#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 0.00 -0.33 -2.12 3.38 -2.01 -3.29 115.31 110.94 1w4m h LEU 6 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1w4m h LEU 6 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1w4m h LEU 6 CO 0.00 0.09 -0.80 1.23 0.09 0.00 0.00 178.44 179.05 1w4m h GLY 7 N 3.92 0.41 0.61 0.83 0.00 -2.02 -2.32 103.07 104.50 1w4m h GLY 7 Ca -0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1w4m h GLY 7 CO 0.01 0.56 -0.07 0.00 0.00 0.00 0.00 176.54 177.05 1w4m h ALA 8 N 0.90 -0.18 -0.44 3.60 0.00 -2.00 -2.09 119.26 119.04 1w4m h ALA 8 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1w4m h ALA 8 Cb 1.40 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1w4m h ALA 8 CO 0.14 -0.41 0.26 1.25 0.00 0.00 0.00 179.25 180.49 1w4m h LEU 9 N -0.57 0.54 -0.89 0.00 5.85 -1.66 -2.13 115.31 116.45 1w4m h LEU 9 Ca -0.02 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1w4m h LEU 9 Cb 0.45 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1w4m h LEU 9 CO 0.03 0.45 0.54 0.22 -0.34 0.00 0.00 178.44 179.34 1w4m h TYR 10 N 0.58 0.99 -0.43 1.25 3.20 -1.44 -0.67 116.97 120.45 1w4m h TYR 10 Ca 0.16 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1w4m h TYR 10 Cb 0.01 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 1w4m h TYR 10 CO -0.03 0.45 0.05 -0.07 -1.64 0.00 0.00 178.16 176.93 1w4m h LEU 11 N 0.94 0.63 -0.84 2.82 3.38 -0.90 -1.87 115.31 119.47 1w4m h LEU 11 Ca 0.41 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1w4m h LEU 11 Cb 0.29 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1w4m h LEU 11 CO -0.22 0.66 0.55 0.28 0.09 0.00 0.00 178.44 179.81 1w4m h SER 12 N 0.64 0.95 0.65 -0.43 0.02 -0.49 -0.93 113.55 113.96 1w4m h SER 12 Ca 0.14 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1w4m h SER 12 Cb 0.32 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1w4m h SER 12 CO 0.01 0.68 -0.43 0.24 -1.14 0.00 0.00 176.83 176.19 1w4m h MET 13 N 1.12 0.00 0.00 3.45 2.86 -1.07 -2.42 114.93 118.87 1w4m h MET 13 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1w4m h MET 13 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1w4m h MET 13 CO -0.08 0.43 0.00 1.63 1.06 0.00 0.00 176.91 179.95 1w4m n LYS 14 N -3.74 0.10 -0.29 1.72 4.76 -0.38 -3.15 118.16 117.17 1w4m n LYS 14 Ca -0.01 0.36 -0.15 0.00 -2.87 0.00 0.00 58.31 55.64 1w4m n LYS 14 Cb 0.50 -1.69 0.14 0.00 -1.84 0.00 0.00 35.03 32.14 1w4m n LYS 14 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1w4m n ASP 15 N -1.87 -2.41 0.00 4.39 2.03 -0.91 -5.00 116.55 112.77 1w4m n ASP 15 Ca 0.03 -0.61 0.00 0.00 0.52 0.00 0.00 54.79 54.73 1w4m n ASP 15 Cb 0.19 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -4.08 0.00 -0.01 5.18 -2.24 -1.26 -4.40 114.28 107.46 1w4m n THR 16 Ca 0.07 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1w4m n THR 16 Cb 0.29 -0.12 -0.14 0.00 -2.10 0.00 0.00 70.33 68.26 1w4m n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w4m n GLU 17 N -0.17 0.68 0.19 -0.78 4.71 -1.26 -1.57 120.64 122.45 1w4m n