#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa8 n ASP 20 N 0.00 0.00 0.00 0.55 4.64 -1.26 -5.02 116.55 115.46 2wa8 n ASP 20 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2wa8 n ASP 20 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2wa8 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wa8 n ALA 21 N 7.06 0.00 -3.00 -1.67 0.00 -1.26 -5.20 120.51 116.44 2wa8 n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wa8 n ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wa8 n ALA 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wa8 n LEU 22 N 0.00 0.00 0.00 0.00 7.94 -1.26 -5.14 117.00 118.54 2wa8 n LEU 22 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wa8 n LEU 22 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2wa8 n LEU 22 CO 0.00 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.57 2wa8 n LYS 23 N 0.00 0.00 -1.54 1.96 4.01 -1.26 -4.90 118.16 116.42 2wa8 n LYS 23 Ca 0.00 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.45 2wa8 n LYS 23 Cb 0.00 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 34.61 2wa8 n LYS 23 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 2wa8 s PRO 24 N 0.00 2.26 0.78 1.97 0.02 -1.26 -4.96 135.00 133.82 2wa8 s PRO 24 Ca 0.00 1.92 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 2wa8 s PRO 24 Cb 0.00 -1.83 0.06 0.00 0.02 0.00 0.00 34.50 32.75 2wa8 s PRO 24 CO 0.00 -1.78 1.08 -1.25 -0.33 0.00 0.00 177.00 174.73 2wa8 s PRO 25 N -3.67 2.22 0.16 5.54 0.04 -1.26 -5.01 135.00 133.02 2wa8 s PRO 25 Ca 0.78 1.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.58 2wa8 s PRO 25 Cb -0.33 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 2wa8 s PRO 25 CO 0.43 -1.62 0.81 -1.54 0.04 0.00 0.00 177.00 175.12 2wa8 s SER 26 N -3.53 7.41 0.14 6.66 1.04 -1.26 -5.05 113.70 119.10 2wa8 s SER 26 Ca 0.61 1.68 0.02 0.00 0.48 0.00 0.00 55.95 58.74 2wa8 s SER 26 Cb -0.16 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 2wa8 s SER 26 CO 0.56 0.16 0.27 -0.04 0.98 0.00 0.00 173.24 175.17 2wa8 s MET 27 N -0.96 3.43 -0.05 4.02 -1.94 -1.26 -3.87 119.30 118.67 2wa8 s MET 27 Ca 0.37 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 53.80 2wa8 s MET 27 Cb -0.23 -2.97 0.01 0.00 2.01 0.00 0.00 34.83 33.64 2wa8 s MET 27 CO 0.27 0.53 -0.11 0.71 -0.01 0.00 0.00 175.02 176.41 2wa8 s TYR 28 N -1.71 1.29 0.00 -0.03 2.02 0.72 -0.13 117.35 119.52 2wa8 s TYR 28 Ca 0.35 -0.42 -0.28 0.00 -0.37 0.00 0.00 57.07 56.35 2wa8 s TYR 28 Cb -0.11 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 2wa8 s TYR 28 CO 0.28 -0.20 0.89 0.15 -1.57 0.00 0.00 175.55 175.10 2wa8 s LYS 29 N 0.47 4.54 -0.31 -0.62 1.02 0.36 -0.68 119.74 124.52 2wa8 s LYS 29 Ca -0.10 1.26 -0.17 0.00 0.02 0.00 0.00 55.97 56.98 2wa8 s LYS 29 Cb -0.13 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 2wa8 s LYS 29 CO 0.02 0.05 0.46 0.08 -0.92 0.00 0.00 175.35 175.04 2wa8 s VAL 30 N 0.71 5.09 -0.12 3.17 1.01 0.34 -0.80 120.40 129.79 2wa8 s VAL 30 Ca 0.46 