#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 0.83 -0.11 -2.67 3.38 -2.02 -2.40 115.31 112.32 1w4m h LEU 6 Ca 0.00 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1w4m h LEU 6 Cb 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1w4m h LEU 6 CO 0.00 1.30 -0.02 1.23 0.09 0.00 0.00 178.44 181.04 1w4m h GLY 7 N 0.77 0.23 0.89 0.83 0.00 -2.02 -1.46 103.07 102.31 1w4m h GLY 7 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1w4m h GLY 7 CO 0.14 0.17 0.04 0.00 0.00 0.00 0.00 176.54 176.89 1w4m h ALA 8 N 0.70 0.12 -0.68 3.60 0.00 -1.99 -1.28 119.26 119.74 1w4m h ALA 8 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1w4m h ALA 8 Cb 0.42 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1w4m h ALA 8 CO 0.01 -0.31 0.41 1.25 0.00 0.00 0.00 179.25 180.61 1w4m h LEU 9 N 0.02 0.66 -0.59 0.00 5.85 -1.47 -1.00 115.31 118.77 1w4m h LEU 9 Ca 0.03 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1w4m h LEU 9 Cb 0.13 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1w4m h LEU 9 CO -0.00 0.45 0.38 0.22 -0.34 0.00 0.00 178.44 179.14 1w4m h TYR 10 N 0.79 0.71 0.00 1.25 3.20 -1.07 -0.40 116.97 121.45 1w4m h TYR 10 Ca 0.28 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 1w4m h TYR 10 Cb 0.07 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 1w4m h TYR 10 CO -0.05 0.43 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.76 1w4m h LEU 11 N 0.76 0.00 -0.12 2.82 3.38 -0.42 -1.24 115.31 120.50 1w4m h LEU 11 Ca 0.22 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.96 1w4m h LEU 11 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1w4m h LEU 11 CO -0.07 0.07 -1.00 0.28 0.09 0.00 0.00 178.44 177.81 1w4m h SER 12 N 0.00 0.46 -0.84 -0.43 0.02 0.17 -3.19 113.55 109.74 1w4m h SER 12 Ca -0.00 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1w4m h SER 12 Cb 0.25 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1w4m h SER 12 CO 0.01 1.22 0.43 0.24 -1.14 0.00 0.00 176.83 177.59 1w4m h MET 13 N 0.17 1.20 -0.60 3.45 2.86 -0.18 -1.19 114.93 120.64 1w4m h MET 13 Ca -0.09 -0.16 0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1w4m h MET 13 Cb 1.66 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 33.06 1w4m h MET 13 CO 0.17 0.90 0.40 0.87 1.06 0.00 0.00 176.91 180.31 1w4m h LYS 14 N 1.19 0.35 -7.08 1.72 6.56 -1.46 -2.46 116.57 115.39 1w4m h LYS 14 Ca 0.29 -0.02 -0.52 0.00 -1.06 0.00 0.00 60.65 59.34 1w4m h LYS 14 Cb 0.08 -0.08 0.10 0.00 -0.57 0.00 0.00 32.23 31.76 1w4m h LYS 14 CO -0.04 0.23 0.47 0.34 -2.06 0.00 0.00 179.45 178.39 1w4m s ASP 15 N -6.23 5.48 -0.10 0.86 -1.08 -0.70 -4.88 116.67 110.02 1w4m s ASP 15 Ca -0.07 2.35 -0.01 0.00 -0.52 0.00 0.00 52.55 54.29 1w4m s ASP 15 Cb 0.20 -2.60 -0.25 0.00 -1.46 0.00 0.00 42.92 38.81 1w4m s ASP 15 CO 0.75 -1.40 0.45 0.35 0.52 0.00 0.00 175.17 175.84 1w4m n THR 16 N -1.32 1.74 -0.03 1.71 -2.24 -1.25 -2.05 114.28 110.83 1w4m n THR 16 Ca 0.12 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 1w4m n THR 16 Cb 0.49 -1.54 -0.09 0.00 -2.10 0.00 0.00 70.33 67.09 1w4m n THR 16 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1w4m h GLU 17 N 0.05 