GLU 17 Ca 0.00 0.28 0.06 0.00 -0.01 0.00 0.00 57.16 57.49 1w4m n GLU 17 Cb 0.00 -1.76 0.56 0.00 -1.01 0.00 0.00 31.44 29.23 1w4m n GLU 17 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1w4m h LYS 18 N 0.03 0.13 0.00 3.49 1.79 -1.89 -3.38 116.57 116.74 1w4m h LYS 18 Ca -0.34 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1w4m h LYS 18 Cb 2.02 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 1w4m h LYS 18 CO 0.08 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.99 1w4m n GLY 19 N -1.41 1.17 1.24 3.86 0.00 -1.20 -4.85 105.19 104.01 1w4m n GLY 19 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 1.31 -2.90 -0.61 -5.35 -1.19 -4.85 119.36 105.77 1w4m n ILE 20 Ca 0.00 -0.20 -0.02 0.00 -0.27 0.00 0.00 62.75 62.26 1w4m n ILE 20 Cb 0.00 -1.18 -0.01 0.00 -1.74 0.00 0.00 39.64 36.71 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 0.99 -2.42 -1.39 6.28 4.76 -1.23 -4.65 118.16 120.50 1w4m n LYS 21 Ca 0.00 2.06 -0.57 0.00 -2.87 0.00 0.00 58.31 56.94 1w4m n LYS 21 Cb 0.45 -2.97 -0.10 0.00 -1.84 0.00 0.00 35.03 30.57 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 1.64 0.52 -4.41 1.97 0.28 -0.61 -4.93 120.64 115.10 1w4m n GLU 22 Ca -0.11 0.15 -0.24 0.00 -0.16 0.00 0.00 57.16 56.79 1w4m n GLU 22 Cb 0.30 -1.93 -0.17 0.00 1.43 0.00 0.00 31.44 31.07 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 6.13 1.52 0.37 -1.84 1.02 -1.26 -5.02 118.68 119.60 1w4m s LEU 23 Ca 1.13 -0.27 -0.00 0.00 0.02 0.00 0.00 54.13 55.01 1w4m s LEU 23 Cb -1.21 -0.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 1w4m s LEU 23 CO 0.60 -0.00 0.58 0.54 0.02 0.00 0.00 176.35 178.09 1w4m s ASN 24 N 0.87 6.27 -0.09 2.29 2.20 -1.26 -0.19 114.94 125.03 1w4m s ASN 24 Ca -0.11 0.50 -0.04 0.00 -0.94 0.00 0.00 52.86 52.27 1w4m s ASN 24 Cb -0.15 -2.04 0.04 0.00 -2.00 0.00 0.00 41.25 37.10 1w4m s ASN 24 CO 0.01 -0.35 0.19 -0.22 -2.94 0.00 0.00 177.10 173.80 1w4m s LEU 25 N -4.38 0.46 -0.30 3.54 0.20 -1.09 -4.77 118.68 112.35 1w4m s LEU 25 Ca 0.41 0.40 -0.04 0.00 0.69 0.00 0.00 54.13 55.59 1w4m s LEU 25 Cb -0.10 0.50 0.03 0.00 -0.43 0.00 0.00 46.19 46.20 1w4m s LEU 25 CO 0.37 -0.17 0.03 -0.70 -0.29 0.00 0.00 176.35 175.59 1w4m s GLU 26 N 1.40 2.71 0.00 1.98 2.12 -1.26 -1.66 118.70 123.98 1w4m s GLU 26 Ca -0.07 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1w4m s GLU 26 Cb -0.11 -3.24 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1w4m s GLU 26 CO -0.07 -0.54 0.00 1.17 -0.54 0.00 0.00 175.26 175.28 1w4m n LYS 27 N 4.73 3.47 0.12 4.30 3.00 -0.62 -4.97 118.16 128.20 1w4m n LYS 27 Ca -0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.12 1w4m n LYS 27 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.46 1w4m n LYS 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1w4m h ASP 28 N 0.00 -0.26 0.00 3.14 5.19 -2.06 -3.40 116.42 119.04 1w4m h ASP 28 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1w4m h ASP 28 Cb 0.00 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1w4m h ASP 28 CO 0.00 -0.18 0.00 1.17 -3.12 0.00 0.00 179.24 177.11 