0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.89 2wa8 s VAL 30 Cb -0.20 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2wa8 s VAL 30 CO 0.25 -0.04 -0.02 -0.63 0.00 0.00 0.00 175.10 174.66 2wa8 s ILE 31 N 2.25 4.13 -0.17 2.22 -1.09 -0.03 0.39 121.20 128.89 2wa8 s ILE 31 Ca 0.17 -0.29 -0.09 0.00 -2.23 0.00 0.00 60.65 58.21 2wa8 s ILE 31 Cb -0.16 -2.78 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 2wa8 s ILE 31 CO 0.11 0.54 0.15 -0.22 -1.23 0.00 0.00 174.94 174.29 2wa8 s LEU 32 N -0.22 4.26 -0.02 2.97 2.96 -0.45 -1.26 118.68 126.92 2wa8 s LEU 32 Ca 0.05 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2wa8 s LEU 32 Cb -0.13 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2wa8 s LEU 32 CO 0.02 0.24 0.11 -0.69 -1.32 0.00 0.00 176.35 174.70 2wa8 s VAL 33 N -0.01 4.95 0.42 1.68 1.01 -0.34 -1.98 120.40 126.12 2wa8 s VAL 33 Ca 0.10 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 2wa8 s VAL 33 Cb -0.11 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 2wa8 s VAL 33 CO 0.00 0.38 1.08 0.21 0.00 0.00 0.00 175.10 176.77 2wa8 s ASN 34 N -1.67 6.60 0.15 3.32 2.47 -0.33 -4.36 114.94 121.13 2wa8 s ASN 34 Ca 0.23 2.10 -0.06 0.00 0.42 0.00 0.00 52.86 55.55 2wa8 s ASN 34 Cb -0.12 -2.59 -0.02 0.00 -1.45 0.00 0.00 41.25 37.07 2wa8 s ASN 34 CO 0.13 -0.60 0.19 1.51 -3.72 0.00 0.00 177.10 174.61 2wa8 s ASP 35 N -1.52 0.15 0.00 -4.21 1.47 -1.26 -4.99 116.67 106.31 2wa8 s ASP 35 Ca 0.59 -1.00 0.29 0.00 1.18 0.00 0.00 52.55 53.61 2wa8 s ASP 35 Cb -0.23 0.38 1.29 0.00 -0.34 0.00 0.00 42.92 44.01 2wa8 s ASP 35 CO 0.29 -0.82 1.88 0.47 0.68 0.00 0.00 175.17 177.67 2wa8 n ASP 36 N -0.16 0.74 -0.01 2.11 8.00 -1.26 -4.41 116.55 121.57 2wa8 n ASP 36 Ca -0.07 -1.00 -0.01 0.00 0.71 0.00 0.00 54.79 54.42 2wa8 n ASP 36 Cb 0.63 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.71 2wa8 n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wa8 n TYR 37 N -0.57 0.00 -1.82 1.24 4.01 -1.26 -4.97 117.16 113.79 2wa8 n TYR 37 Ca 0.18 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.50 2wa8 n TYR 37 Cb 0.27 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 2wa8 n TYR 37 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wa8 s THR 38 N -2.02 2.50 0.37 -0.72 2.01 -1.26 -4.95 115.64 111.56 2wa8 s THR 38 Ca -0.01 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 2wa8 s THR 38 Cb 0.00 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.26 2wa8 s THR 38 CO 0.04 0.01 1.39 -2.84 -0.69 0.00 0.00 174.62 172.53 2wa8 s PRO 39 N 1.78 4.17 0.22 4.92 0.02 -1.26 -4.92 135.00 139.93 2wa8 s PRO 39 Ca 0.75 2.37 -0.08 0.00 0.02 0.00 0.00 61.00 64.06 2wa8 s PRO 39 Cb -0.45 -2.97 0.33 0.00 0.02 0.00 0.00 34.50 31.42 2wa8 s PRO 39 CO 0.33 -0.40 1.73 0.52 -0.33 0.00 0.00 177.00 178.85 2wa8 h MET 40 N 3.08 0.39 -0.95 5.54 2.86 -1.99 -0.90 114.93 122.96 2wa8 h MET 40 Ca -0.50 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.28 2wa8 h MET 40 Cb 1.24 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.71 