#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa9 n PRO 25 N 0.00 1.18 -3.91 0.52 -0.02 -1.26 -4.98 135.00 126.53 2wa9 n PRO 25 Ca 0.00 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 2wa9 n PRO 25 Cb 0.00 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.26 2wa9 n PRO 25 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wa9 s SER 26 N 0.53 4.28 0.27 2.55 0.01 -1.26 -5.09 113.70 114.99 2wa9 s SER 26 Ca 0.84 -0.46 -0.23 0.00 1.31 0.00 0.00 55.95 57.41 2wa9 s SER 26 Cb -0.95 -1.73 -0.09 0.00 0.21 0.00 0.00 66.02 63.47 2wa9 s SER 26 CO 0.47 -0.04 0.84 -0.04 0.41 0.00 0.00 173.24 174.88 2wa9 s MET 27 N 1.46 4.44 -0.09 12.44 -1.94 -1.26 -1.84 119.30 132.52 2wa9 s MET 27 Ca 0.05 1.12 -0.00 0.00 -1.71 0.00 0.00 55.69 55.15 2wa9 s MET 27 Cb -0.15 -2.85 0.02 0.00 2.01 0.00 0.00 34.83 33.87 2wa9 s MET 27 CO -0.04 0.34 -0.05 0.71 -0.01 0.00 0.00 175.02 175.98 2wa9 s TYR 28 N -1.56 1.10 0.14 -0.03 1.51 0.33 -4.14 117.35 114.71 2wa9 s TYR 28 Ca 0.46 -0.45 -0.31 0.00 -1.01 0.00 0.00 57.07 55.76 2wa9 s TYR 28 Cb -0.18 -0.99 -0.10 0.00 -0.11 0.00 0.00 41.96 40.58 2wa9 s TYR 28 CO 0.23 -0.39 1.63 0.15 -1.11 0.00 0.00 175.55 176.05 2wa9 s LYS 29 N 1.63 4.19 -0.39 -0.62 1.02 -1.24 -1.50 119.74 122.84 2wa9 s LYS 29 Ca 0.02 2.40 -0.13 0.00 0.02 0.00 0.00 55.97 58.28 2wa9 s LYS 29 Cb -0.13 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 2wa9 s LYS 29 CO -0.05 -0.67 0.26 0.08 -0.92 0.00 0.00 175.35 174.04 2wa9 s VAL 30 N 1.61 4.99 -0.03 3.17 1.01 0.79 -2.61 120.40 129.33 2wa9 s VAL 30 Ca 0.72 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2wa9 s VAL 30 Cb -0.44 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2wa9 s VAL 30 CO 0.32 -0.25 -0.10 -0.63 0.00 0.00 0.00 175.10 174.44 2wa9 s ILE 31 N 1.63 3.43 -0.20 2.22 1.01 -0.36 -0.12 121.20 128.82 2wa9 s ILE 31 Ca 0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2wa9 s ILE 31 Cb -0.19 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 2wa9 s ILE 31 CO 0.09 0.52 -0.05 -0.22 0.00 0.00 0.00 174.94 175.28 2wa9 s LEU 32 N -1.01 2.95 -0.12 2.97 2.96 -0.31 0.27 118.68 126.39 2wa9 s LEU 32 Ca 0.14 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2wa9 s LEU 32 Cb -0.11 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2wa9 s LEU 32 CO 0.03 0.03 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.39 2wa9 s VAL 33 N 1.16 4.14 0.43 1.68 1.01 -0.37 -1.49 120.40 126.97 2wa9 s VAL 33 Ca 0.02 -0.29 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 2wa9 s VAL 33 Cb -0.14 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 2wa9 s VAL 33 CO -0.01 0.55 1.27 0.21 0.00 0.00 0.00 175.10 177.12 2wa9 s ASN 34 N -0.29 6.16 0.00 3.32 2.47 -0.97 -4.09 114.94 121.55 2wa9 s ASN 34 Ca 0.06 