0.08 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.45 1w4m h TYR 10 Cb -0.00 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 1w4m h TYR 10 CO -0.08 0.05 0.26 -0.07 -1.32 0.00 0.00 178.16 177.00 1w4m h LEU 11 N 0.32 0.36 -0.95 2.82 3.38 -0.87 0.19 115.31 120.56 1w4m h LEU 11 Ca 0.27 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 1w4m h LEU 11 Cb 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1w4m h LEU 11 CO -0.30 0.25 0.15 0.28 0.09 0.00 0.00 178.44 178.92 1w4m h SER 12 N 0.42 0.86 0.92 -0.43 0.02 -0.15 -1.69 113.55 113.49 1w4m h SER 12 Ca 0.16 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1w4m h SER 12 Cb 0.10 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1w4m h SER 12 CO -0.04 0.83 -0.39 0.23 -1.14 0.00 0.00 176.83 176.32 1w4m n MET 13 N -4.27 0.18 0.20 3.45 2.81 -0.41 -2.54 117.12 116.55 1w4m n MET 13 Ca 0.04 0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 1w4m n MET 13 Cb 0.23 -1.64 0.18 0.00 -0.71 0.00 0.00 33.22 31.28 1w4m n MET 13 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1w4m h LYS 14 N 0.00 0.00 0.00 0.03 3.64 0.19 -3.14 116.57 117.29 1w4m h LYS 14 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1w4m h LYS 14 Cb 0.65 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 32.56 1w4m h LYS 14 CO 0.00 0.00 -0.06 -3.47 -2.27 0.00 0.00 179.45 173.65 1w4m n ASP 15 N -2.99 -2.74 0.00 4.20 2.03 -0.79 -4.98 116.55 111.28 1w4m n ASP 15 Ca 0.04 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1w4m n ASP 15 Cb 0.52 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1w4m n ASP 15 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1w4m n THR 16 N -4.05 0.00 0.08 5.18 -2.24 -1.26 -4.38 114.28 107.62 1w4m n THR 16 Ca 0.05 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 1w4m n THR 16 Cb 0.23 -0.18 -0.15 0.00 -2.10 0.00 0.00 70.33 68.13 1w4m n THR 16 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1w4m h GLU 17 N 0.00 0.32 -0.87 -0.78 4.81 -1.96 -3.33 114.58 112.77 1w4m h GLU 17 Ca 0.00 -0.55 0.07 0.00 -0.13 0.00 0.00 59.36 58.74 1w4m h GLU 17 Cb 0.00 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1w4m h GLU 17 CO 0.00 1.22 0.57 0.87 -0.73 0.00 0.00 179.01 180.93 1w4m h LYS 18 N 0.09 0.94 0.00 1.92 6.56 -1.87 -3.43 116.57 120.78 1w4m h LYS 18 Ca -0.25 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.29 1w4m h LYS 18 Cb 2.05 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 33.50 1w4m h LYS 18 CO 0.19 0.62 0.00 0.41 -2.06 0.00 0.00 179.45 178.61 1w4m n GLY 19 N -1.41 0.73 3.42 3.86 0.00 -1.05 -4.86 105.19 105.89 1w4m n GLY 19 Ca 0.13 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 1w4m n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1w4m s ILE 20 N 1.11 1.30 -1.28 -0.61 -4.36 -1.19 -4.89 121.20 111.28 1w4m s ILE 20 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 60.65 60.33 1w4m s ILE 20 Cb 0.00 -2.28 0.15 0.00 1.25 0.00 0.00 42.46 41.59 1w4m s ILE 20 CO 0.00 0.00 2.21 0.29 0.24 0.00 0.00 174.94 177.68 1w4m n LYS 21 N -5.32 4.53 -1.52 0.37 4.76 -1.26 -4.75 118.16 114.96 1w4m n LYS 21 Ca 0.15 -3.64 -0.43 0.00 -2.87 0.00 0.00 58.31 51.52 1w4m n LYS 21 Cb 0.60 -2.66 -0.06 0.00 -1.84 0.00 0.00 35.03 31.08 1w4m n LYS 21 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1w4m n GLU 22 N 1.87 1.12 -4.99 1.97 0.28 -1.26 -4.93 120.64 114.70 1w4m n GLU 22 Ca 0.56 0.20 -0.29 0.00 -0.16 0.00 0.00 57.16 57.47 1w4m n GLU 22 Cb 0.27 -2.87 -0.17 0.00 1.43 0.00 0.00 31.44 30.10 1w4m n GLU 22 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1w4m s LEU 23 N 9.54 1.94 -0.32 -1.84 2.96 -1.26 -4.88 118.68 124.82 1w4m s LEU 23 Ca 1.07 -0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 54.25 1w4m s LEU 23 Cb -0.55 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1w4m s LEU 23 CO 0.38 0.13 1.99 0.20 -1.32 0.00 0.00 176.35 177.72 1w4m s ASN 24 N 0.35 5.60 -0.28 3.68 0.01 -1.26 -1.93 114.94 121.11 1w4m s ASN 24 Ca -0.14 1.43 -0.12 0.00 -0.71 0.00 0.00 52.86 53.31 1w4m s ASN 24 Cb -0.16 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 38.93 1w4m s ASN 24 CO 0.06 -1.92 0.24 -0.22 -1.51 0.00 0.00 177.10 173.75 1w4m s LEU 25 N 7.88 4.05 -0.18 0.60 0.20 -0.61 -4.89 118.68 125.72 1w4m s LEU 25 Ca 0.87 0.04 -0.02 0.00 0.69 0.00 0.00 54.13 55.72 1w4m s LEU 25 Cb -0.25 -2.19 -0.00 0.00 -0.43 0.00 0.00 46.19 43.31 1w4m s LEU 25 CO 0.33 -0.09 -0.10 -0.70 -0.29 0.00 0.00 176.35 175.49 1w4m s GLU 26 N 1.83 3.29 0.00 1.98 -6.30 -1.26 -0.60 118.70 117.65 1w4m s GLU 26 Ca 0.09 -0.69 0.00 0.00 -2.50 0.00 0.00 54.97 51.87 1w4m s GLU 26 Cb -0.16 -2.80 0.00 0.00 0.00 0.00 0.00 34.13 31.17 1w4m s GLU 26 CO 0.11 -0.08 0.00 1.17 0.02 0.00 0.00 175.26 176.48 1w4m n LYS 27 N 4.39 0.00 0.01 4.30 3.00 -0.95 -5.02 118.16 123.88 1w4m n LYS 27 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1w4m n LYS 27 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1w4m n LYS 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1w4m n ASP 28 N 0.00 0.28 -0.18 3.14 8.00 -1.26 -4.89 116.55 121.64 1w4m n ASP 28 Ca 0.00 0.04 0.04 0.00 0.71 0.00 0.00 54.79 55.58 1w4m n ASP 28 Cb 0.00 -0.08 0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1w4m n ASP 28 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1w4m n LYS 29 N -2.75 2.45 -4.53 -1.24 0.00 -1.26 -5.00 118.16 105.82 1w4m n LYS 29 Ca 0.00 -2.01 -0.21 0.00 0.00 0.00 0.00 58.31 56.08 1w4m n LYS 29 Cb 0.00 -1.26 -0.15 0.00 0.00 0.00 0.00 35.03 33.62 1w4m n LYS 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1w4m s LYS 30 N -1.73 1.02 -0.70 1.64 1.02 -1.26 -5.10 119.74 114.63 1w4m s LYS 30 Ca 0.16 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.63 1w4m s LYS 30 Cb 0.13 -1.00 0.17 0.00 -0.52 0.00 0.00 37.83 36.62 1w4m s LYS 30 CO 0.04 0.27 0.52 0.42 -0.92 0.00 0.00 175.35 175.67 1w4m s ILE 31 N -0.43 3.47 -0.30 2.17 1.01 -1.26 -2.25 121.20 123.61 1w4m s ILE 31 Ca 0.04 -3.64 -0.28 0.00 0.00 0.00 0.00 60.65 56.78 1w4m s ILE 31 Cb -0.06 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1w4m s ILE 31 CO -0.00 -0.96 