#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa9 n PRO 24 N 0.00 3.02 -3.11 1.97 -0.04 -1.26 -5.12 135.00 130.46 2wa9 n PRO 24 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2wa9 n PRO 24 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 2wa9 n PRO 24 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2wa9 s PRO 25 N 4.95 4.33 -0.26 0.54 0.02 -1.26 -5.07 135.00 138.25 2wa9 s PRO 25 Ca 0.00 0.92 -0.24 0.00 0.02 0.00 0.00 61.00 61.69 2wa9 s PRO 25 Cb 0.00 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.44 2wa9 s PRO 25 CO 0.00 0.51 0.82 -1.12 -0.33 0.00 0.00 177.00 176.88 2wa9 s SER 26 N -1.38 6.80 0.13 2.53 0.01 -1.26 -5.06 113.70 115.46 2wa9 s SER 26 Ca 0.38 0.97 -0.18 0.00 1.31 0.00 0.00 55.95 58.42 2wa9 s SER 26 Cb -0.19 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 63.54 2wa9 s SER 26 CO 0.22 -0.54 0.60 -0.04 0.41 0.00 0.00 173.24 173.89 2wa9 s MET 27 N 2.87 4.15 -0.08 12.44 -1.94 -1.26 -2.07 119.30 133.41 2wa9 s MET 27 Ca 0.34 0.70 0.01 0.00 -1.71 0.00 0.00 55.69 55.03 2wa9 s MET 27 Cb -0.15 -3.07 0.02 0.00 2.01 0.00 0.00 34.83 33.64 2wa9 s MET 27 CO 0.08 0.54 -0.08 0.71 -0.01 0.00 0.00 175.02 176.26 2wa9 s TYR 28 N -1.31 1.33 0.06 -0.03 1.51 0.28 -2.30 117.35 116.88 2wa9 s TYR 28 Ca 0.35 -0.56 -0.31 0.00 -1.01 0.00 0.00 57.07 55.54 2wa9 s TYR 28 Cb -0.18 -1.07 -0.07 0.00 -0.11 0.00 0.00 41.96 40.54 2wa9 s TYR 28 CO 0.20 -0.37 1.39 0.15 -1.11 0.00 0.00 175.55 175.80 2wa9 s LYS 29 N 1.22 4.31 -0.41 -0.62 1.02 -1.03 -1.14 119.74 123.09 2wa9 s LYS 29 Ca -0.05 2.01 -0.15 0.00 0.02 0.00 0.00 55.97 57.81 2wa9 s LYS 29 Cb -0.14 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 2wa9 s LYS 29 CO -0.02 -0.49 0.30 0.08 -0.92 0.00 0.00 175.35 174.30 2wa9 s VAL 30 N 1.71 5.21 0.04 3.17 1.01 0.74 -3.13 120.40 129.15 2wa9 s VAL 30 Ca 0.64 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.97 2wa9 s VAL 30 Cb -0.34 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2wa9 s VAL 30 CO 0.29 -0.32 -0.08 -0.63 0.00 0.00 0.00 175.10 174.35 2wa9 s ILE 31 N 1.67 3.53 -0.13 2.22 1.01 -0.51 -0.65 121.20 128.34 2wa9 s ILE 31 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2wa9 s ILE 31 Cb -0.19 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 2wa9 s ILE 31 CO 0.10 0.29 -0.19 -0.22 0.00 0.00 0.00 174.94 174.92 2wa9 s LEU 32 N -1.72 2.37 -0.09 2.97 2.96 -0.57 -0.22 118.68 124.38 2wa9 s LEU 32 Ca 0.19 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2wa9 s LEU 32 Cb -0.11 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2wa9 s LEU 32 CO 0.10 0.14 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.48 2wa9 s VAL 33 N 0.51 3.43 0.41 1.68 1.01 -0.22 -1.53 120.40 125.69 2wa9 s VAL 33 Ca -0.12 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 2wa9 s VAL 33 Cb -0.16 