#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa9 s MET 27 N 0.00 4.07 -0.06 1.43 -1.94 -1.26 -2.15 119.30 119.39 2wa9 s MET 27 Ca 0.00 0.60 0.02 0.00 -1.71 0.00 0.00 55.69 54.60 2wa9 s MET 27 Cb 0.00 -3.00 0.02 0.00 2.01 0.00 0.00 34.83 33.86 2wa9 s MET 27 CO 0.00 0.50 -0.10 0.71 -0.01 0.00 0.00 175.02 176.12 2wa9 s TYR 28 N -1.39 1.25 0.18 -0.03 1.51 0.29 -4.00 117.35 115.16 2wa9 s TYR 28 Ca 0.36 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.68 2wa9 s TYR 28 Cb -0.16 -0.95 -0.08 0.00 -0.11 0.00 0.00 41.96 40.66 2wa9 s TYR 28 CO 0.19 -0.25 1.21 0.15 -1.11 0.00 0.00 175.55 175.74 2wa9 s LYS 29 N 0.72 4.48 -0.35 -0.62 1.02 0.43 -1.03 119.74 124.39 2wa9 s LYS 29 Ca -0.14 1.89 -0.08 0.00 0.02 0.00 0.00 55.97 57.66 2wa9 s LYS 29 Cb -0.15 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 33.95 2wa9 s LYS 29 CO 0.03 -0.11 0.14 0.08 -0.92 0.00 0.00 175.35 174.57 2wa9 s VAL 30 N -0.02 4.08 -0.02 3.17 1.01 0.25 -3.68 120.40 125.20 2wa9 s VAL 30 Ca 0.53 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2wa9 s VAL 30 Cb -0.33 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2wa9 s VAL 30 CO 0.37 -0.16 -0.06 -0.63 0.00 0.00 0.00 175.10 174.61 2wa9 s ILE 31 N 1.47 3.74 -0.18 2.22 1.01 -0.53 -0.12 121.20 128.81 2wa9 s ILE 31 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2wa9 s ILE 31 Cb -0.19 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 2wa9 s ILE 31 CO 0.04 0.47 -0.09 -0.22 0.00 0.00 0.00 174.94 175.14 2wa9 s LEU 32 N -1.20 2.78 -0.11 2.97 2.96 -0.64 -0.27 118.68 125.17 2wa9 s LEU 32 Ca 0.16 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2wa9 s LEU 32 Cb -0.11 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2wa9 s LEU 32 CO 0.05 0.06 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.44 2wa9 s VAL 33 N 1.00 4.19 0.47 1.68 1.01 -0.44 -1.63 120.40 126.68 2wa9 s VAL 33 Ca -0.01 -0.28 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 2wa9 s VAL 33 Cb -0.15 -2.79 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 2wa9 s VAL 33 CO -0.01 0.56 1.17 0.21 0.00 0.00 0.00 175.10 177.04 2wa9 s ASN 34 N -0.43 6.08 0.02 3.32 2.47 -0.84 -4.18 114.94 121.38 2wa9 s ASN 34 Ca 0.08 2.32 -0.17 0.00 0.42 0.00 0.00 52.86 55.50 2wa9 s ASN 34 Cb -0.12 -2.60 0.03 0.00 -1.45 0.00 0.00 41.25 37.11 2wa9 s ASN 34 CO 0.02 -0.98 0.39 1.51 -3.72 0.00 0.00 177.10 174.32 2wa9 s ASP 35 N -1.38 -0.26 0.00 -4.21 1.47 -1.26 -4.96 116.67 106.07 2wa9 s ASP 35 Ca 0.65 0.03 0.19 0.00 1.18 0.00 0.00 52.55 54.60 2wa9 s ASP 35 Cb -0.29 0.39 1.12 0.00 -0.34 0.00 0.00 42.92 43.81 2wa9 s ASP 35 CO 0.35 -0.60 1.64 0.47 0.68 0.00 0.00 175.17 177.71 2wa9 n ASP 36 N 0.72 0.00 -0.01 2.11 8.00 -1.26 -3.96 116.55 122.15 2wa9 n ASP 36 Ca -0.19 -1.16 -0.01 0.00 0.71 0.00 0.00 54.79 54.14 2wa9 n