2wa8 h MET 40 CO 0.64 0.26 0.56 0.93 1.06 0.00 0.00 176.91 180.35 2wa8 h GLU 41 N 0.40 0.73 0.09 1.72 5.08 -2.00 -1.23 114.58 119.36 2wa8 h GLU 41 Ca 0.34 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2wa8 h GLU 41 Cb 0.45 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2wa8 h GLU 41 CO -0.35 0.48 -0.04 0.35 -1.00 0.00 0.00 179.01 178.45 2wa8 h PHE 42 N 0.75 -0.11 -0.66 4.33 3.57 -1.55 -1.99 116.94 121.28 2wa8 h PHE 42 Ca 0.53 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.13 2wa8 h PHE 42 Cb 0.76 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.46 2wa8 h PHE 42 CO -0.03 0.20 0.27 0.28 -2.23 0.00 0.00 178.31 176.79 2wa8 h VAL 43 N -0.42 0.76 -0.62 1.41 2.07 -0.94 -0.51 116.25 118.01 2wa8 h VAL 43 Ca -0.01 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.44 2wa8 h VAL 43 Cb 0.35 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 2wa8 h VAL 43 CO 0.02 0.08 0.24 0.40 0.02 0.00 0.00 177.57 178.33 2wa8 h ILE 44 N 0.46 0.78 -0.06 4.57 2.04 -1.09 -1.45 117.51 122.76 2wa8 h ILE 44 Ca 0.34 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 66.06 2wa8 h ILE 44 Cb 0.43 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2wa8 h ILE 44 CO -0.32 0.08 0.01 -0.78 0.00 0.00 0.00 178.15 177.13 2wa8 h ASP 45 N 0.43 -0.01 -0.75 1.72 3.58 -0.37 -2.01 116.42 119.01 2wa8 h ASP 45 Ca 0.31 0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.94 2wa8 h ASP 45 Cb 0.38 0.02 -0.11 0.00 1.72 0.00 0.00 39.33 41.33 2wa8 h ASP 45 CO -0.30 0.01 0.17 0.58 -2.88 0.00 0.00 179.24 176.82 2wa8 h VAL 46 N 0.03 0.49 -0.51 2.25 2.07 -0.62 0.19 116.25 120.16 2wa8 h VAL 46 Ca 0.03 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 2wa8 h VAL 46 Cb 0.02 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 2wa8 h VAL 46 CO -0.04 0.05 -0.05 -0.07 0.02 0.00 0.00 177.57 177.48 2wa8 h LEU 47 N 0.25 0.92 0.31 2.57 3.38 -0.57 0.20 115.31 122.37 2wa8 h LEU 47 Ca 0.42 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2wa8 h LEU 47 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2wa8 h LEU 47 CO -0.53 1.03 -0.15 1.56 0.09 0.00 0.00 178.44 180.44 2wa8 h GLN 48 N 0.79 -0.41 -0.41 1.13 4.20 -1.08 -2.07 115.11 117.27 2wa8 h GLN 48 Ca 0.14 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.92 2wa8 h GLN 48 Cb 0.59 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 2wa8 h GLN 48 CO 0.04 -0.14 0.17 -0.22 -0.67 0.00 0.00 178.83 178.00 2wa8 h LYS 49 N -0.63 0.33 -0.00 1.46 3.64 -0.50 -2.61 116.57 118.27 2wa8 h LYS 49 Ca -0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2wa8 h LYS 49 Cb 0.45 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2wa8 h LYS 49 CO 0.07 0.22 -0.66 1.19 -2.27 0.00 0.00 179.45 178.00 2wa8 n PHE 50 N -4.98 0.00 -0.60 1.91 3.72 0.05 -4.59 117.46 112.97 2wa8 n PHE 50 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2wa8 n PHE 50 Cb 0.14 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 2wa8 n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2wa8 n PHE 