1w4m n LYS 29 N -2.82 0.99 -4.12 3.56 4.81 -1.26 -5.07 118.16 114.25 1w4m n LYS 29 Ca -0.04 -0.81 -0.24 0.00 -0.87 0.00 0.00 58.31 56.35 1w4m n LYS 29 Cb 0.12 -0.75 -0.05 0.00 0.02 0.00 0.00 35.03 34.37 1w4m n LYS 29 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1w4m s LYS 30 N -0.37 2.83 -0.36 1.64 -0.14 -1.26 -5.10 119.74 116.97 1w4m s LYS 30 Ca 0.00 -1.00 0.01 0.00 -1.36 0.00 0.00 55.97 53.62 1w4m s LYS 30 Cb 0.00 -2.55 0.11 0.00 -1.68 0.00 0.00 37.83 33.71 1w4m s LYS 30 CO 0.00 0.44 0.14 0.42 -0.76 0.00 0.00 175.35 175.59 1w4m s ILE 31 N -1.94 1.30 0.31 2.17 1.01 -1.26 -1.58 121.20 121.20 1w4m s ILE 31 Ca 0.31 -1.97 -0.16 0.00 0.00 0.00 0.00 60.65 58.84 1w4m s ILE 31 Cb -0.09 -1.95 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 1w4m s ILE 31 CO 0.23 -0.74 0.74 -0.36 0.00 0.00 0.00 174.94 174.81 1w4m s PHE 32 N 1.05 3.40 -0.06 3.97 0.08 -0.67 -5.00 117.98 120.74 1w4m s PHE 32 Ca 0.13 1.25 -0.02 0.00 0.12 0.00 0.00 56.93 58.41 1w4m s PHE 32 Cb -0.20 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 1w4m s PHE 32 CO -0.13 0.11 0.03 -0.80 -0.10 0.00 0.00 175.22 174.33 1w4m s ASN 33 N -2.20 5.41 -1.10 1.36 -0.87 -1.26 -2.65 114.94 113.61 1w4m s ASN 33 Ca 0.53 0.15 -0.18 0.00 -1.57 0.00 0.00 52.86 51.79 1w4m s ASN 33 Cb -0.11 -1.54 -0.01 0.00 -0.02 0.00 0.00 41.25 39.57 1w4m s ASN 33 CO 0.18 0.35 0.80 1.41 -2.57 0.00 0.00 177.10 177.27 1w4m n HIS 34 N 1.86 -2.01 -3.97 2.20 8.25 -1.07 -2.70 115.22 117.79 1w4m n HIS 34 Ca -0.17 0.52 -0.35 0.00 -0.26 0.00 0.00 57.72 57.46 1w4m n HIS 34 Cb 0.53 -3.50 -0.10 0.00 1.12 0.00 0.00 29.99 28.04 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 3.71 -0.23 -2.91 0.00 -1.74 -1.00 -4.64 117.46 110.64 1w4m n PHE 36 Ca -0.16 -0.62 -0.13 0.00 -0.56 0.00 0.00 57.45 55.97 1w4m n PHE 36 Cb 0.52 0.07 0.05 0.00 1.52 0.00 0.00 39.48 41.64 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 -0.14 0.00 -0.04 1.97 -2.24 -1.26 -1.43 114.28 111.13 1w4m n THR 37 Ca 0.02 -1.23 -0.19 0.00 -2.27 0.00 0.00 64.05 60.38 1w4m n THR 37 Cb 0.14 -0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.03 0.11 2.00 3.38 0.00 -1.60 -3.32 103.07 103.61 1w4m h GLY 38 Ca -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1w4m h GLY 38 CO 0.25 0.25 0.00 1.16 0.00 0.00 0.00 176.54 178.21 1w4m n ASN 39 N -4.32 0.04 0.20 0.19 0.23 -1.26 -2.93 115.26 107.41 1w4m n ASN 39 Ca -0.21 0.51 -0.13 0.00 -0.53 0.00 0.00 54.58 54.23 1w4m n ASN 39 Cb 0.69 -0.52 -0.07 0.00 -2.08 0.00 0.00 39.78 37.80 1w4m n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1w4m h VAL 41 N -0.93 0.89 -0.24 0.00 2.07 -1.71 -0.55 116.25 115.79 1w4m h VAL 41 Ca -0.06 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 1w4m h VAL 41 Cb 0.55 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1w4m h VAL 41 CO 0.09 0.01 -0.17 0.40 0.02 0.00 0.00 177.57 177.91 1w4m h ILE 42 N 0.04 1.31 -0.14 4.57 1.08 -1.62 -0.05 117.51 122.70 1w4m h ILE 42 Ca 0.12 -1.30 -0.13 0.00 -0.39 0.00 0.00 64.86 63.16 1w4m h ILE 42 Cb 0.44 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.82 