ASP 36 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2wa9 n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wa9 n TYR 37 N -0.84 0.00 -2.04 1.24 4.01 -1.26 -4.98 117.16 113.30 2wa9 n TYR 37 Ca 0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.46 2wa9 n TYR 37 Cb 0.06 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 2wa9 n TYR 37 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wa9 s THR 38 N -2.05 3.58 0.69 -0.72 2.01 -1.25 -4.98 115.64 112.92 2wa9 s THR 38 Ca -0.02 0.76 -0.17 0.00 0.31 0.00 0.00 61.69 62.58 2wa9 s THR 38 Cb 0.01 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2wa9 s THR 38 CO 0.07 -0.06 0.74 -2.65 -0.69 0.00 0.00 174.62 172.03 2wa9 n PRO 39 N 6.84 0.48 -0.06 4.92 -0.02 -1.26 -4.92 135.00 140.97 2wa9 n PRO 39 Ca 0.17 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.70 2wa9 n PRO 39 Cb 0.43 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 2wa9 n PRO 39 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2wa9 h MET 40 N -0.14 0.73 -0.76 -0.52 2.86 -2.00 -2.87 114.93 112.23 2wa9 h MET 40 Ca -0.47 -0.50 0.17 0.00 -2.06 0.00 0.00 59.70 56.84 2wa9 h MET 40 Cb 1.35 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.97 2wa9 h MET 40 CO 0.46 1.12 0.21 0.93 1.06 0.00 0.00 176.91 180.69 2wa9 h GLU 41 N 0.45 0.29 -0.29 1.72 4.39 -1.99 -1.01 114.58 118.14 2wa9 h GLU 41 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2wa9 h GLU 41 Cb 1.13 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2wa9 h GLU 41 CO 0.11 0.19 0.15 0.35 -1.16 0.00 0.00 179.01 178.66 2wa9 h PHE 42 N 0.30 0.41 -0.99 4.33 3.57 -1.88 0.38 116.94 123.06 2wa9 h PHE 42 Ca 0.43 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.01 2wa9 h PHE 42 Cb 0.75 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 2wa9 h PHE 42 CO -0.24 0.35 0.63 0.28 -2.23 0.00 0.00 178.31 177.10 2wa9 h VAL 43 N 0.35 1.02 -0.20 1.41 2.07 -1.20 0.79 116.25 120.50 2wa9 h VAL 43 Ca 0.10 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2wa9 h VAL 43 Cb 0.08 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 2wa9 h VAL 43 CO -0.02 0.20 0.08 0.40 0.02 0.00 0.00 177.57 178.25 2wa9 h ILE 44 N 1.08 1.16 -0.43 4.57 2.04 0.02 -1.09 117.51 124.87 2wa9 h ILE 44 Ca 0.45 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2wa9 h ILE 44 Cb 0.30 1.11 -0.09 0.00 -0.74 0.00 0.00 36.82 37.40 2wa9 h ILE 44 CO -0.20 0.16 -0.49 -0.78 0.00 0.00 0.00 178.15 176.84 2wa9 h ASP 45 N 0.17 -1.63 -0.58 1.72 3.58 0.85 -1.15 116.42 119.39 2wa9 h ASP 45 Ca 0.07 0.23 0.12 0.00 0.42 0.00 0.00 57.03 57.87 2wa9 h ASP 45 Cb 0.17 0.69 -0.10 0.00 1.72 0.00 0.00 39.33 41.82 2wa9 h ASP 45 CO -0.01 -0.38 0.00 0.58 -2.88 0.00 0.00 179.24 176.55 2wa9 h VAL 46 N -0.35 0.53 -0.30 2.25 2.07 -0.70 -0.24 116.25 119.52 2wa9 h VAL 46 Ca 