0.27 0.00 -0.78 4.39 -1.93 -3.39 114.58 113.19 1w4m h GLU 17 Ca -0.39 -0.20 -0.23 0.00 0.34 0.00 0.00 59.36 58.88 1w4m h GLU 17 Cb 2.03 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.68 1w4m h GLU 17 CO 0.09 0.83 -1.29 1.63 -1.16 0.00 0.00 179.01 179.11 1w4m n LYS 18 N -4.52 0.56 -0.29 2.33 4.01 -1.26 -5.00 118.16 113.99 1w4m n LYS 18 Ca -0.08 0.56 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 1w4m n LYS 18 Cb 0.44 -1.73 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 1w4m n LYS 18 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1w4m n GLY 19 N 1.43 0.56 3.65 0.72 0.00 -0.53 -4.92 105.19 106.10 1w4m n GLY 19 Ca -0.32 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 1w4m n GLY 19 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1w4m n ILE 20 N -0.82 2.00 -2.92 -0.61 -5.35 -0.93 -4.40 119.36 106.33 1w4m n ILE 20 Ca 0.00 -0.23 -0.25 0.00 -0.27 0.00 0.00 62.75 62.00 1w4m n ILE 20 Cb 0.00 -1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 36.74 1w4m n ILE 20 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1w4m n LYS 21 N -2.89 2.75 -0.39 6.28 5.02 -1.26 -3.92 118.16 123.75 1w4m n LYS 21 Ca 0.13 -4.47 -0.08 0.00 -2.02 0.00 0.00 58.31 51.87 1w4m n LYS 21 Cb 0.50 -2.10 0.06 0.00 -0.02 0.00 0.00 35.03 33.48 1w4m n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1w4m n GLU 22 N -0.17 -1.02 -4.26 1.97 -0.58 -1.26 -5.09 120.64 110.22 1w4m n GLU 22 Ca 0.30 -0.51 -0.14 0.00 -0.42 0.00 0.00 57.16 56.39 1w4m n GLU 22 Cb 0.49 -0.41 -0.10 0.00 -0.57 0.00 0.00 31.44 30.85 1w4m n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1w4m s LEU 23 N 0.00 2.08 -0.58 -4.62 1.02 -1.26 -4.92 118.68 110.40 1w4m s LEU 23 Ca 0.20 -1.20 -0.26 0.00 0.02 0.00 0.00 54.13 52.89 1w4m s LEU 23 Cb -0.01 -0.09 -0.06 0.00 0.02 0.00 0.00 46.19 46.05 1w4m s LEU 23 CO 0.14 -0.57 2.23 0.54 0.02 0.00 0.00 176.35 178.71 1w4m s ASN 24 N -3.21 4.65 0.09 2.29 2.20 -1.26 -2.86 114.94 116.85 1w4m s ASN 24 Ca 0.26 0.68 -0.18 0.00 -0.94 0.00 0.00 52.86 52.68 1w4m s ASN 24 Cb 0.06 -2.52 -0.07 0.00 -2.00 0.00 0.00 41.25 36.73 1w4m s ASN 24 CO 0.06 -2.84 0.56 -0.22 -2.94 0.00 0.00 177.10 171.72 1w4m s LEU 25 N 11.49 4.47 0.02 3.54 2.96 -0.60 -4.88 118.68 135.67 1w4m s LEU 25 Ca 0.87 1.20 0.06 0.00 -0.22 0.00 0.00 54.13 56.04 1w4m s LEU 25 Cb -0.15 -3.00 -0.02 0.00 0.50 0.00 0.00 46.19 43.52 1w4m s LEU 25 CO 0.21 0.22 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.60 1w4m s GLU 26 N -1.37 1.22 0.00 1.98 2.12 -1.26 -0.24 118.70 121.15 1w4m s GLU 26 Ca 0.32 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1w4m s GLU 26 Cb -0.18 -1.24 0.00 0.00 0.26 0.00 0.00 34.13 32.97 1w4m s GLU 26 CO 0.19 0.32 0.00 1.17 -0.54 0.00 0.00 175.26 176.40 1w4m n LYS 27 N 2.20 0.00 0.00 4.30 0.00 -1.07 -4.99 118.16 118.60 1w4m n LYS 27 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.15 1w4m n LYS 27 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 1w4m n LYS 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1w4m n ASP 28 N -0.29 0.00 0.00 3.14 -0.08 -1.26 -4.91 116.55 113.15 1w4m n ASP 28 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1w4m