1w4m h ILE 42 CO -0.01 0.40 -0.46 0.44 -0.69 0.00 0.00 178.15 177.83 1w4m h ASP 43 N 0.24 0.37 0.10 1.72 3.32 -0.89 -1.71 116.42 119.57 1w4m h ASP 43 Ca 0.05 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1w4m h ASP 43 Cb 0.71 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1w4m h ASP 43 CO 0.05 0.79 -0.05 -0.25 -1.72 0.00 0.00 179.24 178.06 1w4m h TRP 44 N 0.28 -0.12 -0.77 4.55 7.01 -1.08 -0.80 115.95 125.03 1w4m h TRP 44 Ca 0.02 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.06 1w4m h TRP 44 Cb 0.93 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.98 1w4m h TRP 44 CO 0.02 0.37 0.50 -0.07 -2.79 0.00 0.00 178.44 176.47 1w4m h LEU 45 N -0.69 0.78 -0.60 0.65 4.07 -1.03 -1.04 115.31 117.45 1w4m h LEU 45 Ca -0.01 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.79 1w4m h LEU 45 Cb 0.54 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1w4m h LEU 45 CO 0.02 0.53 -0.55 0.58 -1.08 0.00 0.00 178.44 177.95 1w4m h VAL 46 N 0.90 1.34 0.00 1.22 2.07 -1.31 -2.65 116.25 117.82 1w4m h VAL 46 Ca 0.31 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1w4m h VAL 46 Cb 0.11 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1w4m h VAL 46 CO -0.10 0.55 0.00 -0.24 0.02 0.00 0.00 177.57 177.81 1w4m n SER 47 N -3.94 0.74 -0.77 0.57 2.88 -0.31 -4.53 113.62 108.26 1w4m n SER 47 Ca -0.03 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1w4m n SER 47 Cb 0.59 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1w4m n SER 47 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1w4m n ASN 48 N -2.28 0.00 -0.90 -3.46 4.05 -0.65 -5.02 115.26 107.00 1w4m n ASN 48 Ca 0.03 0.00 0.10 0.00 0.45 0.00 0.00 54.58 55.16 1w4m n ASN 48 Cb 0.29 0.00 0.12 0.00 1.23 0.00 0.00 39.78 41.42 1w4m n ASN 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1w4m n GLN 49 N 0.00 2.06 0.12 1.20 6.02 -1.26 -4.58 117.38 120.94 1w4m n GLN 49 Ca 0.00 -1.89 -0.05 0.00 -0.01 0.00 0.00 57.00 55.05 1w4m n GLN 49 Cb 0.00 -1.42 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 1w4m n GLN 49 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1w4m h SER 50 N 4.04 -0.28 -0.88 1.08 4.64 -1.91 -3.48 113.55 116.75 1w4m h SER 50 Ca 0.00 0.01 -0.66 0.00 -0.47 0.00 0.00 61.79 60.67 1w4m h SER 50 Cb 0.88 0.07 -0.13 0.00 -0.31 0.00 0.00 62.40 62.91 1w4m h SER 50 CO 0.00 -0.07 -0.52 0.68 -0.87 0.00 0.00 176.83 176.05 1w4m s VAL 51 N -2.81 1.10 0.09 0.95 -7.23 -1.08 -5.05 120.40 106.36 1w4m s VAL 51 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1w4m s VAL 51 Cb 0.00 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1w4m s VAL 51 CO 0.14 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.79 1w4m n ARG 52 N -1.19 0.00 -2.11 4.82 0.00 -1.26 -4.28 116.66 112.63 1w4m n ARG 52 Ca -0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.40 1w4m n ARG 52 Cb 0.67 -0.25 0.03 0.00 0.00 0.00 0.00 32.46 32.90 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 -5.23 5.74 0.22 6.15 0.01 -1.26 -4.82 114.94 115.74 1w4m s ASN 53 Ca 0.00 1.05 -0.06 0.00 -0.71 0.00 0.00 52.86 53.13 1w4m s ASN 53 Cb 0.00 -2.01 0.18 0.00 0.41 0.00 0.00 41.25 39.83 1w4m s ASN 53 CO 0.00 -1.08 1.71 -0.09 -1.51 0.00 0.00 177.10 176.13 1w4m h ARG 54 N -0.35 1.01 -0.63 -0.60 2.43 -1.99 -2.71 114.38 111.53 1w4m h ARG 54 Ca -0.45 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.39 1w4m h ARG 54 Cb 1.24 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1w4m h ARG 54 CO 0.62 0.95 0.18 0.37 -1.51 0.00 0.00 179.97 180.59 1w4m h GLN 55 N 0.94 0.99 -0.21 0.20 4.15 -1.98 -1.04 115.11 118.16 1w4m h GLN 55 Ca 0.18 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1w4m h GLN 55 Cb 0.46 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1w4m h GLN 55 CO 0.02 0.88 0.08 0.93 -1.93 0.00 0.00 178.83 178.81 1w4m h GLU 56 N 0.92 0.18 0.00 1.69 3.07 -1.90 -1.35 114.58 117.19 1w4m h GLU 56 Ca 0.20 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1w4m h GLU 56 Cb 0.31 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1w4m h GLU 56 CO -0.00 0.12 0.00 0.78 -1.40 0.00 0.00 179.01 178.51 1w4m h GLY 57 N 0.19 0.00 0.52 -3.84 0.00 -1.35 -2.74 103.07 95.85 1w4m h GLY 57 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 1w4m h GLY 57 CO -0.08 0.00 -0.32 -2.00 0.00 0.00 0.00 176.54 174.13 1w4m h LEU 58 N 0.00 0.29 -0.38 3.11 6.46 -0.13 -2.57 115.31 122.08 1w4m h LEU 58 Ca 0.00 -0.77 -0.12 0.00 -0.12 0.00 0.00 57.88 56.87 1w4m h LEU 58 Cb 0.52 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1w4m h LEU 58 CO 0.00 1.02 -0.22 0.00 -0.62 0.00 0.00 178.44 178.62 1w4m h MET 59 N -0.42 0.83 -0.16 1.25 -0.00 -1.29 -2.25 114.93 112.88 1w4m h MET 59 Ca -0.04 -0.38 0.00 0.00 -0.00 0.00 0.00 59.70 59.28 1w4m h MET 59 Cb 1.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.65 1w4m h MET 59 CO 0.06 1.01 0.10 0.82 -0.00 0.00 0.00 176.91 178.91 1w4m h ILE 60 N 0.63 1.05 -0.26 -0.10 1.08 -1.60 -1.79 117.51 116.52 1w4m h ILE 60 Ca 0.08 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1w4m h ILE 60 Cb 0.78 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 1w4m h ILE 60 CO 0.06 0.04 0.17 0.00 -0.69 0.00 0.00 178.15 177.74 1w4m h ALA 61 N 1.05 1.82 -0.87 1.87 0.00 -1.43 -1.15 119.26 120.55 1w4m h ALA 61 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1w4m h ALA 61 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1w4m h ALA 61 CO -0.01 0.17 0.49 0.77 0.00 0.00 0.00 179.25 180.67 1w4m h SER 62 N 0.35 1.07 -0.10 0.00 0.02 -0.71 -1.65 113.55 112.54 1w4m h SER 62 Ca 0.10 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1w4m h SER 62 Cb -0.04 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1w4m h SER 62 CO -0.02 0.85 -0.14 -1.28 -1.14 0.00 0.00 176.83 175.10 1w4m h SER 63 N 1.21 0.43 0.65 3.07 0.87 -0.72 -0.38 113.55 118.68 1w4m h SER 63 Ca 0.31 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1w4m h SER 63 Cb 0.00 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1w4m h SER 63 CO -0.05 0.60 -0.51 -0.07 -0.53 0.00 0.00 176.83 176.28 1w4m h LEU 64 N 0.41 -1.34 -1.41 2.23 3.38 -0.87 -1.48 115.31 116.25 1w4m h LEU 