0.12 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 2wa9 h VAL 46 Cb 0.59 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2wa9 h VAL 46 CO -0.60 0.02 -0.20 -0.07 0.02 0.00 0.00 177.57 176.74 2wa9 h LEU 47 N 0.12 0.55 -0.01 2.57 3.38 -0.41 -1.33 115.31 120.19 2wa9 h LEU 47 Ca 0.30 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 2wa9 h LEU 47 Cb 0.47 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2wa9 h LEU 47 CO -0.49 0.76 -0.99 1.56 0.09 0.00 0.00 178.44 179.37 2wa9 h GLN 48 N 0.50 0.00 0.10 1.13 4.20 -0.75 -2.82 115.11 117.47 2wa9 h GLN 48 Ca 0.08 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.47 2wa9 h GLN 48 Cb 0.62 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2wa9 h GLN 48 CO 0.04 0.99 -1.67 -0.22 -0.67 0.00 0.00 178.83 177.30 2wa9 h LYS 49 N 0.00 0.21 -0.01 1.46 3.64 -0.77 -3.23 116.57 117.87 2wa9 h LYS 49 Ca -0.01 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2wa9 h LYS 49 Cb 1.76 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 2wa9 h LYS 49 CO 0.13 1.02 -0.04 1.19 -2.27 0.00 0.00 179.45 179.48 2wa9 n PHE 50 N -3.38 0.00 -0.33 1.91 3.72 -0.53 -4.64 117.46 114.21 2wa9 n PHE 50 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2wa9 n PHE 50 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 2wa9 n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2wa9 n PHE 51 N 0.02 0.00 -1.88 1.38 3.01 -1.10 -5.03 117.46 113.86 2wa9 n PHE 51 Ca 0.03 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.28 2wa9 n PHE 51 Cb 0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.52 2wa9 n PHE 51 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2wa9 n SER 52 N -0.15 -5.53 -4.76 4.37 7.64 -1.08 -4.97 113.62 109.13 2wa9 n SER 52 Ca 0.00 0.32 -0.35 0.00 1.01 0.00 0.00 58.87 59.85 2wa9 n SER 52 Cb 0.08 -4.79 0.03 0.00 -1.01 0.00 0.00 64.21 58.52 2wa9 n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wa9 s TYR 53 N -2.83 2.48 0.69 1.43 2.02 -1.12 -4.99 117.35 115.03 2wa9 s TYR 53 Ca 0.00 1.53 -0.10 0.00 -0.37 0.00 0.00 57.07 58.13 2wa9 s TYR 53 Cb 0.00 -3.40 0.02 0.00 -0.40 0.00 0.00 41.96 38.18 2wa9 s TYR 53 CO 0.00 -1.98 1.06 0.16 -1.57 0.00 0.00 175.55 173.22 2wa9 s ASP 54 N -1.75 5.38 0.26 2.29 -4.77 -1.26 -4.37 116.67 112.45 2wa9 s ASP 54 Ca 0.75 1.00 -0.01 0.00 -3.30 0.00 0.00 52.55 50.99 2wa9 s ASP 54 Cb -0.27 -1.81 0.57 0.00 -1.09 0.00 0.00 42.92 40.32 2wa9 s ASP 54 CO 0.32 -1.34 1.70 0.58 0.70 0.00 0.00 175.17 177.13 2wa9 h VAL 55 N -0.60 0.53 0.61 2.11 2.07 -1.97 -1.51 116.25 117.49 2wa9 h VAL 55 Ca -0.45 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 2wa9 h VAL 55 Cb 1.26 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2wa9 h VAL 55 CO 0.63 0.07 -0.51 -0.33 0.02 0.00 0.00 177.57 177.45 2wa9 h GLU 56 N 0.37 -1.05 -0.94 