n ASP 28 Cb 0.00 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1w4m n ASP 28 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1w4m n LYS 29 N -2.06 1.19 -4.80 -0.67 3.00 -1.26 -5.03 118.16 108.53 1w4m n LYS 29 Ca 0.00 -0.98 -0.32 0.00 -0.00 0.00 0.00 58.31 57.01 1w4m n LYS 29 Cb 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 35.03 33.98 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 -0.51 2.36 -0.73 1.64 1.02 -1.26 -5.08 119.74 117.18 1w4m s LYS 30 Ca 0.00 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 1w4m s LYS 30 Cb 0.00 -2.32 0.19 0.00 -0.52 0.00 0.00 37.83 35.18 1w4m s LYS 30 CO 0.00 0.59 0.58 0.42 -0.92 0.00 0.00 175.35 176.03 1w4m s ILE 31 N -0.81 4.13 -0.09 2.17 -1.09 -1.26 -2.61 121.20 121.64 1w4m s ILE 31 Ca 0.13 -3.18 -0.29 0.00 -2.23 0.00 0.00 60.65 55.08 1w4m s ILE 31 Cb -0.11 -3.63 -0.07 0.00 -1.58 0.00 0.00 42.46 37.08 1w4m s ILE 31 CO 0.03 -0.96 1.99 -0.36 -1.23 0.00 0.00 174.94 174.40 1w4m s PHE 32 N -0.43 1.39 -0.64 3.97 0.08 0.67 -4.88 117.98 118.13 1w4m s PHE 32 Ca 0.20 0.05 -0.26 0.00 0.12 0.00 0.00 56.93 57.04 1w4m s PHE 32 Cb -0.15 -4.09 -0.04 0.00 -0.57 0.00 0.00 43.02 38.17 1w4m s PHE 32 CO -0.07 -4.62 1.97 -0.80 -0.10 0.00 0.00 175.22 171.61 1w4m s ASN 33 N 5.65 5.09 -0.55 1.36 0.02 -1.26 -1.55 114.94 123.69 1w4m s ASN 33 Ca 0.89 0.28 -0.10 0.00 -1.02 0.00 0.00 52.86 52.91 1w4m s ASN 33 Cb -0.36 -2.53 0.01 0.00 0.02 0.00 0.00 41.25 38.39 1w4m s ASN 33 CO 0.37 -2.55 0.64 1.41 0.02 0.00 0.00 177.10 176.98 1w4m n HIS 34 N 13.58 -3.29 -3.32 2.20 8.25 -1.13 -2.12 115.22 129.39 1w4m n HIS 34 Ca 0.26 1.30 -0.38 0.00 -0.26 0.00 0.00 57.72 58.64 1w4m n HIS 34 Cb 0.51 -4.10 -0.06 0.00 1.12 0.00 0.00 29.99 27.46 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 2.17 -0.02 -3.42 0.00 -1.74 -0.65 -4.64 117.46 109.17 1w4m n PHE 36 Ca -0.10 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.70 1w4m n PHE 36 Cb 0.51 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.52 1w4m n PHE 36 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1w4m n THR 37 N 0.00 0.00 -0.08 1.97 -2.24 -1.26 -0.77 114.28 111.90 1w4m n THR 37 Ca 0.00 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1w4m n THR 37 Cb 0.00 -0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 67.64 1w4m n THR 37 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1w4m h GLY 38 N 0.17 0.00 2.00 3.38 0.00 -1.52 -3.34 103.07 103.76 1w4m h GLY 38 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1w4m h GLY 38 CO 0.18 0.00 0.00 -0.57 0.00 0.00 0.00 176.54 176.15 1w4m h ASN 39 N -1.00 0.00 0.80 0.19 -0.73 -1.71 -2.95 115.58 110.18 1w4m h ASN 39 Ca -0.12 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.01 1w4m h ASN 39 Cb 0.88 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.48 1w4m h ASN 39 CO -0.07 0.00 -0.39 0.00 -0.37 0.00 0.00 177.43 176.60 1w4m h VAL 41 N -1.09 0.86 -0.97 0.00 2.07 -1.68 -1.14 116.25 114.29 1w4m h VAL 41 Ca -0.11 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.33 1w4m h VAL 41 Cb 0.83 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1w4m h VAL 41 