64 Ca 0.08 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1w4m h LEU 64 Cb 0.49 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1w4m h LEU 64 CO 0.03 -0.72 -0.29 0.25 0.09 0.00 0.00 178.44 177.80 1w4m h LEU 65 N -1.12 0.00 -1.17 1.67 5.85 -1.44 -1.78 115.31 117.32 1w4m h LEU 65 Ca -0.08 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1w4m h LEU 65 Cb 0.93 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1w4m h LEU 65 CO 0.02 0.29 0.37 -1.13 -0.34 0.00 0.00 178.44 177.65 1w4m h ASN 66 N 0.00 0.84 1.81 1.25 -0.00 -0.62 -1.70 115.58 117.17 1w4m h ASN 66 Ca -0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 56.30 56.20 1w4m h ASN 66 Cb 0.57 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.67 1w4m h ASN 66 CO 0.04 0.68 -0.19 -0.33 -0.00 0.00 0.00 177.43 177.63 1w4m h GLU 67 N 0.95 0.00 0.00 6.67 5.08 -0.96 -3.47 114.58 122.85 1w4m h GLU 67 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1w4m h GLU 67 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1w4m h GLU 67 CO -0.04 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 1w4m n GLY 68 N 1.14 1.24 0.16 -3.84 0.00 -0.64 -5.02 105.19 98.24 1w4m n GLY 68 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.60 -2.90 1.61 0.05 -1.53 -3.46 116.97 111.34 1w4m h TYR 69 Ca 0.00 -0.22 -0.45 0.00 0.05 0.00 0.00 58.73 58.11 1w4m h TYR 69 Cb 0.00 -0.11 0.07 0.00 1.01 0.00 0.00 36.73 37.70 1w4m h TYR 69 CO 0.00 0.94 0.09 -0.51 -1.05 0.00 0.00 178.16 177.64 1w4m s LEU 70 N -8.83 3.05 -0.24 3.88 2.01 -1.26 -4.91 118.68 112.38 1w4m s LEU 70 Ca -0.13 0.08 -0.02 0.00 0.01 0.00 0.00 54.13 54.06 1w4m s LEU 70 Cb 0.06 -2.75 0.08 0.00 0.01 0.00 0.00 46.19 43.58 1w4m s LEU 70 CO 0.80 -1.49 0.07 -1.58 1.01 0.00 0.00 176.35 175.16 1w4m s GLN 71 N -5.03 0.59 0.14 1.70 2.00 -0.81 -4.89 119.66 113.36 1w4m s GLN 71 Ca 0.61 -0.62 -0.31 0.00 -2.00 0.00 0.00 55.36 53.04 1w4m s GLN 71 Cb -0.09 -1.94 -0.11 0.00 0.80 0.00 0.00 33.01 31.68 1w4m s GLN 71 CO 0.42 -0.80 1.80 -2.14 -0.50 0.00 0.00 175.29 174.08 1w4m s PRO 72 N 1.83 4.14 -0.05 1.67 0.02 -1.26 -2.14 135.00 139.20 1w4m s PRO 72 Ca 0.04 2.59 0.06 0.00 0.02 0.00 0.00 61.00 63.70 1w4m s PRO 72 Cb -0.17 -3.49 -0.01 0.00 0.02 0.00 0.00 34.50 30.84 1w4m s PRO 72 CO -0.17 -0.82 -0.23 0.00 -0.33 0.00 0.00 177.00 175.45 1w4m s ALA 73 N 2.43 2.26 0.00 -1.55 0.00 -0.30 -4.77 121.76 119.83 1w4m s ALA 73 Ca 0.79 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1w4m s ALA 73 Cb -0.47 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1w4m s ALA 73 CO 0.35 0.45 0.00 0.41 0.00 0.00 0.00 175.76 176.97 1w4m n GLY 74 N 2.80 -1.57 0.08 0.00 0.00 -1.26 -2.09 105.19 103.15 1w4m n GLY 74 Ca -0.17 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.74 1w4m n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w4m n ASP 75 N 0.00 0.75 -0.06 1.61 9.92 -1.26 -3.43 116.55 124.08 1w4m n ASP 75 Ca 0.00 0.17 -0.07 0.00 -0.53 0.00 0.00 54.79 54.35 1w4m n ASP 75 Cb 0.00 0.41 -0.06 0.00 -0.64 0.00 0.00 41.12 40.83 1w4m n ASP 75 CO 0.00 0.00 0.00 -0.03 0.13 