2.56 -0.15 0.00 0.42 0.00 0.00 52.86 55.75 2wa9 s ASN 34 Cb -0.12 -2.63 0.02 0.00 -1.45 0.00 0.00 41.25 37.07 2wa9 s ASN 34 CO 0.02 -0.94 0.32 1.51 -3.72 0.00 0.00 177.10 174.29 2wa9 s ASP 35 N -0.94 -0.19 0.00 -4.21 1.47 -1.26 -4.97 116.67 106.57 2wa9 s ASP 35 Ca 0.60 0.02 0.12 0.00 1.18 0.00 0.00 52.55 54.48 2wa9 s ASP 35 Cb -0.36 0.33 0.73 0.00 -0.34 0.00 0.00 42.92 43.29 2wa9 s ASP 35 CO 0.45 -0.51 1.22 0.47 0.68 0.00 0.00 175.17 177.48 2wa9 n ASP 36 N 1.04 0.00 -0.01 2.11 8.00 -1.26 -3.99 116.55 122.44 2wa9 n ASP 36 Ca -0.21 -0.89 -0.01 0.00 0.71 0.00 0.00 54.79 54.40 2wa9 n ASP 36 Cb 0.57 0.00 -0.01 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 -0.80 0.00 -2.02 1.24 4.01 -1.26 -4.98 117.16 113.34 2wa9 n TYR 37 Ca 0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.41 2wa9 n TYR 37 Cb 0.04 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 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 -2.03 3.36 0.83 -0.72 2.01 -1.26 -4.97 115.64 112.85 2wa9 s THR 38 Ca -0.02 0.70 -0.14 0.00 0.31 0.00 0.00 61.69 62.55 2wa9 s THR 38 Cb 0.01 -3.45 0.05 0.00 0.01 0.00 0.00 72.50 69.11 2wa9 s THR 38 CO 0.05 -0.02 0.87 -2.65 -0.69 0.00 0.00 174.62 172.18 2wa9 n PRO 39 N 5.97 0.07 0.06 4.92 -0.02 -1.26 -4.92 135.00 139.81 2wa9 n PRO 39 Ca 0.16 0.09 -0.18 0.00 -2.02 0.00 0.00 63.50 61.55 2wa9 n PRO 39 Cb 0.42 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.99 0.58 -1.00 -0.52 2.86 -2.00 -2.99 114.93 110.87 2wa9 h MET 40 Ca -0.45 -0.64 0.14 0.00 -2.06 0.00 0.00 59.70 56.69 2wa9 h MET 40 Cb 1.31 0.18 -0.09 0.00 0.06 0.00 0.00 31.60 33.06 2wa9 h MET 40 CO 0.42 1.25 0.63 0.93 1.06 0.00 0.00 176.91 181.20 2wa9 h GLU 41 N 0.32 0.90 -0.05 1.72 4.39 -1.99 -0.65 114.58 119.22 2wa9 h GLU 41 Ca -0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2wa9 h GLU 41 Cb 1.68 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2wa9 h GLU 41 CO 0.19 0.60 0.01 0.35 -1.16 0.00 0.00 179.01 179.00 2wa9 h PHE 42 N 0.93 0.09 -0.88 4.33 3.57 -1.89 0.26 116.94 123.35 2wa9 h PHE 42 Ca 0.52 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.08 2wa9 h PHE 42 Cb 0.61 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 2wa9 h PHE 42 CO -0.00 0.30 0.57 0.28 -2.23 0.00 0.00 178.31 177.23 2wa9 h VAL 43 N -0.15 1.04 -0.38 1.41 2.07 -1.25 0.22 116.25 119.21 2wa9 h VAL 43 Ca 0.02 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2wa9 h VAL 43 Cb 0.26 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2wa9 h VAL 43 CO 0.00 0.18 0.23 0.40 0.02 0.00 0.00 177.57 178.39 2wa9 h ILE 44 N 0.96 1.13 0.04 4.57 2.04 -0.75 -1.32 117.51 124.18 2wa9 h ILE 44 Ca 0.38 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.98 2wa9 h ILE 44 Cb 0.25 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2wa9 