CO 0.18 0.12 0.61 0.40 0.02 0.00 0.00 177.57 178.90 1w4m h ILE 42 N 0.65 0.86 -0.21 4.57 1.08 -1.52 0.11 117.51 123.05 1w4m h ILE 42 Ca 0.37 -0.29 -0.14 0.00 -0.39 0.00 0.00 64.86 64.40 1w4m h ILE 42 Cb 0.38 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 1w4m h ILE 42 CO -0.27 0.16 -0.45 -0.78 -0.69 0.00 0.00 178.15 176.12 1w4m h ASP 43 N 0.86 0.57 0.12 1.72 3.58 -0.64 -1.49 116.42 121.14 1w4m h ASP 43 Ca 0.50 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1w4m h ASP 43 Cb 0.64 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1w4m h ASP 43 CO -0.26 0.94 -0.06 -0.25 -2.88 0.00 0.00 179.24 176.73 1w4m h TRP 44 N 0.43 -0.14 -0.24 0.28 7.01 -0.42 0.04 115.95 122.91 1w4m h TRP 44 Ca 0.03 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.06 1w4m h TRP 44 Cb 0.96 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 28.04 1w4m h TRP 44 CO 0.04 0.20 0.05 -0.07 -2.79 0.00 0.00 178.44 175.87 1w4m h LEU 45 N -0.51 0.03 -1.45 0.65 4.07 -0.89 -1.06 115.31 116.14 1w4m h LEU 45 Ca -0.02 0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1w4m h LEU 45 Cb 0.41 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1w4m h LEU 45 CO 0.03 0.05 0.07 0.58 -1.08 0.00 0.00 178.44 178.09 1w4m h VAL 46 N 0.15 1.15 0.00 1.22 2.07 -1.27 -0.96 116.25 118.60 1w4m h VAL 46 Ca 0.11 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1w4m h VAL 46 Cb 0.10 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1w4m h VAL 46 CO -0.14 0.18 0.00 0.77 0.02 0.00 0.00 177.57 178.41 1w4m h SER 47 N 0.44 0.00 -2.57 0.57 4.64 -0.12 -3.41 113.55 113.09 1w4m h SER 47 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1w4m h SER 47 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1w4m h SER 47 CO -0.00 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.76 1w4m n ASN 48 N -2.67 0.00 -0.77 4.97 5.15 -0.37 -5.00 115.26 116.57 1w4m n ASN 48 Ca 0.03 -0.58 0.12 0.00 -0.60 0.00 0.00 54.58 53.55 1w4m n ASN 48 Cb 0.36 0.00 0.30 0.00 -0.53 0.00 0.00 39.78 39.92 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 -0.58 2.04 0.06 1.20 6.02 -1.26 -4.30 117.38 120.56 1w4m n GLN 49 Ca 0.00 -1.54 -0.12 0.00 -0.01 0.00 0.00 57.00 55.33 1w4m n GLN 49 Cb 0.00 -1.46 -0.09 0.00 1.02 0.00 0.00 30.24 29.71 1w4m n GLN 49 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1w4m h SER 50 N 3.46 -0.16 -4.44 1.08 0.87 -1.92 -3.47 113.55 108.96 1w4m h SER 50 Ca 0.00 -0.34 -0.37 0.00 -1.23 0.00 0.00 61.79 59.85 1w4m h SER 50 Cb 0.74 0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 62.60 1w4m h SER 50 CO 0.00 0.30 -0.61 0.68 -0.53 0.00 0.00 176.83 176.67 1w4m s VAL 51 N -4.19 0.56 0.06 2.23 -7.23 -1.19 -5.02 120.40 105.62 1w4m s VAL 51 Ca -0.14 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 1w4m s VAL 51 Cb 0.02 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1w4m s VAL 51 CO 0.58 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.91 1w4m n ARG 52 N -0.50 0.00 -2.18 4.82 3.00 -1.26 -4.32 116.66 116.22 1w4m n ARG 52 Ca -0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 1w4m n ARG 52 Cb 0.66 -0.49 -0.00 0.00 0.00 0.00 0.00 32.46 32.63 