0.00 0.00 177.20 177.30 1w4m h MET 76 N 0.00 0.00 0.00 -1.24 4.05 -1.96 -3.09 114.93 112.69 1w4m h MET 76 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1w4m h MET 76 Cb 0.86 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1w4m h MET 76 CO 0.00 0.46 -0.03 0.77 0.23 0.00 0.00 176.91 178.34 1w4m h SER 77 N -1.00 0.00 0.54 1.39 0.02 -1.77 -0.64 113.55 112.09 1w4m h SER 77 Ca -0.03 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.69 1w4m h SER 77 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1w4m h SER 77 CO -0.02 0.03 -1.03 0.11 -1.14 0.00 0.00 176.83 174.79 1w4m h LYS 78 N 0.00 0.28 -0.00 3.45 1.57 -1.67 -3.21 116.57 116.99 1w4m h LYS 78 Ca -0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1w4m h LYS 78 Cb 0.29 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1w4m h LYS 78 CO 0.00 1.10 -0.51 0.45 -0.57 0.00 0.00 179.45 179.92 1w4m n SER 79 N -3.63 0.60 -0.06 0.86 2.88 -0.86 -4.09 113.62 109.33 1w4m n SER 79 Ca -0.06 -0.37 -0.14 0.00 -1.33 0.00 0.00 58.87 56.97 1w4m n SER 79 Cb 0.90 0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 64.57 1w4m n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w4m h ALA 80 N 3.08 0.27 -0.09 -1.46 0.00 -1.14 -3.01 119.26 116.91 1w4m h ALA 80 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1w4m h ALA 80 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1w4m h ALA 80 CO 0.00 0.31 0.00 1.33 0.00 0.00 0.00 179.25 180.89 1w4m n VAL 81 N -4.34 0.12 0.15 0.00 0.24 -1.24 -4.15 118.33 109.11 1w4m n VAL 81 Ca -0.06 -0.14 -0.06 0.00 -2.04 0.00 0.00 64.34 62.04 1w4m n VAL 81 Cb 0.49 0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.85 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 0.69 -0.35 0.00 -1.34 3.58 -1.68 -3.45 116.42 113.88 1w4m h ASP 82 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1w4m h ASP 82 Cb 0.16 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1w4m h ASP 82 CO 0.00 -0.16 0.00 0.61 -2.88 0.00 0.00 179.24 176.81 1w4m n GLY 83 N -0.11 0.55 3.77 -0.78 0.00 -1.26 -4.92 105.19 102.44 1w4m n GLY 83 Ca -0.05 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 2.81 -0.86 2.61 2.01 -1.26 -4.93 115.64 116.02 1w4m s THR 84 Ca 0.00 0.81 0.15 0.00 0.31 0.00 0.00 61.69 62.96 1w4m s THR 84 Cb 0.00 -3.51 0.49 0.00 0.01 0.00 0.00 72.50 69.49 1w4m s THR 84 CO 0.00 0.19 1.41 0.00 -0.69 0.00 0.00 174.62 175.53 1w4m n ALA 85 N 0.79 2.62 -0.18 7.40 0.00 -1.26 -4.53 120.51 125.34 1w4m n ALA 85 Ca 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 53.44 51.83 1w4m n ALA 85 Cb 0.42 -0.68 0.11 0.00 0.00 0.00 0.00 19.45 19.31 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 2.63 0.97 -2.49 0.00 4.22 -1.96 -3.34 114.58 114.61 1w4m h GLU 86 Ca 0.00 -0.23 -0.60 0.00 0.08 0.00 0.00 59.36 58.61 1w4m h GLU 86 Cb 1.11 -0.13 -0.40 0.00 0.50 0.00 0.00 28.75 29.83 1w4m h GLU 86 CO 0.11 0.89 -0.81 0.27 -2.18 0.00 0.00 179.01 177.29 1w4m n ASN 87 N -4.23 1.45 -0.04 1.04 6.94 -1.26 -4.95 115.26 114.20 1w4m n ASN 87 Ca 0.04 -2.88 -0.15 0.00 -0.02 0.00 0.00 54.58 51.58 