h ILE 44 CO -0.15 0.13 -0.39 -0.78 0.00 0.00 0.00 178.15 176.96 2wa9 h ASP 45 N 0.50 -1.16 -0.69 1.72 3.58 0.17 -1.49 116.42 119.06 2wa9 h ASP 45 Ca 0.14 0.14 0.15 0.00 0.42 0.00 0.00 57.03 57.88 2wa9 h ASP 45 Cb 0.00 0.45 -0.11 0.00 1.72 0.00 0.00 39.33 41.39 2wa9 h ASP 45 CO -0.03 -0.45 0.05 0.58 -2.88 0.00 0.00 179.24 176.52 2wa9 h VAL 46 N -0.57 0.45 0.00 2.25 2.07 -0.57 0.58 116.25 120.45 2wa9 h VAL 46 Ca 0.04 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2wa9 h VAL 46 Cb 0.63 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2wa9 h VAL 46 CO -0.27 0.03 -0.50 -0.07 0.02 0.00 0.00 177.57 176.77 2wa9 h LEU 47 N 0.15 0.00 0.14 2.57 3.38 -0.68 -1.43 115.31 119.45 2wa9 h LEU 47 Ca 0.37 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.06 2wa9 h LEU 47 Cb 0.63 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2wa9 h LEU 47 CO -0.57 0.50 -1.32 1.56 0.09 0.00 0.00 178.44 178.71 2wa9 h GLN 48 N 0.00 0.30 0.14 1.13 4.20 -0.71 -2.71 115.11 117.45 2wa9 h GLN 48 Ca -0.01 -0.51 -0.29 0.00 0.06 0.00 0.00 58.65 57.90 2wa9 h GLN 48 Cb 0.96 0.19 0.02 0.00 0.30 0.00 0.00 27.48 28.95 2wa9 h GLN 48 CO 0.07 1.23 -1.26 -0.22 -0.67 0.00 0.00 178.83 177.98 2wa9 h LYS 49 N 0.08 0.44 -0.00 1.46 3.64 -0.69 -3.07 116.57 118.44 2wa9 h LYS 49 Ca -0.17 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.55 2wa9 h LYS 49 Cb 2.00 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 34.06 2wa9 h LYS 49 CO 0.21 1.30 -0.09 1.19 -2.27 0.00 0.00 179.45 179.78 2wa9 n PHE 50 N -3.67 0.00 -0.24 1.91 3.72 -0.56 -4.61 117.46 114.01 2wa9 n PHE 50 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2wa9 n PHE 50 Cb 1.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 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 -0.45 0.00 -1.83 1.38 3.01 -1.18 -5.02 117.46 113.37 2wa9 n PHE 51 Ca 0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.27 2wa9 n PHE 51 Cb 0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.49 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 -0.24 -5.58 -4.76 4.37 7.64 -1.11 -4.96 113.62 108.97 2wa9 n SER 52 Ca 0.00 0.37 -0.35 0.00 1.01 0.00 0.00 58.87 59.90 2wa9 n SER 52 Cb 0.06 -4.85 0.04 0.00 -1.01 0.00 0.00 64.21 58.45 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 -2.84 2.48 0.68 1.43 2.02 -1.04 -4.98 117.35 115.10 2wa9 s TYR 53 Ca 0.00 1.55 -0.09 0.00 -0.37 0.00 0.00 57.07 58.15 2wa9 s TYR 53 Cb 0.00 -3.34 0.03 0.00 -0.40 0.00 0.00 41.96 38.24 2wa9 s TYR 53 CO 0.00 -1.95 1.03 0.16 -1.57 0.00 0.00 175.55 173.23 2wa9 s ASP 54 N -1.97 5.30 0.29 2.29 -4.77 -1.26 -4.37 116.67 112.18 2wa9 s ASP 54 Ca 0.73 0.87 0.03 0.00 -3.30 0.00 0.00 52.55 50.88 2wa9 s ASP 54 Cb -0.26 -1.67 0.64 0.00 -1.09 0.00 