2.02 -0.36 0.00 0.00 0.00 174.94 175.65 1w4m s PHE 32 N -0.84 1.48 -0.24 3.97 0.08 0.24 -4.90 117.98 117.76 1w4m s PHE 32 Ca 0.22 0.66 -0.29 0.00 0.12 0.00 0.00 56.93 57.64 1w4m s PHE 32 Cb -0.14 -4.00 -0.03 0.00 -0.57 0.00 0.00 43.02 38.28 1w4m s PHE 32 CO -0.09 -3.38 1.84 -0.80 -0.10 0.00 0.00 175.22 172.69 1w4m s ASN 33 N 7.54 6.01 -0.79 1.36 -0.87 -1.26 -1.57 114.94 125.36 1w4m s ASN 33 Ca 0.89 1.65 -0.01 0.00 -1.57 0.00 0.00 52.86 53.83 1w4m s ASN 33 Cb -0.26 -2.53 -0.00 0.00 -0.02 0.00 0.00 41.25 38.44 1w4m s ASN 33 CO 0.33 -1.56 0.67 1.41 -2.57 0.00 0.00 177.10 175.39 1w4m n HIS 34 N 9.73 -2.61 -3.43 2.20 8.25 -1.19 -1.95 115.22 126.21 1w4m n HIS 34 Ca 0.23 1.01 -0.37 0.00 -0.26 0.00 0.00 57.72 58.32 1w4m n HIS 34 Cb 0.45 -3.62 -0.07 0.00 1.12 0.00 0.00 29.99 27.88 1w4m n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1w4m n PHE 36 N 4.05 -0.16 -3.13 0.00 -1.74 -0.82 -4.67 117.46 111.00 1w4m n PHE 36 Ca -0.09 -0.53 -0.18 0.00 -0.56 0.00 0.00 57.45 56.08 1w4m n PHE 36 Cb 0.51 0.06 0.01 0.00 1.52 0.00 0.00 39.48 41.58 1w4m n PHE 36 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1w4m s THR 37 N -2.26 3.37 0.07 1.97 -4.23 -1.26 -0.88 115.64 112.42 1w4m s THR 37 Ca 0.08 -0.94 -0.12 0.00 -1.18 0.00 0.00 61.69 59.52 1w4m s THR 37 Cb 0.00 -3.16 -0.26 0.00 1.34 0.00 0.00 72.50 70.43 1w4m s THR 37 CO 0.05 -0.07 1.16 1.23 -0.54 0.00 0.00 174.62 176.46 1w4m h GLY 38 N 0.66 0.67 2.00 3.99 0.00 -1.63 -3.22 103.07 105.54 1w4m h GLY 38 Ca -0.42 -1.31 -0.01 0.00 0.00 0.00 0.00 47.33 45.59 1w4m h GLY 38 CO 0.49 1.15 -0.05 -0.57 0.00 0.00 0.00 176.54 177.56 1w4m h ASN 39 N 0.29 0.00 0.07 0.19 -0.00 -1.74 -2.82 115.58 111.57 1w4m h ASN 39 Ca -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.14 1w4m h ASN 39 Cb 1.81 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.13 1w4m h ASN 39 CO 0.22 0.05 -0.03 0.00 -0.00 0.00 0.00 177.43 177.66 1w4m h VAL 41 N -0.29 1.15 -0.48 0.00 2.07 -1.63 -0.86 116.25 116.22 1w4m h VAL 41 Ca -0.01 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1w4m h VAL 41 Cb 0.25 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1w4m h VAL 41 CO 0.02 0.18 0.19 0.40 0.02 0.00 0.00 177.57 178.37 1w4m h ILE 42 N 0.97 1.21 -0.37 4.57 1.08 -1.47 -0.83 117.51 122.67 1w4m h ILE 42 Ca 0.29 -0.65 -0.11 0.00 -0.39 0.00 0.00 64.86 64.00 1w4m h ILE 42 Cb -0.02 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 1w4m h ILE 42 CO -0.08 0.24 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.63 1w4m h ASP 43 N 0.63 0.83 -0.36 1.72 1.82 -0.85 -1.09 116.42 119.12 1w4m h ASP 43 Ca 0.16 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.37 1w4m h ASP 43 Cb 0.20 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 1w4m h ASP 43 CO -0.01 1.07 0.17 -0.25 -1.61 0.00 0.00 179.24 178.61 1w4m h TRP 44 N 0.60 0.53 -0.39 0.28 7.01 -1.06 -0.37 115.95 122.54 1w4m h TRP 44 Ca 0.08 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 1w4m h TRP 44 Cb 0.77 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 1w4m