1w4m n ASN 87 Cb 0.27 -0.65 -0.13 0.00 -2.36 0.00 0.00 39.78 36.91 1w4m n ASN 87 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1w4m h PRO 88 N 5.00 0.07 -6.26 -0.53 0.13 -1.86 -3.44 132.00 125.10 1w4m h PRO 88 Ca 0.18 -0.09 -0.55 0.00 -0.87 0.00 0.00 66.00 64.67 1w4m h PRO 88 Cb 0.81 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1w4m h PRO 88 CO 0.58 0.96 1.11 0.12 -0.23 0.00 0.00 178.00 180.53 1w4m s PHE 89 N -2.62 1.97 -0.16 1.56 2.19 -1.26 -4.84 117.98 114.82 1w4m s PHE 89 Ca -0.17 0.24 -0.07 0.00 0.33 0.00 0.00 56.93 57.26 1w4m s PHE 89 Cb -0.01 -3.93 -0.04 0.00 -1.31 0.00 0.00 43.02 37.73 1w4m s PHE 89 CO 0.71 -3.75 0.10 -0.51 1.83 0.00 0.00 175.22 173.61 1w4m s LEU 90 N 4.32 4.09 -0.19 6.12 1.43 -1.26 -4.82 118.68 128.37 1w4m s LEU 90 Ca 0.74 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1w4m s LEU 90 Cb -0.32 -2.02 0.22 0.00 0.03 0.00 0.00 46.19 44.10 1w4m s LEU 90 CO 0.30 0.28 1.58 -0.90 0.23 0.00 0.00 176.35 177.83 1w4m n ASP 91 N 2.85 4.32 -4.74 2.29 5.75 -1.26 -4.18 116.55 121.57 1w4m n ASP 91 Ca -0.18 -2.71 -0.34 0.00 -0.01 0.00 0.00 54.79 51.55 1w4m n ASP 91 Cb 0.53 -0.78 -0.08 0.00 -1.03 0.00 0.00 41.12 39.76 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 5.52 0.00 -1.12 2.47 -1.26 -4.00 114.94 116.87 1w4m s ASN 92 Ca 0.22 0.18 0.20 0.00 0.42 0.00 0.00 52.86 53.88 1w4m s ASN 92 Cb 0.18 -1.59 1.20 0.00 -1.45 0.00 0.00 41.25 39.59 1w4m s ASN 92 CO 0.02 0.34 1.65 -0.81 -3.72 0.00 0.00 177.10 174.58 1w4m n PRO 93 N 1.77 0.78 -0.08 0.43 -0.04 -1.26 -2.94 135.00 133.66 1w4m n PRO 93 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1w4m n PRO 93 Cb 0.53 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.00 -3.17 3.54 5.19 -1.96 -3.46 116.42 116.56 1w4m h ASP 94 Ca 0.00 -0.32 -0.53 0.00 -0.62 0.00 0.00 57.03 55.56 1w4m h ASP 94 Cb 0.00 0.00 0.06 0.00 0.18 0.00 0.00 39.33 39.57 1w4m h ASP 94 CO 0.00 1.08 0.83 0.00 -3.12 0.00 0.00 179.24 178.03 1w4m s ALA 95 N -2.50 3.71 0.21 3.45 0.00 -1.23 -5.00 121.76 120.39 1w4m s ALA 95 Ca -0.20 1.39 -0.07 0.00 0.00 0.00 0.00 51.96 53.08 1w4m s ALA 95 Cb 0.03 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 1w4m s ALA 95 CO 0.41 -0.80 0.48 -0.06 0.00 0.00 0.00 175.76 175.79 1w4m s PHE 96 N 0.40 3.45 -0.30 0.00 0.08 -0.89 -3.67 117.98 117.05 1w4m s PHE 96 Ca 0.64 0.70 0.01 0.00 0.12 0.00 0.00 56.93 58.41 1w4m s PHE 96 Cb -0.44 -2.13 0.15 0.00 -0.57 0.00 0.00 43.02 40.04 1w4m s PHE 96 CO 0.40 0.31 0.37 0.71 -0.10 0.00 0.00 175.22 176.92 1w4m s TYR 97 N -1.81 -0.78 0.27 0.36 2.02 -0.51 -1.15 117.35 115.74 1w4m s TYR 97 Ca 0.44 0.06 0.04 0.00 -0.37 0.00 0.00 57.07 57.24 1w4m s TYR 97 Cb -0.11 -0.27 0.04 0.00 -0.40 0.00 0.00 41.96 41.22 1w4m s TYR 97 CO 0.24 -0.97 0.33 2.48 -1.57 0.00 0.00 175.55 176.06 1w4m n TYR 98 N 5.23 -2.21 0.64 2.71 4.11 -0.91 -2.38 117.16 124.34 1w4m n TYR 98 Ca 0.01 -1.04 0.08 0.00 -0.00 0.00 0.00 57.90 56.94 1w4m n TYR 98 Cb 0.48 -0.25 0.06 0.00 -0.00 0.00 0.00 39.34 39.63 1w4m n TYR 98 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05