0.00 42.92 40.54 2wa9 s ASP 54 CO 0.35 -1.35 1.79 0.58 0.70 0.00 0.00 175.17 177.24 2wa9 h VAL 55 N -0.54 0.77 0.56 2.11 2.07 -1.97 -1.67 116.25 117.57 2wa9 h VAL 55 Ca -0.45 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2wa9 h VAL 55 Cb 1.27 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2wa9 h VAL 55 CO 0.63 0.14 -0.32 -0.33 0.02 0.00 0.00 177.57 177.71 2wa9 h GLU 56 N 0.79 -0.79 -0.91 1.57 5.08 -2.01 -2.32 114.58 116.00 2wa9 h GLU 56 Ca 0.53 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 59.05 2wa9 h GLU 56 Cb 0.73 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.08 2wa9 h GLU 56 CO -0.35 -0.52 0.54 0.00 -1.00 0.00 0.00 179.01 177.68 2wa9 h ARG 57 N -0.82 0.86 -0.98 2.33 2.47 -1.89 -1.70 114.38 114.66 2wa9 h ARG 57 Ca -0.08 -0.05 0.13 0.00 -1.26 0.00 0.00 59.98 58.73 2wa9 h ARG 57 Cb 0.65 -0.19 -0.08 0.00 -1.65 0.00 0.00 29.97 28.69 2wa9 h ARG 57 CO 0.09 0.57 0.62 0.00 0.56 0.00 0.00 179.97 181.81 2wa9 h ALA 58 N 1.49 1.61 -0.22 0.04 0.00 -1.18 -1.22 119.26 119.79 2wa9 h ALA 58 Ca 0.44 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.20 2wa9 h ALA 58 Cb 0.42 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wa9 h ALA 58 CO -0.26 0.12 -0.59 1.15 0.00 0.00 0.00 179.25 179.67 2wa9 h THR 59 N 0.90 1.30 -0.02 0.00 2.02 -0.74 -0.65 112.91 115.73 2wa9 h THR 59 Ca 0.50 -1.82 0.02 0.00 0.77 0.00 0.00 66.41 65.88 2wa9 h THR 59 Cb 0.59 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.71 2wa9 h THR 59 CO -0.26 0.58 -0.50 1.56 0.37 0.00 0.00 175.52 177.26 2wa9 h GLN 60 N 0.53 -0.60 -0.90 6.66 7.50 -1.13 -0.94 115.11 126.23 2wa9 h GLN 60 Ca -0.00 0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.19 2wa9 h GLN 60 Cb 1.18 0.14 -0.04 0.00 0.05 0.00 0.00 27.48 28.80 2wa9 h GLN 60 CO 0.12 -0.40 0.54 -0.07 -1.50 0.00 0.00 178.83 177.53 2wa9 h LEU 61 N -0.62 1.08 -0.08 1.46 4.07 -1.23 -0.36 115.31 119.63 2wa9 h LEU 61 Ca 0.01 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 57.92 2wa9 h LEU 61 Cb 0.67 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2wa9 h LEU 61 CO -0.35 0.83 0.03 -0.03 -1.08 0.00 0.00 178.44 177.84 2wa9 h MET 62 N 1.24 0.07 -0.55 1.13 4.05 -0.84 0.16 114.93 120.20 2wa9 h MET 62 Ca 0.32 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.77 2wa9 h MET 62 Cb -0.06 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 2wa9 h MET 62 CO -0.06 0.05 0.36 -0.07 0.23 0.00 0.00 176.91 177.42 2wa9 h LEU 63 N 0.08 0.55 -0.23 3.39 -0.00 -0.61 -0.53 115.31 117.95 2wa9 h LEU 63 Ca 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 2wa9 h LEU 63 Cb 0.