51 N -1.30 0.00 -2.29 1.38 3.01 -0.79 -5.00 117.46 112.46 2wa8 n PHE 51 Ca 0.03 -0.15 -0.20 0.00 1.01 0.00 0.00 57.45 58.14 2wa8 n PHE 51 Cb 0.22 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.66 2wa8 n PHE 51 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2wa8 n SER 52 N -0.15 -5.63 -4.77 4.37 7.64 -0.98 -4.94 113.62 109.16 2wa8 n SER 52 Ca 0.00 0.03 -0.39 0.00 1.01 0.00 0.00 58.87 59.52 2wa8 n SER 52 Cb 0.34 -4.69 -0.06 0.00 -1.01 0.00 0.00 64.21 58.79 2wa8 n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wa8 s TYR 53 N -2.96 3.89 1.07 1.43 2.02 -1.12 -4.98 117.35 116.70 2wa8 s TYR 53 Ca 0.00 1.80 -0.16 0.00 -0.37 0.00 0.00 57.07 58.34 2wa8 s TYR 53 Cb 0.00 -2.90 0.23 0.00 -0.40 0.00 0.00 41.96 38.89 2wa8 s TYR 53 CO 0.00 0.41 1.14 0.16 -1.57 0.00 0.00 175.55 175.69 2wa8 s ASP 54 N -1.30 2.05 0.11 2.29 1.47 -1.26 -3.94 116.67 116.09 2wa8 s ASP 54 Ca 0.42 0.77 -0.17 0.00 1.18 0.00 0.00 52.55 54.75 2wa8 s ASP 54 Cb -0.23 -1.15 -0.04 0.00 -0.34 0.00 0.00 42.92 41.16 2wa8 s ASP 54 CO 0.28 -3.44 1.60 0.58 0.68 0.00 0.00 175.17 174.87 2wa8 h VAL 55 N -2.11 1.23 0.18 2.11 2.07 -1.97 0.10 116.25 117.86 2wa8 h VAL 55 Ca -0.48 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.26 2wa8 h VAL 55 Cb 1.30 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 2wa8 h VAL 55 CO 0.45 0.26 -0.48 -0.33 0.02 0.00 0.00 177.57 177.49 2wa8 h GLU 56 N 0.38 -0.73 -0.64 1.57 3.07 -1.99 0.20 114.58 116.44 2wa8 h GLU 56 Ca 0.10 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2wa8 h GLU 56 Cb 0.32 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 2wa8 h GLU 56 CO 0.00 -0.49 0.41 0.00 -1.40 0.00 0.00 179.01 177.53 2wa8 h ARG 57 N -0.76 0.85 -0.47 2.33 2.47 -1.94 -2.44 114.38 114.43 2wa8 h ARG 57 Ca -0.00 -0.06 0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2wa8 h ARG 57 Cb 0.75 -0.19 -0.05 0.00 -1.65 0.00 0.00 29.97 28.84 2wa8 h ARG 57 CO -0.24 0.59 0.19 0.00 0.56 0.00 0.00 179.97 181.07 2wa8 h ALA 58 N 1.22 0.58 -0.54 0.04 0.00 -0.50 -0.47 119.26 119.58 2wa8 h ALA 58 Ca 0.23 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2wa8 h ALA 58 Cb -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wa8 h ALA 58 CO -0.05 -0.19 0.16 1.15 0.00 0.00 0.00 179.25 180.33 2wa8 h THR 59 N 0.38 1.24 -0.75 0.00 2.02 -0.49 0.46 112.91 115.77 2wa8 h THR 59 Ca 0.22 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2wa8 h THR 59 Cb 0.19 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2wa8 h THR 59 CO -0.20 0.30 0.31 -0.61 0.37 0.00 0.00 175.52 175.70 2wa8 h GLN 60 N 0.75 1.11 -0.26 6.66 4.15 -0.98 -0.80 115.11 125.74 2wa8 h GLN 60 Ca 0.17 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 2wa8 h GLN 60 Cb 0.29 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2wa8 h GLN 60 CO -0.00 0.89 -0.35 1.25 -1.93 0.00 0.00 178.83 178.68 2wa8 h LEU 61 N 1.08 0.75 -0.71 -2.39 5.85 -0.75 0.09 115.31 119.24 2wa8 h LEU 61 Ca 0.25 -0.50 0.10 0.00 0.84 0.00 0.00 57.88 58.57 2wa8 h LEU 61 Cb 