#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 0.59 0.12 -2.67 3.38 -2.01 -2.88 115.31 111.84 1w4m h LEU 6 Ca 0.00 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1w4m h LEU 6 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1w4m h LEU 6 CO 0.00 1.35 -0.06 1.23 0.09 0.00 0.00 178.44 181.05 1w4m h GLY 7 N 1.10 -0.17 0.75 0.83 0.00 -2.02 -2.03 103.07 101.52 1w4m h GLY 7 Ca -0.12 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.32 1w4m h GLY 7 CO 0.19 -0.06 0.41 0.00 0.00 0.00 0.00 176.54 177.08 1w4m h ALA 8 N 0.17 0.94 -0.86 3.60 0.00 -2.00 -0.51 119.26 120.59 1w4m h ALA 8 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1w4m h ALA 8 Cb 0.48 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1w4m h ALA 8 CO 0.03 0.13 0.56 1.25 0.00 0.00 0.00 179.25 181.22 1w4m h LEU 9 N 0.78 1.00 -0.38 0.00 5.85 -1.53 -0.23 115.31 120.79 1w4m h LEU 9 Ca 0.30 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1w4m h LEU 9 Cb 0.13 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1w4m h LEU 9 CO -0.16 0.73 0.14 0.22 -0.34 0.00 0.00 178.44 179.04 1w4m h TYR 10 N 1.17 0.58 0.00 1.25 3.20 -0.44 -1.82 116.97 120.91 1w4m h TYR 10 Ca 0.31 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1w4m h TYR 10 Cb -0.12 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 37.98 1w4m h TYR 10 CO 0.00 0.53 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.87 1w4m h LEU 11 N 0.46 0.00 -0.43 2.82 3.38 -0.39 -1.86 115.31 119.29 1w4m h LEU 11 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1w4m h LEU 11 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1w4m h LEU 11 CO -0.01 0.11 -0.45 0.28 0.09 0.00 0.00 178.44 178.46 1w4m h SER 12 N 0.00 0.88 0.36 -0.43 0.02 -0.24 -2.86 113.55 111.29 1w4m h SER 12 Ca -0.00 -0.43 -0.09 0.00 -0.84 0.00 0.00 61.79 60.43 1w4m h SER 12 Cb 0.28 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1w4m h SER 12 CO 0.01 1.20 -0.41 0.24 -1.14 0.00 0.00 176.83 176.73 1w4m h MET 13 N 0.65 0.07 0.00 3.45 2.86 -0.83 -2.15 114.93 118.98 1w4m h MET 13 Ca 0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1w4m h MET 13 Cb 1.03 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1w4m h MET 13 CO 0.10 0.47 0.00 1.63 1.06 0.00 0.00 176.91 180.18 1w4m n LYS 14 N -4.04 0.09 -0.42 1.72 5.02 -0.94 -2.40 118.16 117.20 1w4m n LYS 14 Ca -0.02 0.39 -0.26 0.00 -2.02 0.00 0.00 58.31 56.40 1w4m n LYS 14 Cb 0.45 -1.69 0.24 0.00 -0.02 0.00 0.00 35.03 34.02 1w4m n LYS 14 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1w4m n ASP 15 N -1.85 -3.23 0.00 4.39 2.03 -0.82 -4.98 116.55 112.09 1w4m n ASP 15 Ca 0.02 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1w4m n ASP 15 Cb 0.16 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 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 -5.12 0.00 -0.01 5.18 -2.24 -1.26 -4.33 114.28 106.50 1w4m n THR 16 Ca 0.12 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1w4m n THR 16 Cb 0.51 -0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.07 -0.31 -0.78 4.81 -1.96 -3.36 114.58 113.05 1w4m h GLU 