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 2wa9 h LEU 63 CO -0.03 0.38 0.05 0.00 -0.00 0.00 0.00 178.44 178.84 2wa9 h ALA 64 N 1.68 0.30 -0.93 1.53 0.00 0.01 0.81 119.26 122.66 2wa9 h ALA 64 Ca 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wa9 h ALA 64 Cb 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2wa9 h ALA 64 CO -0.06 -0.04 0.57 0.28 0.00 0.00 0.00 179.25 180.01 2wa9 h VAL 65 N 0.18 1.25 -0.43 0.00 2.07 -0.28 0.11 116.25 119.16 2wa9 h VAL 65 Ca 0.07 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 2wa9 h VAL 65 Cb 0.30 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2wa9 h VAL 65 CO 0.00 0.26 -0.24 -0.74 0.02 0.00 0.00 177.57 176.87 2wa9 h HIS 66 N 1.27 1.00 0.00 1.57 6.17 -0.76 -2.14 115.15 122.26 2wa9 h HIS 66 Ca 0.33 -0.24 -0.33 0.00 0.71 0.00 0.00 60.37 60.84 2wa9 h HIS 66 Cb -0.08 -0.23 -0.06 0.00 2.52 0.00 0.00 27.41 29.55 2wa9 h HIS 66 CO 0.00 1.02 -2.26 0.66 0.71 0.00 0.00 177.93 178.06 2wa9 n TYR 67 N -4.10 0.00 0.16 5.26 4.01 0.25 -4.41 117.16 118.32 2wa9 n TYR 67 Ca -0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.85 2wa9 n TYR 67 Cb 0.45 -0.88 0.02 0.00 -0.31 0.00 0.00 39.34 38.62 2wa9 n TYR 67 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2wa9 h GLN 68 N 0.00 0.00 0.00 -0.72 4.20 -0.93 -3.48 115.11 114.18 2wa9 h GLN 68 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2wa9 h GLN 68 Cb 1.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.77 2wa9 h GLN 68 CO -0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 2wa9 n GLY 69 N 1.20 0.62 3.61 3.46 0.00 -0.81 -5.01 105.19 108.27 2wa9 n GLY 69 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.78 0.25 -0.10 1.61 -2.85 -1.23 -2.30 119.74 114.34 2wa9 s LYS 70 Ca 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 55.97 54.87 2wa9 s LYS 70 Cb 0.00 0.11 0.04 0.00 -2.06 0.00 0.00 37.83 35.92 2wa9 s LYS 70 CO 0.00 -0.10 0.24 0.00 0.10 0.00 0.00 175.35 175.60 2wa9 s ALA 71 N -1.79 -0.57 -0.51 0.59 0.00 -0.56 -4.27 121.76 114.66 2wa9 s ALA 71 Ca 0.08 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 2wa9 s ALA 71 Cb -0.01 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.58 2wa9 s ALA 71 CO -0.05 -0.16 1.48 0.42 0.00 0.00 0.00 175.76 177.45 2wa9 s ILE 72 N 0.79 3.76 0.00 0.00 1.01 -1.26 -1.16 121.20 124.34 2wa9 s ILE 72 Ca -0.05 0.68 -0.25 0.00 0.00 0.00 0.00 60.65 61.03 2wa9 s ILE 72 Cb -0.07 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.96 2wa9 s ILE 72 CO -0.05 -0.97 1.29 0.00 0.00 0.00 0.00 174.94 175.21 2wa9 s GLY 74 N -2.85 -0.17 -0.16 0.00 0.00 -1.20 -5.03 107.32 97.92 2wa9 s GLY 74 Ca -0.15 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.45 2wa9 s GLY 74 CO 0.60 -0.25 -0.19 0.14 0.00 0.00 0.00 173.10 173.40 2wa9 s VAL 75 N -3.85 2.32 0.31 1.40 1.01 -1.26 -0.15 120.40 120.18 2wa9 s VAL 75 Ca 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2wa9 