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 2wa9 s VAL 33 CO 0.05 0.56 1.10 0.21 0.00 0.00 0.00 175.10 177.02 2wa9 s ASN 34 N -0.35 6.62 -0.03 3.32 2.47 -0.67 -4.11 114.94 122.19 2wa9 s ASN 34 Ca 0.04 2.16 -0.17 0.00 0.42 0.00 0.00 52.86 55.31 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 -0.60 0.38 1.51 -3.72 0.00 0.00 177.10 174.69 2wa9 s ASP 35 N -1.42 -0.28 0.00 -4.21 1.47 -1.26 -4.98 116.67 105.99 2wa9 s ASP 35 Ca 0.58 0.23 0.06 0.00 1.18 0.00 0.00 52.55 54.60 2wa9 s ASP 35 Cb -0.25 0.38 0.33 0.00 -0.34 0.00 0.00 42.92 43.04 2wa9 s ASP 35 CO 0.32 -0.46 0.77 0.47 0.68 0.00 0.00 175.17 176.95 2wa9 n ASP 36 N 1.31 0.00 0.00 2.11 8.00 -1.26 -3.87 116.55 122.84 2wa9 n ASP 36 Ca -0.21 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.56 2wa9 n ASP 36 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.69 0.00 -2.10 1.24 4.01 -1.26 -4.99 117.16 113.37 2wa9 n TYR 37 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 2wa9 n TYR 37 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.85 3.72 0.53 -0.72 2.01 -1.25 -4.97 115.64 113.11 2wa9 s THR 38 Ca 0.00 0.89 -0.20 0.00 0.31 0.00 0.00 61.69 62.70 2wa9 s THR 38 Cb 0.00 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.85 2wa9 s THR 38 CO 0.00 -0.07 0.69 -2.65 -0.69 0.00 0.00 174.62 171.90 2wa9 n PRO 39 N 6.90 0.72 0.00 4.92 -0.02 -1.26 -4.91 135.00 141.36 2wa9 n PRO 39 Ca 0.16 0.27 -0.05 0.00 -2.02 0.00 0.00 63.50 61.86 2wa9 n PRO 39 Cb 0.43 -1.82 0.15 0.00 -0.02 0.00 0.00 33.50 32.24 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 0.57 0.52 -0.81 -0.52 2.86 -2.00 -2.79 114.93 112.76 2wa9 h MET 40 Ca -0.45 -0.24 0.08 0.00 -2.06 0.00 0.00 59.70 57.03 2wa9 h MET 40 Cb 1.38 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.97 2wa9 h MET 40 CO 0.50 0.79 0.48 0.93 1.06 0.00 0.00 176.91 180.67 2wa9 h GLU 41 N 0.44 0.81 -0.46 1.72 4.39 -1.99 -1.46 114.58 118.03 2wa9 h GLU 41 Ca 0.05 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2wa9 h GLU 41 Cb 0.81 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2wa9 h GLU 41 CO 0.07 0.53 0.03 0.35 -1.16 0.00 0.00 179.01 178.83 2wa9 h PHE 42 N 0.83 0.85 -0.82 4.33 3.57 -1.87 0.44 116.94 124.27 2wa9 h PHE 42 Ca 0.38 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.75 2wa9 h PHE 42 Cb 0.28 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2wa9 h PHE 42 CO -0.05 0.82 0.54 0.28 -2.23 0.00 0.00 178.31 177.67 2wa9 h VAL 43 N 0.64 1.21 -0.68 1.41 2.07 -1.26 0.66 116.25 120.30 2wa9 h VAL 43 Ca 0.13 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2wa9 h VAL 43 Cb 0.46 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2wa9 h VAL 43 CO 0.02 0.20 0.29 0.40 0.02 0.00 0.00 177.57 178.50 2wa9 h ILE 44 N 1.11 1.24 0.12 4.57 2.04 -0.27 -0.29 117.51 126.02 2wa9 h ILE 44 Ca 0.30 