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 -5.57 6.31 0.30 0.55 0.02 -1.26 -4.84 114.94 110.45 1w4m s ASN 53 Ca 0.00 1.30 0.03 0.00 -1.02 0.00 0.00 52.86 53.18 1w4m s ASN 53 Cb 0.00 -2.41 0.49 0.00 0.02 0.00 0.00 41.25 39.35 1w4m s ASN 53 CO 0.00 -0.73 1.78 -0.09 0.02 0.00 0.00 177.10 178.08 1w4m h ARG 54 N 0.07 0.49 -0.46 -0.60 2.43 -1.97 -2.64 114.38 111.71 1w4m h ARG 54 Ca -0.45 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 58.48 1w4m h ARG 54 Cb 1.19 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1w4m h ARG 54 CO 0.62 0.64 -0.08 0.37 -1.51 0.00 0.00 179.97 180.01 1w4m h GLN 55 N 0.45 0.80 -0.29 0.20 4.15 -1.98 -1.24 115.11 117.20 1w4m h GLN 55 Ca 0.08 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 1w4m h GLN 55 Cb 0.53 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1w4m h GLN 55 CO 0.03 0.85 0.04 0.93 -1.93 0.00 0.00 178.83 178.76 1w4m h GLU 56 N 0.73 0.49 0.00 1.69 5.08 -1.87 -2.46 114.58 118.24 1w4m h GLU 56 Ca 0.13 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1w4m h GLU 56 Cb 0.55 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1w4m h GLU 56 CO 0.03 0.60 0.00 0.78 -1.00 0.00 0.00 179.01 179.42 1w4m h GLY 57 N 0.31 0.00 0.95 -3.84 0.00 -1.35 -2.78 103.07 96.35 1w4m h GLY 57 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.21 1w4m h GLY 57 CO 0.01 0.00 -0.85 -2.00 0.00 0.00 0.00 176.54 173.70 1w4m h LEU 58 N 0.00 0.67 -0.31 3.11 6.46 -0.82 -2.63 115.31 121.80 1w4m h LEU 58 Ca 0.00 -0.79 -0.18 0.00 -0.12 0.00 0.00 57.88 56.78 1w4m h LEU 58 Cb 0.52 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1w4m h LEU 58 CO 0.00 1.39 -0.53 0.00 -0.62 0.00 0.00 178.44 178.68 1w4m h MET 59 N 0.04 0.89 -0.17 1.25 -0.00 -1.38 -2.43 114.93 113.13 1w4m h MET 59 Ca -0.12 -0.56 -0.00 0.00 -0.00 0.00 0.00 59.70 59.03 1w4m h MET 59 Cb 1.55 0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 33.20 1w4m h MET 59 CO 0.16 1.19 0.10 0.82 -0.00 0.00 0.00 176.91 179.19 1w4m h ILE 60 N 0.69 1.07 -0.23 -0.10 1.08 -1.59 -1.81 117.51 116.62 1w4m h ILE 60 Ca 0.02 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1w4m h ILE 60 Cb 1.14 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1w4m h ILE 60 CO 0.12 0.06 0.15 0.00 -0.69 0.00 0.00 178.15 177.80 1w4m h ALA 61 N 1.03 1.90 -0.83 1.87 0.00 -1.46 -1.00 119.26 120.76 1w4m h ALA 61 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1w4m h ALA 61 Cb 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1w4m h ALA 61 CO -0.01 0.08 0.44 0.77 0.00 0.00 0.00 179.25 180.53 1w4m h SER 62 N 0.26 1.06 -0.05 0.00 0.02 -0.82 -1.58 113.55 112.43 1w4m h SER 62 Ca 0.09 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1w4m h SER 62 Cb 0.05 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1w4m h SER 62 CO -0.02 0.87 -0.15 -1.28 -1.14 0.00 0.00 176.83 175.11 1w4m h SER 63 N 1.17 0.37 0.60 3.07 0.87 -0.75 -0.75 113.55 118.12 1w4m h SER 63 Ca 0.29 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1w4m h SER 63 Cb 0.06 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1w4m h SER 63 CO -0.04 0.54 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.26 