s VAL 75 Cb -0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2wa9 s VAL 75 CO -0.06 0.53 0.13 -0.36 0.00 0.00 0.00 175.10 175.34 2wa9 s PHE 76 N 0.94 1.65 0.51 5.22 0.40 -0.56 -4.91 117.98 121.24 2wa9 s PHE 76 Ca -0.03 -1.27 -0.15 0.00 -0.60 0.00 0.00 56.93 54.87 2wa9 s PHE 76 Cb -0.15 -0.96 -0.07 0.00 0.51 0.00 0.00 43.02 42.35 2wa9 s PHE 76 CO -0.04 -0.39 0.97 0.95 0.70 0.00 0.00 175.22 177.41 2wa9 s THR 77 N -3.55 4.57 0.01 0.64 -4.23 -1.26 0.12 115.64 111.94 2wa9 s THR 77 Ca 0.35 1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 61.97 2wa9 s THR 77 Cb 0.06 -3.73 -0.00 0.00 1.34 0.00 0.00 72.50 70.16 2wa9 s THR 77 CO 0.16 -0.71 0.48 0.00 -0.54 0.00 0.00 174.62 174.01 2wa9 n ALA 78 N -1.65 -0.03 -0.20 3.99 0.00 -0.76 -0.92 120.51 120.93 2wa9 n ALA 78 Ca 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 2wa9 n ALA 78 Cb 0.54 0.19 0.06 0.00 0.00 0.00 0.00 19.45 20.24 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 0.64 -0.74 0.00 5.08 -1.94 -0.98 114.58 116.65 2wa9 h GLU 79 Ca 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2wa9 h GLU 79 Cb 0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2wa9 h GLU 79 CO -0.05 0.43 0.33 0.28 -1.00 0.00 0.00 179.01 179.00 2wa9 h VAL 80 N 0.66 1.24 -0.54 3.13 2.07 -1.75 -2.24 116.25 118.83 2wa9 h VAL 80 Ca 0.24 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 2wa9 h VAL 80 Cb 0.07 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2wa9 h VAL 80 CO -0.12 0.29 0.10 0.00 0.02 0.00 0.00 177.57 177.86 2wa9 h ALA 81 N 1.17 0.71 0.23 1.67 0.00 -0.20 -1.44 119.26 121.39 2wa9 h ALA 81 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wa9 h ALA 81 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wa9 h ALA 81 CO -0.03 0.44 -0.20 0.93 0.00 0.00 0.00 179.25 180.40 2wa9 h GLU 82 N 0.77 -0.43 -0.92 0.00 5.08 -1.11 -0.93 114.58 117.03 2wa9 h GLU 82 Ca 0.16 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.73 2wa9 h GLU 82 Cb 0.39 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 2wa9 h GLU 82 CO 0.01 -0.29 0.51 1.15 -1.00 0.00 0.00 179.01 179.39 2wa9 h THR 83 N -0.44 0.69 0.38 1.13 2.02 -1.15 -1.27 112.91 114.25 2wa9 h THR 83 Ca -0.01 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2wa9 h THR 83 Cb 0.40 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2wa9 h THR 83 CO -0.03 0.12 -0.18 0.11 0.37 0.00 0.00 175.52 175.91 2wa9 h LYS 84 N 0.66 -0.49 -0.22 6.66 1.79 -0.87 -1.29 116.57 122.81 2wa9 h LYS 84 Ca 0.53 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 59.07 2wa9 h LYS 84 Cb 0.81 0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 31.50 2wa9 h LYS 84 CO -0.39 -0.17 -0.51 0.28 -1.08 0.00 0.00 179.45 177.58 2wa9 h VAL 85 N -0.87 0.04 -0.48 0.50 2.07 -0.82 