h TRP 44 CO 0.06 0.45 0.08 -0.07 -2.79 0.00 0.00 178.44 176.17 1w4m h LEU 45 N 0.45 0.61 -1.85 0.65 4.07 -1.14 -2.52 115.31 115.58 1w4m h LEU 45 Ca 0.12 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 1w4m h LEU 45 Cb 0.13 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 1w4m h LEU 45 CO -0.02 0.70 -0.11 0.58 -1.08 0.00 0.00 178.44 178.51 1w4m h VAL 46 N 0.49 0.97 0.00 1.22 2.07 -1.02 -0.94 116.25 119.04 1w4m h VAL 46 Ca 0.12 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1w4m h VAL 46 Cb 0.34 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1w4m h VAL 46 CO 0.00 0.11 -0.13 -1.28 0.02 0.00 0.00 177.57 176.29 1w4m h SER 47 N 0.00 0.00 -3.69 0.57 0.87 -0.63 -3.41 113.55 107.26 1w4m h SER 47 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1w4m h SER 47 Cb 0.21 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.19 1w4m h SER 47 CO 0.01 0.13 0.03 -3.20 -0.53 0.00 0.00 176.83 173.27 1w4m n ASN 48 N -3.24 0.28 -0.25 6.23 5.15 -0.36 -4.99 115.26 118.09 1w4m n ASN 48 Ca 0.01 -1.24 0.14 0.00 -0.60 0.00 0.00 54.58 52.89 1w4m n ASN 48 Cb 0.42 -0.14 0.59 0.00 -0.53 0.00 0.00 39.78 40.12 1w4m n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1w4m n GLN 49 N -1.40 1.10 0.34 1.20 1.13 -1.26 -4.20 117.38 114.29 1w4m n GLN 49 Ca 0.04 -0.49 -0.13 0.00 -1.94 0.00 0.00 57.00 54.47 1w4m n GLN 49 Cb 0.13 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 1w4m n GLN 49 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1w4m h SER 50 N 1.20 -0.74 -2.39 1.08 0.87 -1.92 -3.47 113.55 108.19 1w4m h SER 50 Ca 0.00 0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 60.02 1w4m h SER 50 Cb 0.38 0.19 -0.13 0.00 -0.44 0.00 0.00 62.40 62.39 1w4m h SER 50 CO 0.00 -0.46 -0.57 0.68 -0.53 0.00 0.00 176.83 175.95 1w4m s VAL 51 N -4.62 1.20 0.08 2.23 -7.23 -1.22 -5.04 120.40 105.79 1w4m s VAL 51 Ca -0.13 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1w4m s VAL 51 Cb 0.01 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1w4m s VAL 51 CO 0.38 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 174.03 1w4m n ARG 52 N -0.90 0.00 -2.10 4.82 3.00 -1.26 -4.37 116.66 115.85 1w4m n ARG 52 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.49 1w4m n ARG 52 Cb 0.66 -0.35 0.03 0.00 0.00 0.00 0.00 32.46 32.80 1w4m n ARG 52 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1w4m s ASN 53 N -5.35 5.66 0.17 6.15 0.01 -1.26 -4.84 114.94 115.49 1w4m s ASN 53 Ca 0.00 1.03 -0.10 0.00 -0.71 0.00 0.00 52.86 53.08 1w4m s ASN 53 Cb 0.00 -1.96 0.05 0.00 0.41 0.00 0.00 41.25 39.75 1w4m s ASN 53 CO 0.00 -1.13 1.63 -0.09 -1.51 0.00 0.00 177.10 176.00 1w4m h ARG 54 N -0.39 1.03 -0.73 -0.60 2.43 -1.98 -2.73 114.38 111.39 1w4m h ARG 54 Ca -0.45 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.36 1w4m h ARG 54 Cb 1.24 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1w4m h ARG 54 CO 0.62 1.01 0.34 1.96 -1.51 0.00 0.00 179.97 182.40 1w4m h GLN 55 N 0.92 1.06 -0.04 0.20 4.20 -1.98 -1.20 115.11 118.27 1w4m h GLN 55 Ca 0.16 