1.57 5.08 -2.01 -2.33 114.58 115.28 2wa9 h GLU 56 Ca 0.47 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 2wa9 h GLU 56 Cb 0.83 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2wa9 h GLU 56 CO -0.49 -0.70 0.56 0.00 -1.00 0.00 0.00 179.01 177.38 2wa9 h ARG 57 N -1.09 1.28 -0.91 2.33 2.47 -1.85 -2.22 114.38 114.39 2wa9 h ARG 57 Ca -0.08 -0.12 0.16 0.00 -1.26 0.00 0.00 59.98 58.68 2wa9 h ARG 57 Cb 0.91 -0.27 -0.07 0.00 -1.65 0.00 0.00 29.97 28.89 2wa9 h ARG 57 CO -0.01 0.90 0.58 0.00 0.56 0.00 0.00 179.97 182.01 2wa9 h ALA 58 N 1.32 1.87 -0.16 0.04 0.00 -1.07 -1.50 119.26 119.76 2wa9 h ALA 58 Ca 0.34 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 2wa9 h ALA 58 Cb -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2wa9 h ALA 58 CO -0.06 -0.14 -0.55 1.15 0.00 0.00 0.00 179.25 179.65 2wa9 h THR 59 N 0.66 1.32 -0.27 0.00 2.02 -0.84 -0.47 112.91 115.33 2wa9 h THR 59 Ca 0.47 -1.80 0.03 0.00 0.77 0.00 0.00 66.41 65.88 2wa9 h THR 59 Cb 0.82 2.00 -0.06 0.00 -1.74 0.00 0.00 68.15 69.17 2wa9 h THR 59 CO -0.22 0.56 -0.43 1.56 0.37 0.00 0.00 175.52 177.35 2wa9 h GLN 60 N 0.33 -0.33 -0.86 6.66 7.50 -1.29 0.14 115.11 127.25 2wa9 h GLN 60 Ca -0.02 0.02 0.03 0.00 0.50 0.00 0.00 58.65 59.18 2wa9 h GLN 60 Cb 1.18 0.08 -0.05 0.00 0.05 0.00 0.00 27.48 28.74 2wa9 h GLN 60 CO 0.12 -0.22 0.57 -0.07 -1.50 0.00 0.00 178.83 177.72 2wa9 h LEU 61 N -0.35 0.93 0.39 1.46 4.07 -1.27 -0.57 115.31 119.98 2wa9 h LEU 61 Ca 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2wa9 h LEU 61 Cb 0.48 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2wa9 h LEU 61 CO -0.44 0.64 -0.19 -0.03 -1.08 0.00 0.00 178.44 177.34 2wa9 h MET 62 N 1.07 -0.51 -0.90 1.13 4.05 -0.63 0.11 114.93 119.25 2wa9 h MET 62 Ca 0.34 0.03 0.18 0.00 -0.28 0.00 0.00 59.70 59.98 2wa9 h MET 62 Cb 0.03 0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 30.87 2wa9 h MET 62 CO -0.10 -0.29 0.59 -0.07 0.23 0.00 0.00 176.91 177.27 2wa9 h LEU 63 N -0.62 0.51 -0.11 3.39 -0.00 -0.64 -0.46 115.31 117.38 2wa9 h LEU 63 Ca -0.05 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2wa9 h LEU 63 Cb 0.46 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.06 2wa9 h LEU 63 CO 0.09 0.22 0.04 0.00 -0.00 0.00 0.00 178.44 178.79 2wa9 h ALA 64 N 1.61 0.15 -0.73 1.53 0.00 0.08 0.80 119.26 122.70 2wa9 h ALA 64 Ca 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2wa9 h ALA 64 Cb 1.