0.45 116.25 117.15 2wa9 h VAL 85 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 2wa9 h VAL 85 Cb 0.54 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2wa9 h VAL 85 CO 0.09 0.00 0.32 0.00 0.02 0.00 0.00 177.57 178.00 2wa9 h ALA 86 N -0.07 1.97 -0.02 1.67 0.00 -1.30 0.18 119.26 121.69 2wa9 h ALA 86 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wa9 h ALA 86 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2wa9 h ALA 86 CO -0.48 -0.06 -0.03 1.98 0.00 0.00 0.00 179.25 180.67 2wa9 h MET 87 N 0.38 0.05 -0.57 0.00 -1.53 0.09 -0.19 114.93 113.15 2wa9 h MET 87 Ca 0.21 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.39 2wa9 h MET 87 Cb 0.36 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 2wa9 h MET 87 CO -0.05 0.58 0.14 0.28 0.14 0.00 0.00 176.91 178.00 2wa9 h VAL 88 N -0.48 1.23 -0.06 -5.77 2.07 0.56 -1.27 116.25 112.53 2wa9 h VAL 88 Ca 0.00 -0.85 -0.15 0.00 0.82 0.00 0.00 66.70 66.53 2wa9 h VAL 88 Cb 0.58 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2wa9 h VAL 88 CO 0.01 0.32 -0.62 0.78 0.02 0.00 0.00 177.57 178.07 2wa9 h ASN 89 N 0.85 0.26 -0.20 0.57 2.35 -0.66 -2.34 115.58 116.41 2wa9 h ASN 89 Ca 0.19 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2wa9 h ASN 89 Cb 0.31 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2wa9 h ASN 89 CO -0.00 0.81 -0.01 0.50 -1.65 0.00 0.00 177.43 177.08 2wa9 h LYS 90 N 0.17 0.36 -0.41 0.81 1.63 -0.44 -2.29 116.57 116.40 2wa9 h LYS 90 Ca -0.01 -0.12 -0.06 0.00 -0.85 0.00 0.00 60.65 59.61 2wa9 h LYS 90 Cb 1.13 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 2wa9 h LYS 90 CO 0.10 0.58 0.01 -0.92 -3.45 0.00 0.00 179.45 175.77 2wa9 h TYR 91 N 0.11 0.67 -0.16 1.91 3.20 -1.26 -1.84 116.97 119.61 2wa9 h TYR 91 Ca 0.05 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 2wa9 h TYR 91 Cb 0.42 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 2wa9 h TYR 91 CO 0.04 0.63 -0.23 0.00 -1.64 0.00 0.00 178.16 176.96 2wa9 h ALA 92 N 1.41 0.24 -0.73 1.82 0.00 -1.36 -2.67 119.26 117.96 2wa9 h ALA 92 Ca 0.13 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2wa9 h ALA 92 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wa9 h ALA 92 CO 0.01 0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.69 2wa9 h ARG 93 N 0.06 1.14 0.00 0.00 2.47 -1.15 -0.14 114.38 116.75 2wa9 h ARG 93 Ca 0.02 -0.24 -0.09 0.00 -1.26 0.00 0.00 59.98 58.40 2wa9 h ARG 93 Cb 0.80 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 2wa9 h ARG 93 CO 0.05 0.97 -0.44 1.05 0.56 0.00 0.00 179.97 182.16 2wa9 h GLU 94 N 1.09 0.00 -0.47 0.04 4.11 -1.34 -1.82 114.58 116.19 2wa9 h GLU 94 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 2wa9 h GLU 94 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2wa9 