1w4m h LEU 64 N 0.35 -1.25 -1.04 2.23 3.38 -0.85 -1.72 115.31 116.41 1w4m h LEU 64 Ca 0.07 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1w4m h LEU 64 Cb 0.47 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1w4m h LEU 64 CO 0.03 -0.67 -0.37 0.25 0.09 0.00 0.00 178.44 177.77 1w4m h LEU 65 N -1.04 0.22 -0.46 1.67 5.85 -1.44 -1.32 115.31 118.79 1w4m h LEU 65 Ca -0.07 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1w4m h LEU 65 Cb 0.88 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1w4m h LEU 65 CO 0.01 0.57 0.20 -1.13 -0.34 0.00 0.00 178.44 177.75 1w4m h ASN 66 N 0.18 0.25 0.87 1.25 -0.73 -0.87 -0.04 115.58 116.49 1w4m h ASN 66 Ca 0.02 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 1w4m h ASN 66 Cb 0.74 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.33 1w4m h ASN 66 CO 0.06 0.18 -0.08 -0.33 -0.37 0.00 0.00 177.43 176.89 1w4m h GLU 67 N 0.39 0.00 0.00 6.67 5.08 -1.21 -3.46 114.58 122.05 1w4m h GLU 67 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1w4m h GLU 67 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1w4m h GLU 67 CO -0.18 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.32 1w4m n GLY 68 N -0.07 1.28 0.21 -3.84 0.00 -0.03 -5.02 105.19 97.72 1w4m n GLY 68 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.91 -2.01 1.61 0.05 -1.40 -3.46 116.97 112.67 1w4m h TYR 69 Ca 0.00 -0.35 -0.43 0.00 0.05 0.00 0.00 58.73 58.00 1w4m h TYR 69 Cb 0.00 -0.16 0.04 0.00 1.01 0.00 0.00 36.73 37.61 1w4m h TYR 69 CO 0.00 1.14 -0.13 -0.51 -1.05 0.00 0.00 178.16 177.61 1w4m s LEU 70 N -8.68 3.44 -0.25 3.88 2.01 -1.26 -4.88 118.68 112.95 1w4m s LEU 70 Ca -0.12 -0.21 -0.01 0.00 0.01 0.00 0.00 54.13 53.80 1w4m s LEU 70 Cb 0.08 -2.75 0.08 0.00 0.01 0.00 0.00 46.19 43.61 1w4m s LEU 70 CO 0.86 -0.98 0.05 -1.58 1.01 0.00 0.00 176.35 175.70 1w4m s GLN 71 N -4.58 0.82 -0.19 1.70 2.00 -0.77 -4.89 119.66 113.75 1w4m s GLN 71 Ca 0.56 -0.79 -0.29 0.00 -2.00 0.00 0.00 55.36 52.85 1w4m s GLN 71 Cb -0.10 -2.13 -0.06 0.00 0.80 0.00 0.00 33.01 31.52 1w4m s GLN 71 CO 0.36 -0.79 2.19 -2.30 -0.50 0.00 0.00 175.29 174.25 1w4m n PRO 72 N 4.91 2.05 -3.53 1.67 -0.02 -1.26 -2.47 135.00 136.35 1w4m n PRO 72 Ca -0.06 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.63 1w4m n PRO 72 Cb 0.44 -3.18 -0.10 0.00 -0.02 0.00 0.00 33.50 30.65 1w4m n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w4m s ALA 73 N 7.74 3.57 0.00 3.55 0.00 0.04 -4.67 121.76 131.99 1w4m s ALA 73 Ca 1.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1w4m s ALA 73 Cb -0.37 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1w4m s ALA 73 CO 0.37 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1w4m n GLY 74 N 4.57 2.28 0.13 0.00 0.00 -1.26 -2.06 105.19 108.84 1w4m n GLY 74 Ca -0.12 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.56 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 0.62 0.93 1.61 3.32 -1.96 -3.04 116.42 117.90 1w4m h ASP 75 Ca 0.00 -0.68 -0.05 0.00 0.02 0.00 0.00 57.03 56.32 1w4m h ASP 75 Cb 0.00 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.36 1w4m h ASP 75 CO 0.00 1.54 -0.45 -0.03 -1.72 0.00 0.00 179.24 178.58 1w4m h MET 76 N 0.11 -1.20 0.00 3.56 4.05 -1.95 -0.76 114.93 118.73 1w4m h MET 76 Ca -0.20 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1w4m h MET 76 Cb 2.07 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 33.14 1w4m h MET 76 CO 0.23 -0.80 0.00 0.77 0.23 0.00 0.00 176.91 177.34 1w4m h SER 77 N -1.27 0.00 0.78 1.39 0.02 -1.84 -1.25 113.55 111.38 1w4m h SER 77 Ca -0.13 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.58 1w4m h SER 77 Cb 0.96 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 1w4m h SER 77 CO 0.21 0.00 -1.29 0.50 -1.14 0.00 0.00 176.83 175.11 1w4m h LYS 78 N 0.00 0.01 0.00 3.45 3.64 -1.31 -3.31 116.57 119.05 1w4m h LYS 78 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1w4m h LYS 78 Cb 0.13 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1w4m h LYS 78 CO 0.00 0.82 -0.77 0.66 -2.27 0.00 0.00 179.45 177.89 1w4m h SER 79 N 0.00 0.00 -0.65 4.20 4.64 -0.06 -3.26 113.55 118.43 1w4m h SER 79 Ca -0.12 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1w4m h SER 79 Cb 1.87 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.93 1w4m h SER 79 CO 0.11 0.04 0.29 0.00 -0.87 0.00 0.00 176.83 176.41 1w4m h ALA 80 N 1.96 0.84 -0.01 5.18 0.00 -1.38 -2.09 119.26 123.75 1w4m h ALA 80 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1w4m h ALA 80 Cb 1.04 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1w4m h ALA 80 CO 0.00 0.42 -0.07 1.33 0.00 0.00 0.00 179.25 180.93 1w4m n VAL 81 N -4.46 0.00 0.00 0.00 0.24 -1.25 -2.96 118.33 109.89 1w4m n VAL 81 Ca 0.05 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1w4m n VAL 81 Cb 0.14 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1w4m n VAL 81 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1w4m n ASP 82 N -0.20 0.00 0.00 -1.34 2.03 -0.80 -4.60 116.55 111.64 1w4m n ASP 82 Ca 0.17 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1w4m n ASP 82 Cb 0.33 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1w4m n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1w4m n GLY 83 N 1.97 1.37 3.56 0.27 0.00 -1.14 -4.66 105.19 106.56 1w4m n GLY 83 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.23 -0.04 2.61 2.01 -1.26 -4.79 115.64 118.39 1w4m s THR 84 Ca 0.00 -1.90 0.00 0.00 0.31 0.00 0.00 61.69 60.11 1w4m s THR 84 Cb 0.00 -5.14 0.06 0.00 0.01 0.00 0.00 72.50 67.43 1w4m s THR 84 CO 0.00 -1.96 1.09 0.00 -0.69 0.00 0.00 174.62 173.06 1w4m n ALA 85 N 8.07 2.80 -0.19 7.40 0.00 -1.16 -4.22 120.51 133.21 1w4m n ALA 85 Ca 0.46 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 1w4m n ALA 85 Cb 0.46 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 0.10 0.80 -3.40 0.00 4.57 -1.87 -3.38 114.58 111.40 1w4m h GLU 86 Ca 0.06 -0.15 -0.60 0.00 -1.18 0.00 0.00 59.36 57.49 1w4m h GLU 86 Cb 1.17 -0.13 -0.40 0.00 -0.16 0.00 0.00 28.75 29.24 1w4m h GLU 86 CO 0.10 0.71 -0.75 0.54 -1.18 0.00 0.00 179.01 178.43 1w4m s ASN 87 N -6.03 3.92 0.02 1.04 2.20 -1.26 -5.02 114.94 109.81 1w4m s ASN 87 Ca -0.13 -2.06 -0.29 0.00 -0.94 0.00 0.00 52.86 49.44 1w4m s ASN 87 Cb 0.12 -0.97 -0.16 0.00 -2.00 0.00 0.00 41.25 38.23 