17 Ca 0.00 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1w4m h GLU 17 Cb 0.00 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1w4m h GLU 17 CO 0.00 0.71 -0.15 0.87 -0.73 0.00 0.00 179.01 179.71 1w4m h LYS 18 N 0.02 0.53 0.00 1.92 1.79 -1.88 -3.45 116.57 115.50 1w4m h LYS 18 Ca -0.31 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1w4m h LYS 18 Cb 2.01 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.61 1w4m h LYS 18 CO 0.09 0.67 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 1w4m n GLY 19 N -0.56 0.62 2.54 3.86 0.00 -1.18 -4.89 105.19 105.59 1w4m n GLY 19 Ca 0.01 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.02 0.00 -2.30 -0.61 -5.35 -1.01 -4.90 119.36 105.17 1w4m n ILE 20 Ca 0.00 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.84 1w4m n ILE 20 Cb 0.00 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 36.90 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 -4.36 4.13 -1.54 6.28 4.76 -1.26 -4.79 118.16 121.38 1w4m n LYS 21 Ca 0.11 -3.66 -0.42 0.00 -2.87 0.00 0.00 58.31 51.47 1w4m n LYS 21 Cb 0.45 -2.76 -0.05 0.00 -1.84 0.00 0.00 35.03 30.83 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 2.69 1.22 -4.56 1.97 0.28 -1.26 -4.89 120.64 116.09 1w4m n GLU 22 Ca 0.46 0.22 -0.24 0.00 -0.16 0.00 0.00 57.16 57.44 1w4m n GLU 22 Cb 0.32 -2.99 -0.16 0.00 1.43 0.00 0.00 31.44 30.03 1w4m n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1w4m s LEU 23 N 9.75 1.67 -0.22 -1.84 1.02 -1.26 -4.88 118.68 122.91 1w4m s LEU 23 Ca 1.05 -0.28 -0.29 0.00 0.02 0.00 0.00 54.13 54.63 1w4m s LEU 23 Cb -0.47 -0.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.94 1w4m s LEU 23 CO 0.36 0.04 1.60 0.20 0.02 0.00 0.00 176.35 178.58 1w4m s ASN 24 N 0.55 6.39 -0.24 2.29 0.01 -1.26 -0.32 114.94 122.36 1w4m s ASN 24 Ca -0.12 1.61 -0.12 0.00 -0.71 0.00 0.00 52.86 53.52 1w4m s ASN 24 Cb -0.14 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.94 1w4m s ASN 24 CO 0.03 -1.25 0.24 -0.22 -1.51 0.00 0.00 177.10 174.39 1w4m s LEU 25 N 5.16 4.11 -0.23 0.60 2.96 -0.43 -4.90 118.68 125.95 1w4m s LEU 25 Ca 0.71 0.21 -0.07 0.00 -0.22 0.00 0.00 54.13 54.76 1w4m s LEU 25 Cb -0.25 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1w4m s LEU 25 CO 0.29 -0.00 0.07 -0.70 -1.32 0.00 0.00 176.35 174.69 1w4m s GLU 26 N 1.27 3.75 0.00 1.98 -6.30 -1.26 -0.98 118.70 117.16 1w4m s GLU 26 Ca 0.11 -0.44 0.00 0.00 -2.50 0.00 0.00 54.97 52.14 1w4m s GLU 26 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 34.13 30.70 1w4m s GLU 26 CO 0.06 -0.05 0.00 1.17 0.02 0.00 0.00 175.26 176.46 1w4m n LYS 27 N 4.51 0.00 0.00 4.30 3.00 -0.88 -5.03 118.16 124.07 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 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 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 0.00 -0.00 3.14 9.92 -1.26 -4.73 116.55 123.62 1w4m n ASP 28 Ca 0.00 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1w4m n ASP 28 Cb 0.00 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 1w4m n ASP 28 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1w4m