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.47 2wa9 h ILE 44 Cb -0.13 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 2wa9 h ILE 44 CO -0.07 0.29 -0.33 -0.78 0.00 0.00 0.00 178.15 177.26 2wa9 h ASP 45 N 0.95 -0.95 -0.50 1.72 3.58 0.91 -1.64 116.42 120.49 2wa9 h ASP 45 Ca 0.23 0.11 0.10 0.00 0.42 0.00 0.00 57.03 57.89 2wa9 h ASP 45 Cb 0.17 0.36 -0.10 0.00 1.72 0.00 0.00 39.33 41.49 2wa9 h ASP 45 CO -0.02 -0.41 -0.13 0.58 -2.88 0.00 0.00 179.24 176.38 2wa9 h VAL 46 N -0.55 0.50 -0.47 2.25 2.07 -0.73 0.05 116.25 119.37 2wa9 h VAL 46 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2wa9 h VAL 46 Cb 0.58 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2wa9 h VAL 46 CO -0.19 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.41 2wa9 h LEU 47 N -0.00 0.66 -0.13 2.57 3.38 -0.63 -1.48 115.31 119.68 2wa9 h LEU 47 Ca 0.24 -0.12 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 2wa9 h LEU 47 Cb 0.37 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wa9 h LEU 47 CO -0.52 0.68 -0.99 1.56 0.09 0.00 0.00 178.44 179.26 2wa9 h GLN 48 N 0.69 0.37 0.18 1.13 4.20 -0.92 -2.77 115.11 117.98 2wa9 h GLN 48 Ca 0.15 -0.43 -0.30 0.00 0.06 0.00 0.00 58.65 58.14 2wa9 h GLN 48 Cb 0.30 0.13 0.02 0.00 0.30 0.00 0.00 27.48 28.22 2wa9 h GLN 48 CO 0.00 1.11 -1.34 -0.22 -0.67 0.00 0.00 178.83 177.71 2wa9 h LYS 49 N 0.19 0.37 -0.00 1.46 3.64 -0.69 -3.08 116.57 118.47 2wa9 h LYS 49 Ca -0.09 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 2wa9 h LYS 49 Cb 1.64 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2wa9 h LYS 49 CO 0.17 1.30 -0.16 1.19 -2.27 0.00 0.00 179.45 179.68 2wa9 n PHE 50 N -3.60 0.00 -0.10 1.91 3.72 -0.58 -4.63 117.46 114.18 2wa9 n PHE 50 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2wa9 n PHE 50 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 -0.57 0.00 -1.89 1.38 3.01 -1.06 -5.02 117.46 113.31 2wa9 n PHE 51 Ca 0.02 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.29 2wa9 n PHE 51 Cb 0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 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 -0.38 -5.24 -4.76 4.37 7.64 -1.11 -4.97 113.62 109.16 2wa9 n SER 52 Ca 0.00 0.30 -0.36 0.00 1.01 0.00 0.00 58.87 59.82 2wa9 n SER 52 Cb 0.03 -4.55 0.02 0.00 -1.01 0.00 0.00 64.21 58.70 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 -2.76 2.50 0.71 1.43 2.02 -1.13 -4.99 117.35 115.14 2wa9 s TYR 53 Ca 0.00 1.52 -0.10 0.00 -0.37 0.00 0.00 57.07 58.12 2wa9 s TYR 53 Cb 0.00 -3.42 0.03 0.00 -0.40 0.00 0.00 41.96 38.17 2wa9 s TYR 53 CO 0.00 -1.99 1.08 0.16 -1.57 0.00 0.00 175.55 173.23 2wa9 s ASP 54 N -1.62 5.26 0.34 2.29 -4.77 -1.26 -4.37 116.67 112.53 2wa9 s ASP 54 Ca 0.75 0.96 0.10 0.00 -3.30 0.00 0.00 52.55 51.06 2wa9 s ASP 54 Cb -0.28 -1.72 0.84 0.00 -1.09 0.00 0.00 42.92 