1w4m s ASN 87 CO 0.78 -0.35 1.20 1.55 -2.94 0.00 0.00 177.10 177.34 1w4m h PRO 88 N 7.51 -0.98 -6.56 3.55 0.13 -1.88 -3.43 132.00 130.33 1w4m h PRO 88 Ca -0.08 0.07 -0.53 0.00 -0.87 0.00 0.00 66.00 64.59 1w4m h PRO 88 Cb 0.98 0.22 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1w4m h PRO 88 CO 0.47 -0.65 0.58 0.12 -0.23 0.00 0.00 178.00 178.29 1w4m s PHE 89 N -4.93 3.41 -0.06 1.56 2.19 -1.26 -4.85 117.98 114.03 1w4m s PHE 89 Ca -0.15 1.30 0.06 0.00 0.33 0.00 0.00 56.93 58.47 1w4m s PHE 89 Cb 0.02 -3.46 -0.01 0.00 -1.31 0.00 0.00 43.02 38.25 1w4m s PHE 89 CO 0.46 -1.40 -0.23 -0.51 1.83 0.00 0.00 175.22 175.37 1w4m s LEU 90 N 0.55 2.18 -0.15 6.12 1.43 -1.26 -4.86 118.68 122.70 1w4m s LEU 90 Ca 0.57 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1w4m s LEU 90 Cb -0.32 -1.40 0.21 0.00 0.03 0.00 0.00 46.19 44.71 1w4m s LEU 90 CO 0.32 0.26 1.34 -0.90 0.23 0.00 0.00 176.35 177.60 1w4m n ASP 91 N 2.83 3.44 -4.79 2.29 5.75 -1.26 -4.08 116.55 120.74 1w4m n ASP 91 Ca -0.17 -2.53 -0.31 0.00 -0.01 0.00 0.00 54.79 51.77 1w4m n ASP 91 Cb 0.52 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 1w4m n ASP 91 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1w4m s ASN 92 N 0.31 5.62 0.24 -1.12 2.47 -1.26 -3.65 114.94 117.56 1w4m s ASN 92 Ca 0.18 0.04 0.10 0.00 0.42 0.00 0.00 52.86 53.61 1w4m s ASN 92 Cb 0.15 -1.55 0.23 0.00 -1.45 0.00 0.00 41.25 38.63 1w4m s ASN 92 CO 0.03 0.19 1.53 -0.65 -3.72 0.00 0.00 177.10 174.49 1w4m h PRO 93 N 3.44 0.00 -0.09 0.43 0.11 -1.96 -2.64 132.00 131.29 1w4m h PRO 93 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1w4m h PRO 93 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1w4m h PRO 93 CO 0.66 0.69 0.03 0.22 -0.21 0.00 0.00 178.00 179.39 1w4m h ASP 94 N 0.00 0.04 -2.90 -2.05 1.82 -1.97 -3.41 116.42 107.94 1w4m h ASP 94 Ca -0.01 0.01 -0.56 0.00 -0.39 0.00 0.00 57.03 56.09 1w4m h ASP 94 Cb 1.26 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.25 1w4m h ASP 94 CO 0.09 0.04 0.88 0.00 -1.61 0.00 0.00 179.24 178.63 1w4m s ALA 95 N -6.19 3.60 0.34 -0.78 0.00 -1.24 -4.97 121.76 112.54 1w4m s ALA 95 Ca -0.13 0.65 -0.06 0.00 0.00 0.00 0.00 51.96 52.42 1w4m s ALA 95 Cb 0.07 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1w4m s ALA 95 CO 0.67 -1.07 0.64 -0.06 0.00 0.00 0.00 175.76 175.94 1w4m s PHE 96 N 3.09 3.48 -0.22 0.00 0.08 -0.88 -3.56 117.98 119.97 1w4m s PHE 96 Ca 0.60 0.76 -0.04 0.00 0.12 0.00 0.00 56.93 58.37 1w4m s PHE 96 Cb -0.26 -2.21 0.12 0.00 -0.57 0.00 0.00 43.02 40.09 1w4m s PHE 96 CO 0.21 0.05 0.36 0.71 -0.10 0.00 0.00 175.22 176.45 1w4m s TYR 97 N -2.24 -0.74 0.42 0.36 2.02 0.05 -0.78 117.35 116.45 1w4m s TYR 97 Ca 0.46 0.90 0.07 0.00 -0.37 0.00 0.00 57.07 58.13 1w4m s TYR 97 Cb -0.10 0.03 -0.06 0.00 -0.40 0.00 0.00 41.96 41.43 1w4m s TYR 97 CO 0.32 -0.64 0.13 1.52 -1.57 0.00 0.00 175.55 175.31 1w4m s TYR 98 N 2.53 2.50 -2.61 2.71 1.13 -1.03 -1.64 117.35 120.95 1w4m s TYR 98 Ca 0.09 -0.64 0.27 0.00 -1.41 0.00 0.00 57.07 55.38 1w4m s TYR 98 Cb -0.15 -1.89 0.86 0.00 -1.10 0.00 0.00 41.96 39.69 1w4m s TYR 98 CO -0.14 0.24 1.64 1.19 -2.51 0.00 0.00 175.55 175.97