n LYS 29 N -1.83 2.79 -5.04 -1.24 0.00 -1.26 -5.02 118.16 106.56 1w4m n LYS 29 Ca 0.00 -1.44 -0.31 0.00 0.00 0.00 0.00 58.31 56.56 1w4m n LYS 29 Cb 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 35.03 33.92 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 -0.94 2.19 -0.67 1.64 1.02 -1.26 -5.09 119.74 116.63 1w4m s LYS 30 Ca 0.00 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.11 1w4m s LYS 30 Cb 0.00 -2.16 0.17 0.00 -0.52 0.00 0.00 37.83 35.32 1w4m s LYS 30 CO 0.00 0.57 0.48 0.42 -0.92 0.00 0.00 175.35 175.90 1w4m s ILE 31 N -0.72 3.43 0.06 2.17 -1.09 -1.26 -2.06 121.20 121.74 1w4m s ILE 31 Ca 0.11 -3.50 -0.30 0.00 -2.23 0.00 0.00 60.65 54.73 1w4m s ILE 31 Cb -0.10 -3.24 -0.09 0.00 -1.58 0.00 0.00 42.46 37.45 1w4m s ILE 31 CO 0.01 -0.93 1.82 -0.36 -1.23 0.00 0.00 174.94 174.25 1w4m s PHE 32 N -0.66 1.89 -0.41 3.97 0.08 -0.15 -4.92 117.98 117.78 1w4m s PHE 32 Ca 0.21 -0.08 -0.25 0.00 0.12 0.00 0.00 56.93 56.93 1w4m s PHE 32 Cb -0.16 -4.13 0.02 0.00 -0.57 0.00 0.00 43.02 38.18 1w4m s PHE 32 CO -0.07 -4.79 0.90 -0.80 -0.10 0.00 0.00 175.22 170.36 1w4m s ASN 33 N 3.29 6.58 -1.05 1.36 -0.87 -1.26 -1.32 114.94 121.67 1w4m s ASN 33 Ca 0.81 0.34 -0.11 0.00 -1.57 0.00 0.00 52.86 52.33 1w4m s ASN 33 Cb -0.42 -2.45 -0.04 0.00 -0.02 0.00 0.00 41.25 38.32 1w4m s ASN 33 CO 0.36 -0.92 0.85 1.41 -2.57 0.00 0.00 177.10 176.23 1w4m n HIS 34 N 6.88 -2.28 -3.28 2.20 8.25 -1.18 -2.26 115.22 123.54 1w4m n HIS 34 Ca 0.06 0.72 -0.38 0.00 -0.26 0.00 0.00 57.72 57.86 1w4m n HIS 34 Cb 0.48 -3.83 -0.06 0.00 1.12 0.00 0.00 29.99 27.70 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 2.94 -0.33 -2.78 0.00 -1.74 -1.00 -4.41 117.46 110.14 1w4m n PHE 36 Ca -0.08 -1.14 -0.21 0.00 -0.56 0.00 0.00 57.45 55.46 1w4m n PHE 36 Cb 0.51 0.12 0.06 0.00 1.52 0.00 0.00 39.48 41.70 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 -2.55 2.44 -0.02 1.97 -4.23 -1.26 -1.07 115.64 110.91 1w4m s THR 37 Ca 0.16 -0.78 -0.19 0.00 -1.18 0.00 0.00 61.69 59.71 1w4m s THR 37 Cb 0.01 -2.66 -0.33 0.00 1.34 0.00 0.00 72.50 70.86 1w4m s THR 37 CO 0.11 0.00 0.91 1.23 -0.54 0.00 0.00 174.62 176.33 1w4m h GLY 38 N 0.01 0.46 2.00 3.99 0.00 -1.62 -3.27 103.07 104.64 1w4m h GLY 38 Ca -0.37 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 45.78 1w4m h GLY 38 CO 0.45 1.03 0.00 3.45 0.00 0.00 0.00 176.54 181.47 1w4m h ASN 39 N -0.14 0.00 -0.06 0.19 7.08 -1.74 -2.85 115.58 118.06 1w4m h ASN 39 Ca -0.21 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.00 1w4m h ASN 39 Cb 1.89 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 38.13 1w4m h ASN 39 CO 0.20 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.55 1w4m h VAL 41 N -0.19 1.18 -0.35 0.00 2.07 -1.65 -0.83 116.25 116.47 1w4m h VAL 41 Ca 0.02 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1w4m h VAL 41 Cb 0.33 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1w4m h VAL 41 CO 0.00 0.24 -0.03 0.40 0.02 0.00 0.00 177.57 178.20 1w4m h ILE 42 N 0.48 1.27 -0.20 4.57 1.08 -1.55 -0.53 117.51 122.63 1w4m h ILE 42 Ca 0.11 -1.04 -0.13 0.00 -0.39 0.00 0.00 64.86 63.40 1w4m h ILE 42 Cb 0.28 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 1w4m h ILE 42 CO 0.01 0.34 -0.44 -0.78 -0.69 0.00 0.00 178.15 176.59 1w4m h ASP 43 N 0.45 0.53 -0.19 1.72 3.58 -1.10 -0.69 116.42 120.72 1w4m h ASP 43 Ca 0.10 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 1w4m h ASP 43 Cb 0.51 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1w4m h ASP 43 CO 0.02 0.90 -0.06 -0.25 -2.88 0.00 0.00 179.24 176.98 1w4m h TRP 44 N 0.40 0.43 -0.41 0.28 7.01 -1.04 -0.05 115.95 122.58 1w4m h TRP 44 Ca 0.03 -0.10 -0.06 0.00 2.11 0.00 0.00 58.89 60.87 1w4m h TRP 44 Cb 0.93 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 1w4m h TRP 44 CO 0.03 0.65 0.02 -0.07 -2.79 0.00 0.00 178.44 176.28 1w4m h LEU 45 N 0.08 0.68 -1.55 0.65 4.07 -1.06 -2.68 115.31 115.51 1w4m h LEU 45 Ca 0.05 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 57.66 1w4m h LEU 45 Cb 0.52 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1w4m h LEU 45 CO 0.02 0.81 -0.24 0.58 -1.08 0.00 0.00 178.44 178.53 1w4m h VAL 46 N 0.54 0.96 0.00 1.22 2.07 -1.10 -1.47 116.25 118.47 1w4m h VAL 46 Ca 0.12 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1w4m h VAL 46 Cb 0.45 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1w4m h VAL 46 CO 0.02 0.23 0.00 -1.54 0.02 0.00 0.00 177.57 176.30 1w4m n SER 47 N -3.95 0.00 -0.50 0.57 3.41 -0.04 -4.60 113.62 108.52 1w4m n SER 47 Ca -0.02 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1w4m n SER 47 Cb 0.32 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1w4m n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1w4m n ASN 48 N -1.29 1.34 -0.04 4.04 2.85 -0.55 -5.04 115.26 116.57 1w4m n ASN 48 Ca 0.09 -0.25 0.12 0.00 -0.11 0.00 0.00 54.58 54.43 1w4m n ASN 48 Cb 0.16 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.33 1w4m n ASN 48 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1w4m n GLN 49 N -0.08 0.13 0.00 1.20 3.00 -1.26 -4.27 117.38 116.10 1w4m n GLN 49 Ca 0.00 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.80 1w4m n GLN 49 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.70 1w4m n GLN 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1w4m h SER 50 N 0.21 -0.18 -4.89 1.08 4.64 -1.93 -3.45 113.55 109.02 1w4m h SER 50 Ca 0.00 0.04 -0.45 0.00 -0.47 0.00 0.00 61.79 60.91 1w4m h SER 50 Cb 0.51 0.10 -0.14 0.00 -0.31 0.00 0.00 62.40 62.56 1w4m h SER 50 CO 0.00 -0.08 -0.53 0.68 -0.87 0.00 0.00 176.83 176.03 1w4m s VAL 51 N -6.19 0.24 0.10 0.95 -7.23 -1.23 -5.01 120.40 102.03 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 0.09 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1w4m s VAL 51 CO 0.67 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 174.32 1w4m n ARG 52 N -0.64 0.00 -2.09 4.82 0.00 -1.26 -4.50 116.66 112.99 1w4m n ARG 52 Ca 0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.57 1w4m n ARG 52 Cb 0.64 -0.26 0.01 0.00 0.00 0.00 0.00 32.46 32.85 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 -5.26 6.23 0.20 6.15 0.01 -1.26 -4.87 114.94 