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2wa9 h ALA 64 CO -0.21 -0.24 0.48 0.28 0.00 0.00 0.00 179.25 179.56 2wa9 h VAL 65 N -0.00 1.19 -0.57 0.00 2.07 0.00 0.25 116.25 119.19 2wa9 h VAL 65 Ca 0.04 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 2wa9 h VAL 65 Cb 0.22 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2wa9 h VAL 65 CO -0.00 0.19 0.09 -0.74 0.02 0.00 0.00 177.57 177.13 2wa9 h HIS 66 N 1.00 1.00 0.00 1.57 6.17 -0.83 -1.79 115.15 122.26 2wa9 h HIS 66 Ca 0.27 -0.14 -0.38 0.00 0.71 0.00 0.00 60.37 60.83 2wa9 h HIS 66 Cb -0.10 -0.27 -0.07 0.00 2.52 0.00 0.00 27.41 29.49 2wa9 h HIS 66 CO -0.02 0.87 -2.44 0.66 0.71 0.00 0.00 177.93 177.72 2wa9 n TYR 67 N -4.34 0.00 0.46 5.26 4.01 0.25 -4.42 117.16 118.39 2wa9 n TYR 67 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 2wa9 n TYR 67 Cb 0.27 -1.00 0.08 0.00 -0.31 0.00 0.00 39.34 38.38 2wa9 n TYR 67 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2wa9 n GLN 68 N -3.03 0.36 -0.07 -0.72 6.02 0.85 -4.97 117.38 115.81 2wa9 n GLN 68 Ca -0.40 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 2wa9 n GLN 68 Cb 1.07 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.64 2wa9 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wa9 n GLY 69 N 1.31 0.57 3.63 1.08 0.00 -0.68 -5.00 105.19 106.11 2wa9 n GLY 69 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2wa9 n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wa9 s LYS 70 N -0.82 0.12 -0.18 1.61 -2.85 -1.22 -1.98 119.74 114.42 2wa9 s LYS 70 Ca 0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 55.97 54.86 2wa9 s LYS 70 Cb 0.00 0.05 0.07 0.00 -2.06 0.00 0.00 37.83 35.89 2wa9 s LYS 70 CO 0.00 -0.05 0.42 0.00 0.10 0.00 0.00 175.35 175.82 2wa9 s ALA 71 N -1.77 -1.11 -0.47 0.59 0.00 -0.65 -4.32 121.76 114.03 2wa9 s ALA 71 Ca 0.10 1.55 -0.28 0.00 0.00 0.00 0.00 51.96 53.33 2wa9 s ALA 71 Cb -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 2wa9 s ALA 71 CO -0.04 -0.42 1.76 0.42 0.00 0.00 0.00 175.76 177.47 2wa9 s ILE 72 N 1.79 3.49 0.03 0.00 1.01 -1.26 -1.62 121.20 124.64 2wa9 s ILE 72 Ca -0.07 0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.76 2wa9 s ILE 72 Cb -0.09 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.32 2wa9 s ILE 72 CO -0.13 -0.71 1.45 0.00 0.00 0.00 0.00 174.94 175.55 2wa9 s GLY 74 N -2.86 -0.45 -0.13 0.00 0.00 -1.19 -5.02 107.32 97.67 2wa9 s GLY 74 Ca -0.15 0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.84 2wa9 s GLY 74 CO 0.68 0.06 -0.22 0.14 0.00 0.00 0.00 173.10 173.76 2wa9 s VAL 75 N -3.80 2.05 0.31 1.40 1.01 -1.26 -0.58 120.40 119.53 2wa9 s VAL 75 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2wa9 s VAL 75 Cb -0.02 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2wa9 s VAL 75 CO -0.07 0.55 0.17 -0.36 0.00 0.00 0.00 175.10 175.39 2wa9 s PHE 76 N 0.70 1.62 0.45 5.22 0.40 -0.20 -4.91 117.98 121.26 2wa9 s PHE 76 Ca -0.10 -1.40 -0.17 0.00 -0.60 0.00 0.00 56.93 54.66 2wa9 s PHE 76 Cb -0.16 -0.85 -0.09 0.00 0.51 0.00 0.00 43.02 42.43 2wa9 s PHE 76 CO 0.01 -0.55 0.92 0.95 0.70 0.00 0.00 175.22 177.24 2wa9 s THR 77 N -3.57 4.54 0.00 0.64 -4.23 -1.26 0.10 115.64 111.86 2wa9 