0.18 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2wa8 h LEU 61 CO -0.02 1.11 0.34 -0.03 -0.34 0.00 0.00 178.44 179.49 2wa8 h MET 62 N 0.42 0.55 -0.40 1.25 4.05 -0.69 -1.33 114.93 118.77 2wa8 h MET 62 Ca 0.03 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.31 2wa8 h MET 62 Cb 0.93 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 2wa8 h MET 62 CO 0.08 0.36 -0.17 -0.07 0.23 0.00 0.00 176.91 177.35 2wa8 h LEU 63 N 0.57 0.75 -0.49 3.39 3.38 -0.65 0.22 115.31 122.47 2wa8 h LEU 63 Ca 0.35 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2wa8 h LEU 63 Cb 0.40 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2wa8 h LEU 63 CO -0.29 0.92 0.22 0.00 0.09 0.00 0.00 178.44 179.38 2wa8 h ALA 64 N 1.14 0.62 0.51 1.53 0.00 -0.29 0.15 119.26 122.93 2wa8 h ALA 64 Ca 0.10 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2wa8 h ALA 64 Cb 0.66 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.42 2wa8 h ALA 64 CO 0.05 -0.15 -0.25 0.28 0.00 0.00 0.00 179.25 179.18 2wa8 h VAL 65 N 0.43 0.50 -0.71 0.00 2.07 -0.81 0.10 116.25 117.83 2wa8 h VAL 65 Ca 0.23 -0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.87 2wa8 h VAL 65 Cb 0.18 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 2wa8 h VAL 65 CO -0.19 0.00 0.29 -0.74 0.02 0.00 0.00 177.57 176.95 2wa8 h HIS 66 N -0.69 0.49 0.00 1.57 6.17 -0.17 0.73 115.15 123.26 2wa8 h HIS 66 Ca -0.07 0.03 -0.30 0.00 0.71 0.00 0.00 60.37 60.75 2wa8 h HIS 66 Cb 0.53 -0.11 -0.05 0.00 2.52 0.00 0.00 27.41 30.29 2wa8 h HIS 66 CO -0.04 0.09 -1.78 0.66 0.71 0.00 0.00 177.93 177.57 2wa8 n TYR 67 N -4.99 0.89 0.22 5.26 4.01 0.50 -4.28 117.16 118.78 2wa8 n TYR 67 Ca 0.12 0.32 0.11 0.00 -0.16 0.00 0.00 57.90 58.30 2wa8 n TYR 67 Cb 0.36 -1.16 -0.13 0.00 -0.31 0.00 0.00 39.34 38.09 2wa8 n TYR 67 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2wa8 n GLN 68 N -3.01 0.51 0.00 -0.72 6.02 0.35 -4.99 117.38 115.55 2wa8 n GLN 68 Ca -0.18 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 2wa8 n GLN 68 Cb 1.06 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.77 2wa8 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wa8 n GLY 69 N 1.30 3.26 3.51 1.08 0.00 0.25 -4.98 105.19 109.61 2wa8 n GLY 69 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2wa8 n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wa8 s LYS 70 N -0.74 0.88 0.04 1.61 -2.85 -1.22 -1.18 119.74 116.29 2wa8 s LYS 70 Ca 0.00 -0.10 -0.17 0.00 -1.00 0.00 0.00 55.97 54.70 2wa8 s LYS 70 Cb 0.00 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.21 2wa8 s LYS 70 CO 0.00 -0.34 0.40 0.00 0.10 0.00 0.00 175.35 175.51 2wa8 s ALA 71 N -2.30 -0.96 -0.22 0.59 0.00 -0.84 -4.44 121.76 113.60 2wa8 s ALA 71 Ca -0.01 0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.96 2wa8 s ALA 71 Cb -0.01 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2wa8 s ALA 71 CO -0.03 -0.44 0.93 0.42 0.00 0.00 0.00 175.76 176.64 2wa8 s ILE 72 N -2.44 4.77 -0.15 0.00 1.01 -1.26 -1.34 121.20 121.79 2wa8 