116.14 1w4m s ASN 53 Ca 0.00 1.28 -0.08 0.00 -0.71 0.00 0.00 52.86 53.35 1w4m s ASN 53 Cb 0.00 -2.40 0.11 0.00 0.41 0.00 0.00 41.25 39.37 1w4m s ASN 53 CO 0.00 -0.79 1.69 -0.09 -1.51 0.00 0.00 177.10 176.39 1w4m h ARG 54 N -0.17 1.10 -0.05 -0.60 2.43 -1.99 -2.44 114.38 112.65 1w4m h ARG 54 Ca -0.45 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.36 1w4m h ARG 54 Cb 1.19 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1w4m h ARG 54 CO 0.62 1.01 -0.25 1.96 -1.51 0.00 0.00 179.97 181.80 1w4m h GLN 55 N 1.02 0.09 0.51 0.20 7.50 -1.98 -2.22 115.11 120.23 1w4m h GLN 55 Ca 0.20 -0.03 -0.03 0.00 0.50 0.00 0.00 58.65 59.30 1w4m h GLN 55 Cb 0.47 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 27.99 1w4m h GLN 55 CO 0.02 0.34 -0.25 0.93 -1.50 0.00 0.00 178.83 178.37 1w4m h GLU 56 N 0.08 -0.66 0.00 1.46 5.08 -1.83 -2.68 114.58 116.03 1w4m h GLU 56 Ca 0.01 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1w4m h GLU 56 Cb 0.49 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1w4m h GLU 56 CO 0.03 -0.36 -0.01 0.78 -1.00 0.00 0.00 179.01 178.46 1w4m h GLY 57 N -0.94 0.00 0.94 -3.84 0.00 -1.43 -2.19 103.07 95.60 1w4m h GLY 57 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1w4m h GLY 57 CO 0.12 0.00 -0.26 -2.00 0.00 0.00 0.00 176.54 174.40 1w4m h LEU 58 N 0.00 -0.61 -0.07 3.11 6.46 -1.16 -0.37 115.31 122.67 1w4m h LEU 58 Ca -0.00 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1w4m h LEU 58 Cb 0.02 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.05 1w4m h LEU 58 CO 0.00 -0.38 -0.51 0.24 -0.62 0.00 0.00 178.44 177.17 1w4m h MET 59 N -0.80 -0.59 -0.34 1.25 2.86 -1.08 0.19 114.93 116.43 1w4m h MET 59 Ca -0.07 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1w4m h MET 59 Cb 0.58 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.30 1w4m h MET 59 CO 0.12 -0.39 -0.16 0.82 1.06 0.00 0.00 176.91 178.36 1w4m h ILE 60 N -0.61 0.50 -0.05 -1.22 1.08 -1.47 0.89 117.51 116.64 1w4m h ILE 60 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1w4m h ILE 60 Cb 0.69 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1w4m h ILE 60 CO -0.39 0.00 0.03 0.00 -0.69 0.00 0.00 178.15 177.10 1w4m h ALA 61 N 1.16 1.98 -0.60 1.87 0.00 -0.55 -1.04 119.26 122.07 1w4m h ALA 61 Ca 0.17 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1w4m h ALA 61 Cb 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1w4m h ALA 61 CO -0.41 0.02 0.14 1.03 0.00 0.00 0.00 179.25 180.03 1w4m h SER 62 N 0.05 0.88 0.11 0.00 0.87 0.19 -2.08 113.55 113.57 1w4m h SER 62 Ca 0.02 -0.17 -0.10 0.00 -1.23 0.00 0.00 61.79 60.31 1w4m h SER 62 Cb 0.01 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1w4m h SER 62 CO -0.00 0.86 -0.33 -1.28 -0.53 0.00 0.00 176.83 175.55 1w4m h SER 63 N 0.90 0.34 0.76 6.23 0.87 -0.54 -0.78 113.55 121.33 1w4m h SER 63 Ca 0.19 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1w4m h SER 63 Cb 0.33 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1w4m h SER 63 CO 0.00 0.66 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.46 1w4m h LEU 64 N 0.29 -1.04 -1.13 2.23 3.38 -0.99 -1.60 115.31 116.44 1w4m h LEU 64 Ca 0.04 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1w4m h LEU 64 Cb 0.73 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1w4m h LEU 64 CO 0.06 -0.68 -0.22 0.25 0.09 0.00 0.00 178.44 177.94 1w4m h LEU 65 N -1.09 0.34 -0.57 1.67 5.85 -1.47 -1.16 115.31 118.87 1w4m h LEU 65 Ca -0.10 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1w4m h LEU 65 Cb 0.87 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1w4m h LEU 65 CO 0.13 0.57 0.34 -1.13 -0.34 0.00 0.00 178.44 178.01 1w4m h ASN 66 N 0.31 0.56 1.04 1.25 -1.24 -0.94 -1.10 115.58 115.46 1w4m h ASN 66 Ca 0.05 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 1w4m h ASN 66 Cb 0.57 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 1w4m h ASN 66 CO 0.04 0.39 -0.08 -0.33 -1.29 0.00 0.00 177.43 176.16 1w4m h GLU 67 N 0.68 0.00 0.00 6.67 5.08 -1.12 -3.46 114.58 122.43 1w4m h GLU 67 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1w4m h GLU 67 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1w4m h GLU 67 CO -0.10 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 1w4m n GLY 68 N 0.13 1.16 0.21 -3.84 0.00 -0.42 -5.00 105.19 97.43 1w4m n GLY 68 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.66 -5.40 1.61 0.05 -1.40 -3.44 116.97 109.05 1w4m h TYR 69 Ca 0.00 -0.01 -0.46 0.00 0.05 0.00 0.00 58.73 58.31 1w4m h TYR 69 Cb 0.00 -0.21 0.09 0.00 1.01 0.00 0.00 36.73 37.62 1w4m h TYR 69 CO 0.00 0.47 0.15 1.28 -1.05 0.00 0.00 178.16 179.01 1w4m n LEU 70 N -4.68 0.00 -3.46 3.88 7.99 -1.25 -4.89 117.00 114.58 1w4m n LEU 70 Ca 0.02 -2.07 -0.20 0.00 -0.01 0.00 0.00 56.01 53.76 1w4m n LEU 70 Cb 0.07 -0.69 -0.12 0.00 -0.11 0.00 0.00 43.42 42.57 1w4m n LEU 70 CO 0.36 -1.04 -0.22 -1.58 -1.51 0.00 0.00 177.39 173.40 1w4m s GLN 71 N -5.22 0.26 0.65 3.23 2.00 -0.38 -4.93 119.66 115.27 1w4m s GLN 71 Ca 0.68 -0.12 -0.17 0.00 -2.00 0.00 0.00 55.36 53.75 1w4m s GLN 71 Cb -0.04 -0.93 -0.05 0.00 0.80 0.00 0.00 33.01 32.80 1w4m s GLN 71 CO 0.45 -0.91 0.72 -0.35 -0.50 0.00 0.00 175.29 174.70 1w4m n PRO 72 N 5.30 0.54 -3.78 1.67 -0.04 -1.26 -1.67 135.00 135.76 1w4m n PRO 72 Ca -0.04 0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1w4m n PRO 72 Cb 0.46 -1.95 -0.10 0.00 -0.04 0.00 0.00 33.50 31.87 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 -1.74 -0.71 0.00 0.55 0.00 0.11 -4.82 121.76 115.15 1w4m s ALA 73 Ca 0.71 0.52 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1w4m s ALA 73 Cb -0.39 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1w4m s ALA 73 CO 0.53 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.50 1w4m n GLY 74 N 2.07 -3.66 0.08 0.00 0.00 -1.26 -2.16 105.19 100.26 1w4m n GLY 74 Ca -0.18 -2.07 -0.05 0.00 0.00 0.00 0.00 46.02 43.72 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 0.00 0.60 1.61 5.19 -1.98 -3.08 116.42 118.76 1w4m h ASP 75 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1w4m h ASP 75 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1w4m h ASP 75 CO 0.00 0.90 -0.29 -0.03 -3.12 0.00 0.00 