s THR 77 Ca 0.35 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 2wa9 s THR 77 Cb 0.04 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.21 2wa9 s THR 77 CO 0.18 -0.50 0.22 0.00 -0.54 0.00 0.00 174.62 173.99 2wa9 n ALA 78 N -1.12 0.00 -0.07 3.99 0.00 -0.91 -0.94 120.51 121.47 2wa9 n ALA 78 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 2wa9 n ALA 78 Cb 0.54 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 20.09 2wa9 n ALA 78 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2wa9 h GLU 79 N 0.00 -0.01 -0.83 0.00 5.08 -1.94 -0.70 114.58 116.19 2wa9 h GLU 79 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2wa9 h GLU 79 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2wa9 h GLU 79 CO 0.00 -0.00 0.55 0.28 -1.00 0.00 0.00 179.01 178.83 2wa9 h VAL 80 N -0.01 1.17 -0.37 3.13 2.07 -1.77 -2.24 116.25 118.24 2wa9 h VAL 80 Ca 0.13 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 2wa9 h VAL 80 Cb 0.20 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2wa9 h VAL 80 CO -0.28 0.20 -0.18 0.00 0.02 0.00 0.00 177.57 177.33 2wa9 h ALA 81 N 1.50 0.52 0.12 1.67 0.00 0.36 -1.78 119.26 121.66 2wa9 h ALA 81 Ca 0.32 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wa9 h ALA 81 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wa9 h ALA 81 CO -0.08 0.46 -0.15 0.93 0.00 0.00 0.00 179.25 180.40 2wa9 h GLU 82 N 0.57 -0.31 -0.97 0.00 5.08 -1.07 -0.72 114.58 117.17 2wa9 h GLU 82 Ca 0.08 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.61 2wa9 h GLU 82 Cb 0.72 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 2wa9 h GLU 82 CO 0.05 -0.20 0.58 1.15 -1.00 0.00 0.00 179.01 179.59 2wa9 h THR 83 N -0.32 0.81 0.57 1.13 2.02 -1.24 -1.67 112.91 114.21 2wa9 h THR 83 Ca 0.01 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2wa9 h THR 83 Cb 0.32 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2wa9 h THR 83 CO -0.06 0.15 -0.27 0.11 0.37 0.00 0.00 175.52 175.82 2wa9 h LYS 84 N 0.84 -0.74 -0.28 6.66 1.79 -1.07 -1.46 116.57 122.32 2wa9 h LYS 84 Ca 0.51 0.05 0.04 0.00 -2.18 0.00 0.00 60.65 59.07 2wa9 h LYS 84 Cb 0.65 0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 31.40 2wa9 h LYS 84 CO -0.32 -0.43 -0.55 0.28 -1.08 0.00 0.00 179.45 177.35 2wa9 h VAL 85 N -1.07 0.00 -0.69 0.50 2.07 -0.82 0.38 116.25 116.63 2wa9 h VAL 85 Ca -0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.58 2wa9 h VAL 85 Cb 0.65 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2wa9 h VAL 85 CO 0.13 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.18 2wa9 h ALA 86 N -0.18 2.13 -0.11 1.67 0.00 -1.41 0.17 119.26 121.54 2wa9 h ALA 86 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2wa9 h ALA 86 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wa9 h ALA 86 CO -0.52 -0.31 -0.29 