s ILE 72 Ca -0.05 1.80 0.17 0.00 0.00 0.00 0.00 60.65 62.56 2wa8 s ILE 72 Cb -0.01 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 2wa8 s ILE 72 CO -0.02 -0.10 1.08 0.00 0.00 0.00 0.00 174.94 175.89 2wa8 n GLY 74 N 1.31 0.79 2.96 0.00 0.00 -1.23 -5.01 105.19 104.02 2wa8 n GLY 74 Ca -0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 2wa8 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wa8 s VAL 75 N -2.00 0.77 0.19 1.61 1.01 -1.26 -0.51 120.40 120.22 2wa8 s VAL 75 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 2wa8 s VAL 75 Cb 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2wa8 s VAL 75 CO 0.00 0.26 0.26 -0.36 0.00 0.00 0.00 175.10 175.26 2wa8 s PHE 76 N 0.59 0.68 0.78 5.22 0.40 0.15 -4.94 117.98 120.87 2wa8 s PHE 76 Ca -0.10 -1.00 -0.12 0.00 -0.60 0.00 0.00 56.93 55.11 2wa8 s PHE 76 Cb -0.13 -0.20 0.07 0.00 0.51 0.00 0.00 43.02 43.27 2wa8 s PHE 76 CO 0.01 -0.74 1.14 0.95 0.70 0.00 0.00 175.22 177.28 2wa8 s THR 77 N -4.05 2.73 0.18 0.64 -4.23 -1.26 -0.20 115.64 109.46 2wa8 s THR 77 Ca 0.26 0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.89 2wa8 s THR 77 Cb 0.04 -2.66 0.14 0.00 1.34 0.00 0.00 72.50 71.37 2wa8 s THR 77 CO 0.06 -0.27 1.64 0.00 -0.54 0.00 0.00 174.62 175.51 2wa8 h ALA 78 N -0.96 0.26 -0.08 3.99 0.00 -1.93 -0.22 119.26 120.33 2wa8 h ALA 78 Ca -0.45 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wa8 h ALA 78 Cb 1.26 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2wa8 h ALA 78 CO 0.49 -0.48 0.05 0.93 0.00 0.00 0.00 179.25 180.23 2wa8 h GLU 79 N -0.04 0.12 -0.20 0.00 3.07 -1.94 -0.41 114.58 115.17 2wa8 h GLU 79 Ca 0.23 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 2wa8 h GLU 79 Cb 0.39 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2wa8 h GLU 79 CO -0.52 0.16 0.05 0.28 -1.40 0.00 0.00 179.01 177.58 2wa8 h VAL 80 N 0.05 0.93 -0.91 3.13 2.07 -1.81 -2.35 116.25 117.35 2wa8 h VAL 80 Ca 0.03 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2wa8 h VAL 80 Cb 0.07 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 2wa8 h VAL 80 CO -0.00 0.03 0.56 0.00 0.02 0.00 0.00 177.57 178.17 2wa8 h ALA 81 N 1.14 1.32 -0.06 1.67 0.00 -0.78 -1.59 119.26 120.96 2wa8 h ALA 81 Ca 0.09 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2wa8 h ALA 81 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2wa8 h ALA 81 CO -0.11 0.22 -0.60 0.93 0.00 0.00 0.00 179.25 179.69 2wa8 h GLU 82 N 0.94 0.20 -0.19 0.00 5.08 -0.76 -1.78 114.58 118.07 2wa8 h GLU 82 Ca 0.43 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2wa8 h GLU 82 Cb 0.35 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2wa8 h GLU 82 CO -0.23 0.74 -0.05 1.15 -1.00 0.00 0.00 179.01 179.61 2wa8 h THR 83 N 0.15 1.29 -0.04 1.13 2.02 -0.94 -0.37 112.91 116.15 2wa8 h THR 83 Ca -0.01 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.17 2wa8 h THR 83 Cb 1.09 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 2wa8 h THR 83 CO 0.09 0.31 -0.31 0.11 0.37 0.00 0.00 175.52 