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1w4m h GLN 55 Cb 0.55 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1w4m h GLN 55 CO 0.03 0.82 0.02 0.93 -0.67 0.00 0.00 178.83 179.97 1w4m h GLU 56 N 1.05 0.06 0.00 1.46 5.08 -1.90 -2.08 114.58 118.25 1w4m h GLU 56 Ca 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1w4m h GLU 56 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1w4m h GLU 56 CO -0.03 0.13 0.00 0.78 -1.00 0.00 0.00 179.01 178.89 1w4m h GLY 57 N -0.03 0.00 0.87 -3.84 0.00 -1.28 -2.76 103.07 96.04 1w4m h GLY 57 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.17 1w4m h GLY 57 CO -0.00 0.00 -0.70 -2.00 0.00 0.00 0.00 176.54 173.84 1w4m h LEU 58 N 0.00 0.61 -0.47 3.11 6.46 -0.57 -2.63 115.31 121.83 1w4m h LEU 58 Ca 0.00 -0.76 -0.16 0.00 -0.12 0.00 0.00 57.88 56.84 1w4m h LEU 58 Cb 0.42 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1w4m h LEU 58 CO 0.00 1.29 -0.49 0.00 -0.62 0.00 0.00 178.44 178.62 1w4m h MET 59 N -0.00 0.71 -0.02 1.25 -0.00 -1.27 -2.19 114.93 113.40 1w4m h MET 59 Ca -0.09 -0.42 -0.00 0.00 -0.00 0.00 0.00 59.70 59.19 1w4m h MET 59 Cb 1.40 0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 33.04 1w4m h MET 59 CO 0.14 1.04 0.01 0.82 -0.00 0.00 0.00 176.91 178.91 1w4m h ILE 60 N 0.56 1.11 0.00 -0.10 1.08 -1.57 -2.04 117.51 116.54 1w4m h ILE 60 Ca 0.03 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1w4m h ILE 60 Cb 1.06 1.29 -0.00 0.00 -3.07 0.00 0.00 36.82 36.09 1w4m h ILE 60 CO 0.10 0.08 -0.02 0.00 -0.69 0.00 0.00 178.15 177.63 1w4m h ALA 61 N 0.88 1.93 -0.74 1.87 0.00 -1.47 -0.96 119.26 120.76 1w4m h ALA 61 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1w4m h ALA 61 Cb 0.13 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1w4m h ALA 61 CO -0.00 0.03 0.29 1.03 0.00 0.00 0.00 179.25 180.60 1w4m h SER 62 N 0.00 1.03 -0.14 0.00 0.87 -0.72 -1.96 113.55 112.63 1w4m h SER 62 Ca -0.00 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 1w4m h SER 62 Cb 0.04 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1w4m h SER 62 CO 0.00 0.92 -0.09 -1.28 -0.53 0.00 0.00 176.83 175.86 1w4m h SER 63 N 1.07 0.45 0.41 6.23 0.87 -0.63 -1.22 113.55 120.73 1w4m h SER 63 Ca 0.25 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1w4m h SER 63 Cb 0.22 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1w4m h SER 63 CO -0.02 0.58 -0.34 -0.07 -0.53 0.00 0.00 176.83 176.45 1w4m h LEU 64 N 0.44 -0.91 -1.51 2.23 3.38 -0.96 -2.09 115.31 115.90 1w4m h LEU 64 Ca 0.09 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1w4m h LEU 64 Cb 0.43 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1w4m h LEU 64 CO 0.02 -0.50 -0.25 0.25 0.09 0.00 0.00 178.44 178.06 1w4m h LEU 65 N -0.75 0.00 -0.87 1.67 5.85 -1.35 -1.21 115.31 118.64 1w4m h LEU 65 Ca -0.04 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1w4m h LEU 65 Cb 0.66 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1w4m h LEU 65 CO -0.02 0.25 0.56 -1.13 -0.34 0.00 0.00 178.44 177.75 1w4m h ASN 66 N 0.00 0.91 1.54 1.25 -0.73 -0.58 -0.40 115.58 117.57 1w4m h ASN 66 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1w4m h ASN 66 Cb 0.45 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.85 1w4m h ASN 66 CO 0.03 0.61 0.00 -0.33 -0.37 0.00 0.00 177.43 177.38 1w4m h GLU 67 N 1.06 0.00 0.00 6.67 5.08 -1.02 -3.47 114.58 122.90 1w4m h GLU 67 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1w4m h GLU 67 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1w4m h GLU 67 CO -0.14 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.28 1w4m n GLY 68 N 1.11 1.15 0.12 -3.84 0.00 -0.16 -5.01 105.19 98.56 1w4m n GLY 68 Ca 0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1w4m n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1w4m h TYR 69 N 0.00 0.35 -1.98 1.61 0.05 -1.41 -3.46 116.97 112.12 1w4m h TYR 69 Ca 0.00 -0.13 -0.46 0.00 0.05 0.00 0.00 58.73 58.18 1w4m h TYR 69 Cb 0.02 -0.06 0.07 0.00 1.01 0.00 0.00 36.73 37.76 1w4m h TYR 69 CO 0.00 0.81 0.04 -0.51 -1.05 0.00 0.00 178.16 177.45 1w4m s LEU 70 N -8.88 3.06 -0.32 3.88 2.01 -1.26 -4.85 118.68 112.31 1w4m s LEU 70 Ca -0.15 -0.38 -0.02 0.00 0.01 0.00 0.00 54.13 53.59 1w4m s LEU 70 Cb 0.03 -2.08 0.12 0.00 0.01 0.00 0.00 46.19 44.28 1w4m s LEU 70 CO 0.75 -1.65 0.19 -1.58 1.01 0.00 0.00 176.35 175.06 1w4m s GLN 71 N -4.99 0.38 -0.33 1.70 2.00 -0.28 -4.87 119.66 113.26 1w4m s GLN 71 Ca 0.64 -0.91 -0.27 0.00 -2.00 0.00 0.00 55.36 52.81 1w4m s GLN 71 Cb -0.06 -1.19 -0.06 0.00 0.80 0.00 0.00 33.01 32.50 1w4m s GLN 71 CO 0.42 -1.12 2.31 -0.35 -0.50 0.00 0.00 175.29 176.05 1w4m n PRO 72 N 4.62 1.57 -3.46 1.67 -0.04 -1.26 -2.04 135.00 136.06 1w4m n PRO 72 Ca 0.04 0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 63.49 1w4m n PRO 72 Cb 0.40 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.48 1w4m n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1w4m s ALA 73 N 10.02 3.63 0.00 0.55 0.00 0.49 -4.68 121.76 131.77 1w4m s ALA 73 Ca 1.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1w4m s ALA 73 Cb -0.27 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1w4m s ALA 73 CO 0.31 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.98 1w4m n GLY 74 N -0.24 1.20 0.10 0.00 0.00 -1.26 -2.06 105.19 102.92 1w4m n GLY 74 Ca -0.01 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1w4m n GLY 74 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1w4m h ASP 75 N 0.00 0.15 0.51 1.61 3.32 -1.94 -3.23 116.42 116.84 1w4m h ASP 75 Ca 0.00 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1w4m h ASP 75 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1w4m h ASP 75 CO 0.00 1.25 -0.24 -0.03 -1.72 0.00 0.00 179.24 178.49 1w4m h MET 76 N 0.03 -0.66 0.00 3.56 4.05 -1.92 -2.23 114.93 117.75 1w4m h MET 76 Ca -0.28 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 1w4m h MET 76 Cb 2.00 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 32.95 1w4m h MET 76 CO 0.10 -0.39 0.00 -1.13 0.23 0.00 0.00 176.91 175.72 1w4m n SER 77 N -5.34 0.01 0.10 1.39 3.41 -1.26 -2.04 113.62 109.88 1w4m