40.67 2wa9 s ASP 54 CO 0.31 -1.42 1.81 0.58 0.70 0.00 0.00 175.17 177.16 2wa9 h VAL 55 N -0.65 0.72 0.76 2.11 2.07 -1.97 -1.41 116.25 117.88 2wa9 h VAL 55 Ca -0.45 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 2wa9 h VAL 55 Cb 1.27 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2wa9 h VAL 55 CO 0.64 0.12 -0.36 -0.33 0.02 0.00 0.00 177.57 177.65 2wa9 h GLU 56 N 0.66 -0.98 -0.62 1.57 5.08 -2.01 -2.48 114.58 115.79 2wa9 h GLU 56 Ca 0.53 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 59.03 2wa9 h GLU 56 Cb 0.95 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 2wa9 h GLU 56 CO -0.29 -0.65 0.31 0.00 -1.00 0.00 0.00 179.01 177.37 2wa9 h ARG 57 N -1.23 0.54 -1.07 2.33 2.47 -1.88 -1.67 114.38 113.87 2wa9 h ARG 57 Ca -0.10 -0.03 0.29 0.00 -1.26 0.00 0.00 59.98 58.87 2wa9 h ARG 57 Cb 0.78 -0.12 -0.11 0.00 -1.65 0.00 0.00 29.97 28.87 2wa9 h ARG 57 CO 0.17 0.36 0.67 0.00 0.56 0.00 0.00 179.97 181.73 2wa9 h ALA 58 N 1.36 2.21 -0.17 0.04 0.00 -1.20 -1.15 119.26 120.36 2wa9 h ALA 58 Ca 0.29 0.08 -0.22 0.00 0.00 0.00 0.00 54.91 55.07 2wa9 h ALA 58 Cb 0.26 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wa9 h ALA 58 CO -0.23 -0.66 -0.75 1.15 0.00 0.00 0.00 179.25 178.76 2wa9 h THR 59 N 0.38 1.28 0.20 0.00 2.02 -0.82 -0.14 112.91 115.82 2wa9 h THR 59 Ca 0.64 -1.94 0.01 0.00 0.77 0.00 0.00 66.41 65.88 2wa9 h THR 59 Cb 1.60 1.95 -0.04 0.00 -1.74 0.00 0.00 68.15 69.92 2wa9 h THR 59 CO -0.36 0.62 -0.49 1.56 0.37 0.00 0.00 175.52 177.22 2wa9 h GLN 60 N 0.55 -0.75 -0.96 6.66 7.50 -1.16 0.19 115.11 127.13 2wa9 h GLN 60 Ca -0.05 0.05 0.02 0.00 0.50 0.00 0.00 58.65 59.18 2wa9 h GLN 60 Cb 1.38 0.17 -0.05 0.00 0.05 0.00 0.00 27.48 29.03 2wa9 h GLN 60 CO 0.16 -0.50 0.63 -0.07 -1.50 0.00 0.00 178.83 177.55 2wa9 h LEU 61 N -0.78 1.08 0.57 1.46 4.07 -1.35 0.31 115.31 120.66 2wa9 h LEU 61 Ca -0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 2wa9 h LEU 61 Cb 0.76 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 42.25 2wa9 h LEU 61 CO -0.23 0.76 -0.27 -0.03 -1.08 0.00 0.00 178.44 177.58 2wa9 h MET 62 N 1.26 -0.74 -1.00 1.13 4.05 -0.50 0.14 114.93 119.27 2wa9 h MET 62 Ca 0.37 0.05 0.18 0.00 -0.28 0.00 0.00 59.70 60.02 2wa9 h MET 62 Cb -0.07 0.17 -0.10 0.00 -0.80 0.00 0.00 31.60 30.79 2wa9 h MET 62 CO -0.10 -0.49 0.61 -0.07 0.23 0.00 0.00 176.91 177.10 2wa9 h LEU 63 N -0.77 0.79 0.06 3.39 -0.00 -0.66 0.60 115.31 118.72 2wa9 h LEU 63 Ca -0.08 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2wa9 h LEU 63 Cb 0.59 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2wa9 h LEU 63 CO 0.13 0.29 -0.06 0.00 -0.00 0.00 0.00 178.44 178.80 2wa9 h ALA 64 N 1.64 -0.12 -0.46 1.53 0.00 -0.21 0.30 119.26 121.93 2wa9 h ALA 64 Ca 0.57 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.51 2wa9 h ALA 64 Cb 