176.09 2wa8 h LYS 84 N 0.09 -0.42 -0.39 6.66 1.79 -1.19 0.22 116.57 123.33 2wa8 h LYS 84 Ca 0.05 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 2wa8 h LYS 84 Cb 0.50 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 2wa8 h LYS 84 CO 0.02 -0.28 0.21 0.28 -1.08 0.00 0.00 179.45 178.60 2wa8 h VAL 85 N -0.44 1.00 -0.43 0.50 2.07 -1.28 0.40 116.25 118.07 2wa8 h VAL 85 Ca 0.07 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2wa8 h VAL 85 Cb 0.54 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2wa8 h VAL 85 CO -0.28 0.08 0.20 0.00 0.02 0.00 0.00 177.57 177.58 2wa8 h ALA 86 N 1.19 0.56 -0.36 1.67 0.00 -0.82 -1.59 119.26 119.93 2wa8 h ALA 86 Ca 0.16 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2wa8 h ALA 86 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2wa8 h ALA 86 CO -0.10 0.14 -0.06 0.52 0.00 0.00 0.00 179.25 179.75 2wa8 h MET 87 N 0.56 0.67 -0.33 0.00 2.07 0.21 -1.13 114.93 116.97 2wa8 h MET 87 Ca 0.15 -0.24 0.02 0.00 -2.07 0.00 0.00 59.70 57.55 2wa8 h MET 87 Cb 0.14 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 29.80 2wa8 h MET 87 CO -0.02 0.81 0.18 0.28 1.07 0.00 0.00 176.91 179.24 2wa8 h VAL 88 N 0.46 1.02 -0.43 -2.22 2.07 -0.09 0.03 116.25 117.09 2wa8 h VAL 88 Ca 0.09 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 2wa8 h VAL 88 Cb 0.55 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2wa8 h VAL 88 CO 0.03 0.07 -0.20 0.78 0.02 0.00 0.00 177.57 178.26 2wa8 h ASN 89 N 0.38 0.93 -0.82 0.57 2.35 -1.17 -0.79 115.58 117.02 2wa8 h ASN 89 Ca 0.13 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2wa8 h ASN 89 Cb 0.02 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2wa8 h ASN 89 CO -0.07 1.12 0.51 0.50 -1.65 0.00 0.00 177.43 177.84 2wa8 h LYS 90 N 0.73 1.10 -0.32 0.81 3.64 -1.03 -1.65 116.57 119.85 2wa8 h LYS 90 Ca 0.10 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2wa8 h LYS 90 Cb 0.77 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2wa8 h LYS 90 CO 0.06 0.76 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.93 2wa8 h TYR 91 N 1.12 0.62 -0.10 1.91 3.20 -0.64 -2.11 116.97 120.97 2wa8 h TYR 91 Ca 0.30 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2wa8 h TYR 91 Cb -0.07 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 2wa8 h TYR 91 CO -0.01 0.70 -0.00 0.00 -1.64 0.00 0.00 178.16 177.21 2wa8 h ALA 92 N 1.32 0.14 -0.67 1.82 0.00 -0.63 -3.04 119.26 118.19 2wa8 h ALA 92 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wa8 h ALA 92 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2wa8 h ALA 92 CO 0.04 -0.17 0.29 0.00 0.00 0.00 0.00 179.25 179.41 2wa8 h ARG 93 N -0.10 0.99 0.00 0.00 2.47 -1.15 -0.29 114.38 116.30 2wa8 h ARG 93 Ca 0.03 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2wa8 h ARG 93 Cb 0.37 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2wa8 h ARG 93 CO 0.01 0.81 0.00 0.93 0.56 0.00 0.00 179.97 182.28 2wa8 h GLU 94 N 0.94 0.00 -0.23 0.04 5.08 -1.42 0.22 114.58 119.21 2wa8 h GLU 94 