n SER 77 Ca -0.12 0.50 -0.16 0.00 -0.26 0.00 0.00 58.87 58.83 1w4m n SER 77 Cb 0.30 -0.50 -0.14 0.00 -0.26 0.00 0.00 64.21 63.61 1w4m n SER 77 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1w4m h LYS 78 N 0.00 0.27 0.00 4.33 1.63 -1.43 -3.24 116.57 118.12 1w4m h LYS 78 Ca 0.00 -0.46 -0.07 0.00 -0.85 0.00 0.00 60.65 59.27 1w4m h LYS 78 Cb 0.23 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 1w4m h LYS 78 CO 0.00 1.20 -1.02 0.66 -3.45 0.00 0.00 179.45 176.85 1w4m h SER 79 N 0.07 0.00 0.12 4.20 4.64 -1.01 -3.25 113.55 118.32 1w4m h SER 79 Ca -0.15 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1w4m h SER 79 Cb 1.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1w4m h SER 79 CO 0.20 0.25 -0.06 0.00 -0.87 0.00 0.00 176.83 176.35 1w4m h ALA 80 N 1.75 -0.16 -0.00 5.18 0.00 -1.50 -2.62 119.26 121.91 1w4m h ALA 80 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1w4m h ALA 80 Cb 1.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1w4m h ALA 80 CO 0.02 -0.48 -0.00 1.33 0.00 0.00 0.00 179.25 180.12 1w4m n VAL 81 N -5.06 0.00 0.02 0.00 0.24 -1.22 -3.89 118.33 108.42 1w4m n VAL 81 Ca -0.08 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.34 62.19 1w4m n VAL 81 Cb 0.17 -0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 32.07 1w4m n VAL 81 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1w4m h ASP 82 N 0.09 -0.08 0.00 -1.34 3.58 -1.50 -3.44 116.42 113.74 1w4m h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1w4m h ASP 82 Cb 0.02 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1w4m h ASP 82 CO 0.00 0.11 0.00 0.61 -2.88 0.00 0.00 179.24 177.08 1w4m n GLY 83 N 1.38 1.15 3.55 -0.78 0.00 -1.19 -4.82 105.19 104.49 1w4m n GLY 83 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1w4m n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w4m s THR 84 N 0.65 3.48 -0.29 2.61 2.01 -1.26 -4.83 115.64 118.01 1w4m s THR 84 Ca 0.00 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1w4m s THR 84 Cb 0.00 -4.19 0.29 0.00 0.01 0.00 0.00 72.50 68.61 1w4m s THR 84 CO 0.00 -1.14 1.75 0.00 -0.69 0.00 0.00 174.62 174.53 1w4m n ALA 85 N 12.29 4.67 -0.01 7.40 0.00 -1.25 -4.40 120.51 139.21 1w4m n ALA 85 Ca 0.25 -1.66 -0.02 0.00 0.00 0.00 0.00 53.44 52.00 1w4m n ALA 85 Cb 0.50 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 18.88 1w4m n ALA 85 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1w4m h GLU 86 N 1.02 0.54 -2.33 0.00 4.57 -1.88 -3.32 114.58 113.19 1w4m h GLU 86 Ca 0.33 -0.15 -0.59 0.00 -1.18 0.00 0.00 59.36 57.77 1w4m h GLU 86 Cb 1.45 -0.06 -0.40 0.00 -0.16 0.00 0.00 28.75 29.57 1w4m h GLU 86 CO 0.71 0.63 -0.83 0.09 -1.18 0.00 0.00 179.01 178.43 1w4m n ASN 87 N -4.22 1.68 0.11 1.04 3.02 -1.26 -5.00 115.26 110.63 1w4m n ASN 87 Ca 0.01 -2.96 -0.06 0.00 -0.03 0.00 0.00 54.58 51.54 1w4m n ASN 87 Cb 0.31 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 1w4m n ASN 87 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1w4m h PRO 88 N 4.62 -0.32 -6.60 3.52 0.11 -1.90 -3.42 132.00 