0.87 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2wa9 h ALA 64 CO -0.37 -0.58 0.21 0.28 0.00 0.00 0.00 179.25 178.80 2wa9 h VAL 65 N -0.14 0.93 -0.67 0.00 2.07 -0.00 0.96 116.25 119.40 2wa9 h VAL 65 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2wa9 h VAL 65 Cb 0.14 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wa9 h VAL 65 CO -0.02 0.08 0.42 -0.74 0.02 0.00 0.00 177.57 177.33 2wa9 h HIS 66 N 0.43 0.86 0.00 1.57 6.17 -0.44 -1.87 115.15 121.87 2wa9 h HIS 66 Ca 0.21 0.01 -0.35 0.00 0.71 0.00 0.00 60.37 60.94 2wa9 h HIS 66 Cb 0.14 -0.29 -0.07 0.00 2.52 0.00 0.00 27.41 29.72 2wa9 h HIS 66 CO -0.12 0.57 -2.33 0.66 0.71 0.00 0.00 177.93 177.42 2wa9 n TYR 67 N -4.59 0.00 0.32 5.26 4.01 0.10 -4.41 117.16 117.85 2wa9 n TYR 67 Ca 0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.91 2wa9 n TYR 67 Cb 0.04 -0.95 0.04 0.00 -0.31 0.00 0.00 39.34 38.17 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 -2.82 0.45 -0.02 -0.72 6.02 0.32 -4.97 117.38 115.65 2wa9 n GLN 68 Ca -0.34 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 2wa9 n GLN 68 Cb 1.09 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.63 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 1.27 0.52 3.59 1.08 0.00 -0.71 -5.00 105.19 105.94 2wa9 n GLY 69 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.83 0.35 -0.18 1.61 -2.85 -1.21 -1.66 119.74 114.97 2wa9 s LYS 70 Ca 0.00 -0.13 -0.10 0.00 -1.00 0.00 0.00 55.97 54.74 2wa9 s LYS 70 Cb 0.00 0.16 0.06 0.00 -2.06 0.00 0.00 37.83 35.99 2wa9 s LYS 70 CO 0.00 -0.15 0.45 0.00 0.10 0.00 0.00 175.35 175.74 2wa9 s ALA 71 N -2.47 -1.16 -0.49 0.59 0.00 -0.58 -4.15 121.76 113.50 2wa9 s ALA 71 Ca 0.09 1.65 -0.28 0.00 0.00 0.00 0.00 51.96 53.42 2wa9 s ALA 71 Cb -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2wa9 s ALA 71 CO -0.05 -0.29 1.66 0.42 0.00 0.00 0.00 175.76 177.51 2wa9 s ILE 72 N 1.46 3.58 0.01 0.00 1.01 -1.26 -1.51 121.20 124.48 2wa9 s ILE 72 Ca -0.09 0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.81 2wa9 s ILE 72 Cb -0.08 -4.02 -0.18 0.00 0.01 0.00 0.00 42.46 38.19 2wa9 s ILE 72 CO -0.14 -0.82 1.32 0.00 0.00 0.00 0.00 174.94 175.31 2wa9 s GLY 74 N -2.82 0.07 -0.16 0.00 0.00 -1.17 -5.02 107.32 98.22 2wa9 s GLY 74 Ca -0.15 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2wa9 s GLY 74 CO 0.61 -0.50 -0.18 0.14 0.00 0.00 0.00 173.10 173.17 2wa9 s VAL 75 N -3.89 1.87 0.33 1.40 1.01 -1.26 -0.19 120.40 119.67 2wa9 s VAL 75 Ca 0.10 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2wa9 s VAL 75 Cb 0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2wa9 s VAL 75 CO -0.04 0.51 0.09 -0.36 0.00 0.00 0.00 175.10 175.30 2wa9 s PHE 76 N 1.23 1.80 0.58 5.22 0.40 -0.30 -4.89 117.98 122.02 2wa9 s PHE 76 Ca 0.02 -1.12 -0.14 0.00 -0.60 0.00 0.00 56.93 55.08 2wa9 