179.24 176.70 1w4m h MET 76 N 0.00 -0.77 0.00 3.56 4.05 -1.89 -1.91 114.93 117.97 1w4m h MET 76 Ca -0.07 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1w4m h MET 76 Cb 1.75 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.72 1w4m h MET 76 CO 0.11 -0.49 0.00 0.43 0.23 0.00 0.00 176.91 177.19 1w4m n SER 77 N -5.32 0.28 0.04 1.39 7.64 -1.26 -2.10 113.62 114.29 1w4m n SER 77 Ca -0.11 0.59 -0.16 0.00 1.01 0.00 0.00 58.87 60.20 1w4m n SER 77 Cb 0.33 -0.64 -0.14 0.00 -1.01 0.00 0.00 64.21 62.75 1w4m n SER 77 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1w4m h LYS 78 N 0.00 0.20 0.00 1.43 3.64 -1.43 -3.31 116.57 117.10 1w4m h LYS 78 Ca 0.00 -0.35 -0.16 0.00 -1.27 0.00 0.00 60.65 58.87 1w4m h LYS 78 Cb 0.18 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1w4m h LYS 78 CO 0.00 1.02 -0.77 1.03 -2.27 0.00 0.00 179.45 178.46 1w4m h SER 79 N 0.06 0.00 -0.51 4.20 0.87 -0.78 -3.21 113.55 114.17 1w4m h SER 79 Ca -0.28 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 1w4m h SER 79 Cb 2.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.95 1w4m h SER 79 CO 0.13 0.77 0.06 0.00 -0.53 0.00 0.00 176.83 177.27 1w4m h ALA 80 N 1.23 1.06 -0.19 6.23 0.00 -1.58 -2.27 119.26 123.72 1w4m h ALA 80 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1w4m h ALA 80 Cb 1.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1w4m h ALA 80 CO 0.10 0.60 0.00 1.33 0.00 0.00 0.00 179.25 181.28 1w4m n VAL 81 N -4.22 0.26 0.00 0.00 0.24 -1.22 -4.01 118.33 109.36 1w4m n VAL 81 Ca 0.03 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1w4m n VAL 81 Cb 0.28 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.16 0.00 0.00 -1.34 2.03 -0.85 -4.92 116.55 111.62 1w4m n ASP 82 Ca 0.12 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1w4m n ASP 82 Cb 0.24 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 2.11 0.35 3.62 0.27 0.00 -1.24 -4.88 105.19 105.43 1w4m n GLY 83 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 4.77 -0.43 2.61 2.01 -1.26 -4.93 115.64 118.40 1w4m s THR 84 Ca 0.00 1.35 -0.01 0.00 0.31 0.00 0.00 61.69 63.34 1w4m s THR 84 Cb 0.00 -4.17 0.29 0.00 0.01 0.00 0.00 72.50 68.62 1w4m s THR 84 CO 0.00 -0.23 2.03 0.00 -0.69 0.00 0.00 174.62 175.72 1w4m n ALA 85 N 6.24 5.50 0.26 7.40 0.00 -1.26 -4.52 120.51 134.12 1w4m n ALA 85 Ca 0.05 -2.22 0.08 0.00 0.00 0.00 0.00 53.44 51.36 1w4m n ALA 85 Cb 0.48 -1.50 0.65 0.00 0.00 0.00 0.00 19.45 19.08 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 1.64 0.00 -2.94 0.00 4.81 -1.92 -3.31 114.58 112.86 1w4m h GLU 86 Ca 0.39 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 59.01 1w4m h GLU 86 Cb 0.88 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.86 1w4m h GLU 86 CO 1.02 0.00 -0.75 -0.80 -0.73 0.00 0.00 179.01 177.75 1w4m s ASN 87 N -7.02 3.56 0.00 1.04 0.02 -1.26 -5.04 114.94 106.24 1w4m s ASN 87 Ca -0.05 -2.66 0.00 0.00 -1.02 0.00 0.00 52.86 49.13 1w4m s ASN 87 Cb 0.17 -0.99 0.00 0.00 0.02 0.00 0.00 41.25 40.45 1w4m s ASN 87 CO 0.67 -0.26 0.38 -0.81 0.02 0.00 0.00 177.10 177.10 1w4m n PRO 88 N 3.49 