h GLU 94 CO -0.01 0.44 0.00 0.09 0.07 0.00 0.00 179.01 179.61 2wa9 n ASN 95 N -3.79 2.47 -2.36 3.06 5.03 -1.01 -4.94 115.26 113.73 2wa9 n ASN 95 Ca -0.01 -2.04 -0.16 0.00 0.87 0.00 0.00 54.58 53.24 2wa9 n ASN 95 Cb 0.50 -0.32 0.04 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 0.77 -4.33 -4.48 3.52 1.02 -0.35 -5.01 120.64 111.79 2wa9 n GLU 96 Ca 0.15 0.60 -0.30 0.00 -0.02 0.00 0.00 57.16 57.59 2wa9 n GLU 96 Cb 0.40 -4.86 -0.13 0.00 -0.02 0.00 0.00 31.44 26.84 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 -3.09 2.45 -2.11 -0.32 3.76 -0.21 -5.02 115.29 110.75 2wa9 s HIS 97 Ca 0.30 -0.32 0.17 0.00 -0.15 0.00 0.00 55.06 55.06 2wa9 s HIS 97 Cb -0.13 -1.35 0.78 0.00 1.11 0.00 0.00 32.58 32.99 2wa9 s HIS 97 CO 0.37 0.31 1.54 -0.35 -0.85 0.00 0.00 174.74 175.75 2wa9 n PRO 98 N 1.11 1.37 -1.70 8.40 -0.04 -1.26 -4.03 135.00 138.85 2wa9 n PRO 98 Ca -0.17 -0.56 -0.56 0.00 -0.04 0.00 0.00 63.50 62.18 2wa9 n PRO 98 Cb 0.53 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 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 2.59 -4.60 1.53 7.94 -1.26 -4.93 117.00 118.08 2wa9 n LEU 99 Ca 0.13 1.06 -0.37 0.00 -1.11 0.00 0.00 56.01 55.71 2wa9 n LEU 99 Cb 0.19 -1.19 -0.11 0.00 0.53 0.00 0.00 43.42 42.84 2wa9 n LEU 99 CO 0.10 -0.36 -0.18 -0.22 -1.11 0.00 0.00 177.39 175.62 2wa9 s LEU 100 N 3.60 4.01 -0.11 -1.96 1.98 -1.26 -4.84 118.68 120.12 2wa9 s LEU 100 Ca 0.97 0.01 0.01 0.00 -2.89 0.00 0.00 54.13 52.24 2wa9 s LEU 100 Cb -0.99 -2.10 -0.02 0.00 0.66 0.00 0.00 46.19 43.74 2wa9 s LEU 100 CO 0.63 -0.01 -0.15 0.00 -1.89 0.00 0.00 176.35 174.92 2wa9 s THR 102 N 0.08 0.36 -0.02 0.00 -1.32 0.14 -4.89 115.64 109.98 2wa9 s THR 102 Ca -0.06 -1.99 -0.00 0.00 -1.21 0.00 0.00 61.69 58.42 2wa9 s THR 102 Cb -0.15 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 2wa9 s THR 102 CO 0.05 -0.09 0.05 -0.76 -2.21 0.00 0.00 174.62 171.65 2wa9 s LEU 103 N -3.23 3.76 0.30 9.08 1.43 -1.26 -1.23 118.68 127.53 2wa9 s LEU 103 Ca 0.36 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 2wa9 s LEU 103 Cb 0.07 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2wa9 s LEU 103 CO 0.11 0.30 0.13 -0.70 0.23 0.00 0.00 176.35 176.42 2wa9 s GLU 104 N -1.51 1.58 -0.94 1.70 2.12 -1.07 -4.97 118.70 115.60 2wa9 s GLU 104 Ca 0.20 -1.89 -0.10 0.00 0.36 0.00 0.00 54.97 53.54 2wa9 s GLU 104 Cb -0.12 -0.22 0.24 0.00 0.26 0.00 0.00 34.13 34.29 2wa9 s GLU 104 CO 0.10 -0.40 0.89 0.21 -0.54 0.00 0.00 175.26 175.53 2wa9 s LYS 105 N -3.87 3.76 0.00 4.30 2.20 -1.26 -3.61 119.74 121.25 2wa9 s LYS 105 Ca 0.35 -2.88 0.02 0.00 -0.36 0.00 0.00 55.97 53.10 2wa9 s LYS 105 Cb 0.06 -4.39 0.09 0.00 -1.51 0.00 0.00 37.83 32.09 2wa9 s LYS 105 CO 0.16 -1.26 0.59 0.00 -0.36 0.00 0.00 175.35 174.48