s PHE 76 Cb -0.14 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.21 2wa9 s PHE 76 CO -0.09 -0.19 1.02 0.95 0.70 0.00 0.00 175.22 177.61 2wa9 s THR 77 N -3.40 4.40 0.03 0.64 -4.23 -1.26 0.99 115.64 112.82 2wa9 s THR 77 Ca 0.33 0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 61.77 2wa9 s THR 77 Cb 0.07 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 2wa9 s THR 77 CO 0.15 -0.82 0.71 0.00 -0.54 0.00 0.00 174.62 174.13 2wa9 n ALA 78 N -2.19 -0.12 -0.16 3.99 0.00 -0.88 -0.62 120.51 120.52 2wa9 n ALA 78 Ca 0.07 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 2wa9 n ALA 78 Cb 0.54 0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.21 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 0.56 -0.85 0.00 5.08 -1.94 -1.61 114.58 115.82 2wa9 h GLU 79 Ca 0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2wa9 h GLU 79 Cb 0.08 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2wa9 h GLU 79 CO -0.18 0.37 0.48 0.28 -1.00 0.00 0.00 179.01 178.97 2wa9 h VAL 80 N 0.58 1.25 -0.52 3.13 2.07 -1.80 -2.24 116.25 118.71 2wa9 h VAL 80 Ca 0.20 -0.58 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 2wa9 h VAL 80 Cb 0.03 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2wa9 h VAL 80 CO -0.10 0.27 -0.10 0.00 0.02 0.00 0.00 177.57 177.67 2wa9 h ALA 81 N 1.26 0.84 0.52 1.67 0.00 -0.15 -1.55 119.26 121.85 2wa9 h ALA 81 Ca 0.30 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2wa9 h ALA 81 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wa9 h ALA 81 CO -0.05 0.65 -0.25 0.93 0.00 0.00 0.00 179.25 180.53 2wa9 h GLU 82 N 0.86 -0.67 -0.91 0.00 5.08 -1.20 -0.19 114.58 117.56 2wa9 h GLU 82 Ca 0.14 0.05 0.24 0.00 -1.00 0.00 0.00 59.36 58.79 2wa9 h GLU 82 Cb 0.64 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 29.91 2wa9 h GLU 82 CO 0.04 -0.43 0.36 1.15 -1.00 0.00 0.00 179.01 179.14 2wa9 h THR 83 N -0.74 0.39 0.63 1.13 2.02 -1.27 -0.94 112.91 114.14 2wa9 h THR 83 Ca -0.07 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2wa9 h THR 83 Cb 0.55 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2wa9 h THR 83 CO 0.12 0.06 -0.30 0.11 0.37 0.00 0.00 175.52 175.87 2wa9 h LYS 84 N 0.32 -0.82 -0.49 6.66 1.79 -0.90 -1.30 116.57 121.84 2wa9 h LYS 84 Ca 0.58 0.06 0.05 0.00 -2.18 0.00 0.00 60.65 59.16 2wa9 h LYS 84 Cb 1.17 0.19 -0.08 0.00 -1.58 0.00 0.00 32.23 31.92 2wa9 h LYS 84 CO -0.58 -0.51 -0.53 0.28 -1.08 0.00 0.00 179.45 177.02 2wa9 h VAL 85 N -1.15 0.00 -0.61 0.50 2.07 -0.60 0.33 116.25 116.79 2wa9 h VAL 85 Ca -0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 2wa9 h VAL 85 Cb 0.68 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2wa9 h VAL 85 CO 0.14 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.15 2wa9 h ALA 86 N -0.02 2.12 -0.02 1.67 0.00 -1.24 0.75 119.26 122.52 