0.00 -1.93 -0.60 -0.04 -1.25 -4.69 135.00 129.97 1w4m n PRO 88 Ca 0.10 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.24 1w4m n PRO 88 Cb 0.35 -0.92 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 1w4m n PRO 88 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1w4m s PHE 89 N -0.97 1.82 -0.11 0.54 5.36 -1.26 -4.99 117.98 118.37 1w4m s PHE 89 Ca 0.00 0.06 -0.05 0.00 -0.96 0.00 0.00 56.93 55.98 1w4m s PHE 89 Cb 0.00 -3.99 -0.04 0.00 -0.34 0.00 0.00 43.02 38.65 1w4m s PHE 89 CO 0.00 -4.21 0.08 -0.51 -1.46 0.00 0.00 175.22 169.12 1w4m s LEU 90 N 4.18 4.02 -0.31 6.12 1.43 -1.26 -4.84 118.68 128.03 1w4m s LEU 90 Ca 0.77 0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.19 1w4m s LEU 90 Cb -0.35 -1.96 0.26 0.00 0.03 0.00 0.00 46.19 44.17 1w4m s LEU 90 CO 0.32 0.39 1.85 -0.90 0.23 0.00 0.00 176.35 178.24 1w4m n ASP 91 N 2.07 5.58 -4.38 2.29 5.75 -1.26 -4.18 116.55 122.41 1w4m n ASP 91 Ca -0.19 -3.02 -0.32 0.00 -0.01 0.00 0.00 54.79 51.25 1w4m n ASP 91 Cb 0.54 -0.94 -0.15 0.00 -1.03 0.00 0.00 41.12 39.55 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 -0.01 3.61 0.07 -1.12 3.84 -1.26 -4.27 114.94 115.79 1w4m s ASN 92 Ca 0.32 -0.34 0.14 0.00 0.21 0.00 0.00 52.86 53.19 1w4m s ASN 92 Cb 0.25 -0.84 0.63 0.00 -0.55 0.00 0.00 41.25 40.74 1w4m s ASN 92 CO 0.01 0.29 1.45 -0.81 -2.79 0.00 0.00 177.10 175.26 1w4m n PRO 93 N 2.64 0.05 -0.06 0.43 -0.04 -1.26 -2.73 135.00 134.03 1w4m n PRO 93 Ca -0.17 0.34 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 1w4m n PRO 93 Cb 0.52 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 1w4m n PRO 93 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1w4m h ASP 94 N 0.00 0.57 -3.55 3.54 5.19 -1.97 -3.44 116.42 116.77 1w4m h ASP 94 Ca 0.00 -0.55 -0.52 0.00 -0.62 0.00 0.00 57.03 55.34 1w4m h ASP 94 Cb 0.22 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1w4m h ASP 94 CO 0.00 1.02 0.41 0.00 -3.12 0.00 0.00 179.24 177.54 1w4m s ALA 95 N -4.05 3.29 0.08 3.45 0.00 -1.11 -4.85 121.76 118.57 1w4m s ALA 95 Ca -0.13 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.48 1w4m s ALA 95 Cb 0.06 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1w4m s ALA 95 CO 0.80 -0.10 0.25 -0.06 0.00 0.00 0.00 175.76 176.65 1w4m s PHE 96 N -0.01 3.51 -0.26 0.00 0.08 -0.92 -3.60 117.98 116.77 1w4m s PHE 96 Ca 0.48 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.83 1w4m s PHE 96 Cb -0.25 -1.81 0.13 0.00 -0.57 0.00 0.00 43.02 40.52 1w4m s PHE 96 CO 0.31 0.55 0.34 0.71 -0.10 0.00 0.00 175.22 177.04 1w4m s TYR 97 N -1.55 -0.70 0.55 0.36 2.02 -0.23 -0.71 117.35 117.08 1w4m s TYR 97 Ca 0.36 0.38 0.07 0.00 -0.37 0.00 0.00 57.07 57.50 1w4m s TYR 97 Cb -0.13 -0.19 0.05 0.00 -0.40 0.00 0.00 41.96 41.29 1w4m s TYR 97 CO 0.27 -0.82 0.50 1.52 -1.57 0.00 0.00 175.55 175.45 1w4m s TYR 98 N 2.47 1.60 -2.86 2.71 1.13 -0.67 -2.37 117.35 119.36 1w4m s TYR 98 Ca 0.10 -0.80 0.25 0.00 -1.41 0.00 0.00 57.07 55.21 1w4m s TYR 98 Cb -0.14 -1.99 0.44 0.00 -1.10 0.00 0.00 41.96 39.16 1w4m s TYR 98 CO -0.23 -0.63 1.40 1.19 -2.51 0.00 0.00 175.55 174.76