1.98 0.00 0.00 0.00 179.25 180.11 2wa9 h MET 87 N 0.37 0.39 -0.37 0.00 -1.53 0.17 -1.44 114.93 112.51 2wa9 h MET 87 Ca 0.33 -0.27 -0.15 0.00 -3.44 0.00 0.00 59.70 56.17 2wa9 h MET 87 Cb 0.79 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.87 2wa9 h MET 87 CO -0.09 0.88 -0.37 0.28 0.14 0.00 0.00 176.91 177.75 2wa9 h VAL 88 N -0.05 1.28 -0.34 -5.77 2.07 0.72 -1.68 116.25 112.48 2wa9 h VAL 88 Ca -0.00 -1.54 -0.12 0.00 0.82 0.00 0.00 66.70 65.85 2wa9 h VAL 88 Cb 0.90 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2wa9 h VAL 88 CO 0.06 0.51 -0.27 0.78 0.02 0.00 0.00 177.57 178.67 2wa9 h ASN 89 N 0.72 0.71 -0.15 0.57 2.35 -0.73 -2.01 115.58 117.03 2wa9 h ASN 89 Ca 0.06 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2wa9 h ASN 89 Cb 0.95 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 2wa9 h ASN 89 CO 0.09 0.95 0.06 0.50 -1.65 0.00 0.00 177.43 177.37 2wa9 h LYS 90 N 0.60 0.22 -0.40 0.81 1.63 -0.90 -2.11 116.57 116.41 2wa9 h LYS 90 Ca 0.08 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 2wa9 h LYS 90 Cb 0.77 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 2wa9 h LYS 90 CO 0.06 0.31 -0.05 -0.92 -3.45 0.00 0.00 179.45 175.40 2wa9 h TYR 91 N 0.08 0.72 -0.15 1.91 3.20 -1.22 -2.05 116.97 119.46 2wa9 h TYR 91 Ca 0.05 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 2wa9 h TYR 91 Cb 0.17 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2wa9 h TYR 91 CO -0.01 0.71 -0.31 0.00 -1.64 0.00 0.00 178.16 176.91 2wa9 h ALA 92 N 1.32 0.24 -0.36 1.82 0.00 -1.23 -2.58 119.26 118.47 2wa9 h ALA 92 Ca 0.12 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 2wa9 h ALA 92 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2wa9 h ALA 92 CO 0.02 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.47 2wa9 h ARG 93 N 0.10 0.59 0.00 0.00 2.47 -1.15 -0.05 114.38 116.35 2wa9 h ARG 93 Ca 0.00 -0.16 -0.11 0.00 -1.26 0.00 0.00 59.98 58.46 2wa9 h ARG 93 Cb 0.90 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 2wa9 h ARG 93 CO 0.07 0.67 -0.51 1.05 0.56 0.00 0.00 179.97 181.81 2wa9 h GLU 94 N 0.55 0.00 -0.55 0.04 4.11 -1.36 -2.13 114.58 115.24 2wa9 h GLU 94 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2wa9 h GLU 94 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2wa9 h GLU 94 CO 0.02 0.51 0.00 0.09 0.07 0.00 0.00 179.01 179.70 2wa9 n ASN 95 N -3.68 3.03 -2.82 3.06 5.03 -0.96 -4.94 115.26 113.99 2wa9 n ASN 95 Ca -0.01 -2.11 -0.20 0.00 0.87 0.00 0.00 54.58 53.13 2wa9 n ASN 95 Cb 0.57 -0.40 0.05 0.00 -1.02 0.00 0.00 39.78 38.98 2wa9 n ASN 95 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2wa9 n GLU 96 N 0.91 -5.28 -4.44 3.52 1.02 -0.39 -5.01 120.64 110.97 2wa9 n GLU 96 Ca 0.18 0.75 -0.30 0.00 -0.02 0.00 0.00 57.16 57.76 2wa9 n GLU 96 Cb 0.52 -5.37 -0.12 0.00 -0.02 0.00 0.00 31.44 26.46 2wa9 n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2wa9 s HIS 97 N -3.16 2.55 -2.03 -0.32 3.76 -0.17 -5.02 115.29 110.91 2wa9 s HIS 97 Ca 0.36 -0.25 0.11 0.00 -0.15 0.00 0.00 55.06 55.13 2wa9 s HIS 97 Cb -0.16 -1.40 0.59 0.00 1.11 0.00 0.00 32.58 32.72 2wa9 s HIS 97 CO 0.45 0.34 1.39 -0.35 -0.85 0.00 0.00 174.74 175.71 2wa9 n PRO 98 N 1.09 1.15 -1.69 8.40 -0.04 -1.26 -4.04 135.00 138.61 2wa9 n PRO 98 Ca -0.16 -0.23 -0.55 0.00 -0.04 0.00 0.00 63.50 62.51 2wa9 n PRO 98 Cb 0.52 -1.19 -0.07 0.00 -0.04 0.00 0.00 33.50 32.72 2wa9 n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2wa9 n LEU 99 N -0.44 2.48 -4.66 1.53 7.94 -1.26 -4.92 117.00 117.66 2wa9 n LEU 99 Ca 0.09 1.06 -0.36 0.00 -1.11 0.00 0.00 56.01 55.70 2wa9 n LEU 99 Cb 0.09 -1.18 -0.09 0.00 0.53 0.00 0.00 43.42 42.76 2wa9 n LEU 99 CO 0.07 -0.43 -0.20 -0.22 -1.11 0.00 0.00 177.39 175.49 2wa9 s LEU 100 N 3.27 4.03 -0.08 -1.96 1.98 -1.26 -4.85 118.68 119.81 2wa9 s LEU 100 Ca 0.96 0.11 0.05 0.00 -2.89 0.00 0.00 54.13 52.36 2wa9 s LEU 100 Cb -1.00 -2.06 -0.00 0.00 0.66 0.00 0.00 46.19 43.79 2wa9 s LEU 100 CO 0.61 0.11 -0.24 0.00 -1.89 0.00 0.00 176.35 174.94 2wa9 s THR 102 N 0.16 0.49 0.38 0.00 -1.32 0.63 -4.90 115.64 111.07 2wa9 s THR 102 Ca -0.13 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.43 2wa9 s THR 102 Cb -0.16 -2.60 -0.06 0.00 -1.51 0.00 0.00 72.50 68.16 2wa9 s THR 102 CO 0.07 0.00 0.04 -0.76 -2.21 0.00 0.00 174.62 171.76 2wa9 s LEU 103 N -3.32 2.95 0.00 9.08 1.43 -1.26 -1.45 118.68 126.11 2wa9 s LEU 103 Ca 0.37 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2wa9 s LEU 103 Cb 0.07 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2wa9 s LEU 103 CO 0.14 -0.37 0.00 -1.84 0.23 0.00 0.00 176.35 174.51 2wa9 n GLU 104 N -1.01 0.00 0.00 1.70 0.28 -1.24 -4.97 120.64 115.40 2wa9 n GLU 104 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2wa9 n GLU 104 Cb 0.64 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.51 2wa9 n GLU 104 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2wa9 n LYS 105 N 0.00 0.00 0.00 3.44 3.00 -1.26 -2.27 118.16 121.07 2wa9 n LYS 105 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wa9 n LYS 105 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2wa9 n LYS 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wa9 n ALA 106 N -0.03 0.00 -0.50 3.14 0.00 -1.26 0.16 120.51 122.02 2wa9 n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wa9 n ALA 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wa9 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wa9 n GLY 107 N 0.00 1.34 0.00 0.00 0.00 -1.26 -5.01 105.19 100.26 2wa9 n GLY 107 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.47 2wa9 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32