2wa9 h ALA 86 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wa9 h ALA 86 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wa9 h ALA 86 CO -0.62 -0.28 -0.04 1.98 0.00 0.00 0.00 179.25 180.29 2wa9 h MET 87 N 0.33 0.07 -0.32 0.00 -1.53 0.31 -1.24 114.93 112.54 2wa9 h MET 87 Ca 0.29 -0.04 -0.08 0.00 -3.44 0.00 0.00 59.70 56.43 2wa9 h MET 87 Cb 0.69 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.73 2wa9 h MET 87 CO -0.07 0.61 -0.12 0.28 0.14 0.00 0.00 176.91 177.75 2wa9 h VAL 88 N -0.47 1.24 -0.07 -5.77 2.07 0.51 -0.73 116.25 113.03 2wa9 h VAL 88 Ca 0.00 -1.05 -0.21 0.00 0.82 0.00 0.00 66.70 66.26 2wa9 h VAL 88 Cb 0.60 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2wa9 h VAL 88 CO 0.01 0.35 -0.83 0.78 0.02 0.00 0.00 177.57 177.90 2wa9 h ASN 89 N 0.51 0.67 0.06 0.57 2.35 -0.91 -2.46 115.58 116.37 2wa9 h ASN 89 Ca 0.09 -0.48 -0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2wa9 h ASN 89 Cb 0.51 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2wa9 h ASN 89 CO 0.03 1.25 -0.03 0.50 -1.65 0.00 0.00 177.43 177.53 2wa9 h LYS 90 N 0.35 -0.08 -0.42 0.81 1.63 -0.60 -1.64 116.57 116.63 2wa9 h LYS 90 Ca -0.06 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2wa9 h LYS 90 Cb 1.44 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 33.07 2wa9 h LYS 90 CO 0.15 -0.00 0.21 -0.92 -3.45 0.00 0.00 179.45 175.44 2wa9 h TYR 91 N -0.14 0.56 -0.16 1.91 3.20 -1.19 -2.05 116.97 119.09 2wa9 h TYR 91 Ca -0.01 -0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.64 2wa9 h TYR 91 Cb 0.12 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.21 2wa9 h TYR 91 CO -0.06 0.41 -0.75 0.00 -1.64 0.00 0.00 178.16 176.13 2wa9 h ALA 92 N 1.65 0.36 -0.24 1.82 0.00 -1.20 -2.67 119.26 118.98 2wa9 h ALA 92 Ca 0.15 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 2wa9 h ALA 92 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wa9 h ALA 92 CO -0.02 0.69 -0.44 0.00 0.00 0.00 0.00 179.25 179.47 2wa9 h ARG 93 N 0.53 0.61 0.00 0.00 2.47 -0.86 0.42 114.38 117.55 2wa9 h ARG 93 Ca -0.04 -0.33 -0.11 0.00 -1.26 0.00 0.00 59.98 58.24 2wa9 h ARG 93 Cb 1.37 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.69 2wa9 h ARG 93 CO 0.15 0.93 -0.52 1.05 0.56 0.00 0.00 179.97 182.14 2wa9 h GLU 94 N 0.49 0.00 -0.60 0.04 4.11 -1.40 -1.98 114.58 115.23 2wa9 h GLU 94 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2wa9 h GLU 94 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2wa9 h GLU 94 CO 0.09 0.52 0.00 0.09 0.07 0.00 0.00 179.01 179.78 2wa9 n ASN 95 N -3.74 3.11 -3.18 3.06 5.03 -1.01 -4.92 115.26 113.60 2wa9 n ASN 95 Ca -0.01 -2.28 -0.23 0.00 0.87 0.00 0.00 54.58 52.93 2wa9 n ASN 95 Cb 0.57 -0.46 0.03 0.00 -1.02 0.00 0.00 39.78 38.90 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 0.58 -4.95 -4.39 