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2wa8 h GLU 94 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wa8 h GLU 94 CO -0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.08 2wa8 n ASN 95 N -2.72 3.61 -3.87 1.42 3.02 -0.60 -4.98 115.26 111.15 2wa8 n ASN 95 Ca -0.02 -2.94 -0.25 0.00 -0.03 0.00 0.00 54.58 51.34 2wa8 n ASN 95 Cb 0.08 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 2wa8 n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wa8 n GLU 96 N -0.55 -4.01 -4.67 3.52 -0.58 0.76 -5.00 120.64 110.11 2wa8 n GLU 96 Ca 0.20 0.49 -0.28 0.00 -0.42 0.00 0.00 57.16 57.15 2wa8 n GLU 96 Cb 0.82 -4.85 -0.14 0.00 -0.57 0.00 0.00 31.44 26.70 2wa8 n GLU 96 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2wa8 s HIS 97 N -3.78 2.07 -2.01 -0.32 3.76 -0.22 -5.01 115.29 109.77 2wa8 s HIS 97 Ca 0.08 -0.39 0.08 0.00 -0.15 0.00 0.00 55.06 54.67 2wa8 s HIS 97 Cb -0.04 -1.21 0.40 0.00 1.11 0.00 0.00 32.58 32.84 2wa8 s HIS 97 CO 0.86 0.15 1.26 -0.35 -0.85 0.00 0.00 174.74 175.81 2wa8 n PRO 98 N 1.61 1.11 -1.66 8.40 -0.04 -1.26 -3.89 135.00 139.27 2wa8 n PRO 98 Ca -0.17 -0.17 -0.51 0.00 -0.04 0.00 0.00 63.50 62.60 2wa8 n PRO 98 Cb 0.53 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 2wa8 n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2wa8 n LEU 99 N -0.45 2.60 -4.38 1.53 7.94 -1.26 -4.93 117.00 118.04 2wa8 n LEU 99 Ca 0.06 1.07 -0.35 0.00 -1.11 0.00 0.00 56.01 55.68 2wa8 n LEU 99 Cb 0.06 -1.28 -0.13 0.00 0.53 0.00 0.00 43.42 42.60 2wa8 n LEU 99 CO 0.04 -0.48 -0.36 -0.22 -1.11 0.00 0.00 177.39 175.26 2wa8 s LEU 100 N 2.17 3.07 -0.07 -1.96 2.96 -1.26 -4.79 118.68 118.80 2wa8 s LEU 100 Ca 0.88 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 2wa8 s LEU 100 Cb -0.86 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 2wa8 s LEU 100 CO 0.50 0.03 -0.14 0.00 -1.32 0.00 0.00 176.35 175.42 2wa8 s THR 102 N -0.39 0.10 0.22 0.00 -1.32 -0.39 -4.89 115.64 108.97 2wa8 s THR 102 Ca 0.04 -1.83 0.10 0.00 -1.21 0.00 0.00 61.69 58.79 2wa8 s THR 102 Cb -0.12 -1.99 -0.04 0.00 -1.51 0.00 0.00 72.50 68.83 2wa8 s THR 102 CO 0.02 -0.46 -0.12 -1.48 -2.21 0.00 0.00 174.62 170.37 2wa8 s LEU 103 N -3.03 2.84 -0.01 9.08 0.05 -1.26 -0.85 118.68 125.50 2wa8 s LEU 103 Ca 0.22 -0.73 0.00 0.00 0.05 0.00 0.00 54.13 53.68 2wa8 s LEU 103 Cb 0.07 -1.48 0.02 0.00 -2.05 0.00 0.00 46.19 42.75 2wa8 s LEU 103 CO 0.01 0.08 0.01 -0.70 -0.55 0.00 0.00 176.35 175.20 2wa8 s GLU 104 N -3.09 0.01 0.13 1.48 2.12 0.02 -4.96 118.70 114.42 2wa8 s GLU 104 Ca 0.26 0.08 -0.31 0.00 0.36 0.00 0.00 54.97 55.36 2wa8 s GLU 104 Cb -0.07 -0.16 -0.09 0.00 0.26 0.00 0.00 34.13 34.07 2wa8 s GLU 104 CO 0.15 -0.08 1.48 0.21 -0.54 0.00 0.00 175.26 176.48 2wa8 s LYS 105 N 0.55 4.26 0.00 4.30 2.20 -1.26 0.14 119.74 129.93 2wa8 s LYS 105 Ca -0.05 2.22 0.24 0.00 -0.36 0.00 0.00 55.97 58.02 2wa8 s LYS 105 Cb -0.07 -3.23 1.43 0.00 -1.51 0.00 0.00 37.83 34.45 2wa8 s LYS 105 CO -0.01 -0.53 1.80 0.00 -0.36 0.00 0.00 175.35 176.24