128.00 1w4m h PRO 88 Ca 0.16 0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.77 1w4m h PRO 88 Cb 0.79 0.07 0.04 0.00 0.11 0.00 0.00 31.00 32.02 1w4m h PRO 88 CO 0.61 -0.22 0.83 0.12 -0.21 0.00 0.00 178.00 179.13 1w4m s PHE 89 N -3.89 3.11 -0.10 0.65 2.19 -1.26 -4.87 117.98 113.81 1w4m s PHE 89 Ca -0.06 0.74 0.04 0.00 0.33 0.00 0.00 56.93 57.98 1w4m s PHE 89 Cb 0.01 -3.86 0.00 0.00 -1.31 0.00 0.00 43.02 37.87 1w4m s PHE 89 CO 0.19 -3.10 -0.24 -0.51 1.83 0.00 0.00 175.22 173.39 1w4m s LEU 90 N 1.03 2.08 -0.19 6.12 1.43 -1.26 -4.94 118.68 122.95 1w4m s LEU 90 Ca 0.68 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1w4m s LEU 90 Cb -0.42 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.45 1w4m s LEU 90 CO 0.32 0.16 2.38 -0.90 0.23 0.00 0.00 176.35 178.53 1w4m n ASP 91 N 3.54 5.94 -4.68 2.29 5.75 -1.26 -4.27 116.55 123.87 1w4m n ASP 91 Ca -0.19 -2.80 -0.23 0.00 -0.01 0.00 0.00 54.79 51.56 1w4m n ASP 91 Cb 0.53 -1.16 -0.07 0.00 -1.03 0.00 0.00 41.12 39.39 1w4m n ASP 91 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1w4m s ASN 92 N 1.04 4.70 0.17 -1.12 0.01 -1.26 -4.40 114.94 114.08 1w4m s ASN 92 Ca 0.31 -0.61 0.25 0.00 -0.71 0.00 0.00 52.86 52.11 1w4m s ASN 92 Cb 0.20 -0.91 0.57 0.00 0.41 0.00 0.00 41.25 41.52 1w4m s ASN 92 CO -0.04 -0.05 1.54 -0.81 -1.51 0.00 0.00 177.10 176.24 1w4m n PRO 93 N -0.97 0.28 0.10 -0.60 -0.05 -1.26 -3.62 135.00 128.88 1w4m n PRO 93 Ca -0.06 0.15 -0.18 0.00 -0.05 0.00 0.00 63.50 63.36 1w4m n PRO 93 Cb 0.59 -1.75 -0.12 0.00 -0.05 0.00 0.00 33.50 32.17 1w4m n PRO 93 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 1w4m h ASP 94 N 0.00 0.58 -3.39 3.54 5.19 -1.96 -3.45 116.42 116.93 1w4m h ASP 94 Ca 0.00 -0.57 -0.53 0.00 -0.62 0.00 0.00 57.03 55.31 1w4m h ASP 94 Cb 0.75 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 1w4m h ASP 94 CO 0.00 1.42 0.43 0.00 -3.12 0.00 0.00 179.24 177.97 1w4m s ALA 95 N -2.82 3.25 0.12 3.45 0.00 -1.25 -4.95 121.76 119.58 1w4m s ALA 95 Ca -0.06 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 52.55 1w4m s ALA 95 Cb 0.07 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1w4m s ALA 95 CO 0.90 -0.26 0.29 -0.06 0.00 0.00 0.00 175.76 176.64 1w4m s PHE 96 N 0.76 3.50 -0.26 0.00 0.08 -0.88 -3.67 117.98 117.52 1w4m s PHE 96 Ca 0.53 0.29 -0.01 0.00 0.12 0.00 0.00 56.93 57.86 1w4m s PHE 96 Cb -0.24 -1.80 0.14 0.00 -0.57 0.00 0.00 43.02 40.54 1w4m s PHE 96 CO 0.29 0.50 0.37 0.71 -0.10 0.00 0.00 175.22 176.99 1w4m s TYR 97 N -1.67 -0.80 0.44 0.36 2.02 -0.06 -0.37 117.35 117.27 1w4m s TYR 97 Ca 0.37 0.57 0.06 0.00 -0.37 0.00 0.00 57.07 57.70 1w4m s TYR 97 Cb -0.12 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.31 1w4m s TYR 97 CO 0.28 -0.80 0.18 1.52 -1.57 0.00 0.00 175.55 175.15 1w4m s TYR 98 N 2.51 2.37 -2.63 2.71 1.13 -0.87 -1.94 117.35 120.65 1w4m s TYR 98 Ca 0.11 -0.68 0.27 0.00 -1.41 0.00 0.00 57.07 55.37 1w4m s TYR 98 Cb -0.15 -1.90 0.83 0.00 -1.10 0.00 0.00 41.96 39.65 1w4m s TYR 98 CO -0.21 0.12 1.62 1.19 -2.51 0.00 0.00 175.55 175.76