3.52 1.02 -0.66 -4.99 120.64 110.76 2wa9 n GLU 96 Ca 0.16 0.81 -0.30 0.00 -0.02 0.00 0.00 57.16 57.80 2wa9 n GLU 96 Cb 0.60 -5.67 -0.11 0.00 -0.02 0.00 0.00 31.44 26.24 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 -3.15 2.71 -2.03 -0.32 3.76 0.05 -5.02 115.29 111.28 2wa9 s HIS 97 Ca 0.36 -0.17 0.08 0.00 -0.15 0.00 0.00 55.06 55.19 2wa9 s HIS 97 Cb -0.17 -1.47 0.36 0.00 1.11 0.00 0.00 32.58 32.42 2wa9 s HIS 97 CO 0.45 0.37 1.26 -0.35 -0.85 0.00 0.00 174.74 175.61 2wa9 n PRO 98 N 1.11 1.29 -1.69 8.40 -0.04 -1.26 -4.10 135.00 138.70 2wa9 n PRO 98 Ca -0.15 -0.45 -0.51 0.00 -0.04 0.00 0.00 63.50 62.35 2wa9 n PRO 98 Cb 0.52 -1.17 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.19 3.08 -4.69 1.53 7.94 -1.26 -4.93 117.00 118.48 2wa9 n LEU 99 Ca 0.07 1.01 -0.36 0.00 -1.11 0.00 0.00 56.01 55.62 2wa9 n LEU 99 Cb 0.13 -1.30 -0.09 0.00 0.53 0.00 0.00 43.42 42.69 2wa9 n LEU 99 CO 0.05 -0.19 -0.17 -0.22 -1.11 0.00 0.00 177.39 175.75 2wa9 s LEU 100 N 3.75 4.15 -0.12 -1.96 1.98 -1.26 -4.84 118.68 120.39 2wa9 s LEU 100 Ca 0.94 0.17 0.03 0.00 -2.89 0.00 0.00 54.13 52.38 2wa9 s LEU 100 Cb -0.81 -2.11 0.00 0.00 0.66 0.00 0.00 46.19 43.93 2wa9 s LEU 100 CO 0.56 0.11 -0.22 0.00 -1.89 0.00 0.00 176.35 174.90 2wa9 s THR 102 N 0.50 0.57 0.22 0.00 -1.32 0.69 -4.88 115.64 111.42 2wa9 s THR 102 Ca -0.14 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 58.45 2wa9 s THR 102 Cb -0.17 -2.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.30 2wa9 s THR 102 CO 0.05 0.00 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.52 2wa9 s LEU 103 N -3.50 2.64 -0.24 9.08 1.43 -1.26 -1.42 118.68 125.40 2wa9 s LEU 103 Ca 0.30 -0.84 -0.17 0.00 -1.03 0.00 0.00 54.13 52.38 2wa9 s LEU 103 Cb 0.04 -1.28 0.07 0.00 0.03 0.00 0.00 46.19 45.05 2wa9 s LEU 103 CO 0.16 0.08 0.61 -0.70 0.23 0.00 0.00 176.35 176.74 2wa9 s GLU 104 N -3.02 0.66 0.07 1.70 2.12 -1.18 -4.96 118.70 114.08 2wa9 s GLU 104 Ca 0.25 0.99 -0.35 0.00 0.36 0.00 0.00 54.97 56.23 2wa9 s GLU 104 Cb -0.07 0.21 -0.14 0.00 0.26 0.00 0.00 34.13 34.39 2wa9 s GLU 104 CO 0.13 -0.12 1.61 1.17 -0.54 0.00 0.00 175.26 177.51 2wa9 n LYS 105 N 3.62 1.94 -0.01 4.30 4.81 -1.26 -2.47 118.16 129.09 2wa9 n LYS 105 Ca -0.18 0.70 -0.05 0.00 -0.87 0.00 0.00 58.31 57.92 2wa9 n LYS 105 Cb 0.57 -2.46 -0.12 0.00 0.02 0.00 0.00 35.03 33.03 2wa9 n LYS 105 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wa9 n ALA 106 N 4.07 1.70 0.00 3.14 0.00 -0.97 -4.83 120.51 123.62 2wa9 n ALA 106 Ca 0.19 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2wa9 n ALA 106 Cb 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 1.51 0.00 0.24 0.00 0.00 -1.26 -4.98 105.19 100.69 2wa9 n GLY 107 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.89 2wa9 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32