#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq s ASP 12 N 0.00 6.58 -0.05 1.08 1.01 -1.26 -3.40 116.67 120.63 2waq s ASP 12 Ca 0.00 2.01 0.00 0.00 0.71 0.00 0.00 52.55 55.27 2waq s ASP 12 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2waq s ASP 12 CO 0.00 -0.61 0.00 0.18 0.21 0.00 0.00 175.17 174.95 2waq n LEU 13 N -0.41 0.90 -0.10 1.23 4.77 -1.26 -4.86 117.00 117.26 2waq n LEU 13 Ca 0.07 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2waq n LEU 13 Cb 0.51 -2.41 0.02 0.00 -2.33 0.00 0.00 43.42 39.20 2waq n LEU 13 CO 0.43 -0.96 0.17 1.57 -1.33 0.00 0.00 177.39 177.28 2waq n HIS 14 N -2.06 0.04 -0.08 -1.77 -0.00 -1.22 -1.49 115.22 108.64 2waq n HIS 14 Ca -0.00 0.34 -0.17 0.00 0.46 0.00 0.00 57.72 58.34 2waq n HIS 14 Cb 0.48 -0.62 -0.12 0.00 -0.12 0.00 0.00 29.99 29.60 2waq n HIS 14 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 2waq h PHE 15 N 0.00 0.00 -0.02 1.57 3.57 -1.89 -3.37 116.94 116.80 2waq h PHE 15 Ca 0.11 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2waq h PHE 15 Cb 0.18 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2waq h PHE 15 CO -0.23 1.21 0.03 -0.91 -2.23 0.00 0.00 178.31 176.18 2waq h ASN 16 N -1.00 0.00 -0.25 0.41 4.21 -1.74 -0.59 115.58 116.63 2waq h ASN 16 Ca -0.15 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.17 2waq h ASN 16 Cb 1.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 2waq h ASN 16 CO -0.09 0.00 -0.59 -0.33 -1.29 0.00 0.00 177.43 175.13 2waq h GLU 17 N 0.00 0.84 -0.17 0.81 5.08 -1.44 -3.22 114.58 116.48 2waq h GLU 17 Ca 0.01 -0.57 -0.20 0.00 -1.00 0.00 0.00 59.36 57.60 2waq h GLU 17 Cb 0.07 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2waq h GLU 17 CO -0.00 1.20 -0.66 0.28 -1.00 0.00 0.00 179.01 178.82 2waq h VAL 18 N 0.60 1.30 -0.96 3.13 2.07 -1.31 -3.26 116.25 117.82 2waq h VAL 18 Ca -0.00 -1.88 0.14 0.00 0.82 0.00 0.00 66.70 65.77 2waq h VAL 18 Cb 1.21 1.97 -0.09 0.00 -1.52 0.00 0.00 31.29 32.86 2waq h VAL 18 CO 0.13 0.59 0.59 0.15 0.02 0.00 0.00 177.57 179.05 2waq h PHE 19 N 0.46 1.05 0.55 1.57 3.57 -1.38 -2.43 116.94 120.33 2waq h PHE 19 Ca -0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2waq h PHE 19 Cb 1.29 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.71 2waq h PHE 19 CO 0.09 0.36 -0.26 0.82 -2.23 0.00 0.00 178.31 177.09 2waq h ILE 20 N 0.88 0.10 0.00 1.41 2.04 -1.59 -2.98 117.51 117.36 2waq h ILE 20 Ca 0.50 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2waq h ILE 20 Cb 0.58 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2waq h ILE 20 CO -0.30 0.02 0.00 0.77 0.00 0.00 0.00 178.15 178.64 2waq h SER 21 N -1.16 0.00 0.55 1.72 4.64 -1.59 0.33 113.55 118.04 2waq h SER 21 Ca -0.08 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.98 2waq h SER 21 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2waq h SER 21 CO 0.12 0.00 -1.18 -0.07 -0.87 0.00 0.00 176.83 174.83 2waq h LEU 22 N 0.00 0.47 -0.77 5.97 3.38 -1.48 -3.29 115.31 119.60 2waq h LEU 22 Ca 0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2waq h LEU 22 Cb 0.15 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2waq h LEU 22 CO 0.00 1.34 0.00 0.79 0.09 0.00 0.00 178.44 180.66 2waq n TRP 23 N -3.59 0.25 0.81 1.13 7.02 0.08 -3.72 117.44 119.42 2waq n TRP 23 Ca -0.08 -0.13 0.13 0.00 -1.02 0.00 0.00 57.50 56.40 2waq n TRP 23 Cb 0.98 0.00 0.49 0.00 -2.42 0.00 0.00 31.31 30.36 2waq n TRP 23 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 2waq n GLN 24 N 0.08 0.13 0.00 -0.99 7.27 -1.05 -4.37 117.38 118.45 2waq n GLN 24 Ca 0.09 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.26 2waq n GLN 24 Cb 0.19 -1.65 0.00 0.00 2.41 0.00 0.00 30.24 31.19 2waq n GLN 24 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2waq n ASN 25 N -1.88 0.00 0.00 1.69 4.13 -1.24 -5.04 115.26 112.92 2waq n ASN 25 Ca 0.06 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.55 2waq n ASN 25 Cb 0.39 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 2waq n ASN 25 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2waq n ARG 26 N -0.27 3.16 -3.98 3.52 0.63 -1.26 -5.05 116.66 113.41 2waq n ARG 26 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 2waq n ARG 26 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 2waq n ARG 26 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2waq s LEU 27 N 0.00 3.92 0.72 6.15 1.02 -1.26 -5.00 118.68 124.24 2waq s LEU 27 Ca 0.00 -0.20 -0.07 0.00 0.02 0.00 0.00 54.13 53.88 2waq s LEU 27 Cb 0.00 -2.49 0.08 0.00 0.02 0.00 0.00 46.19 43.80 2waq s LEU 27 CO 0.00 -0.13 1.03 0.42 0.02 0.00 0.00 176.35 177.69 2waq s THR 28 N -2.12 2.25 0.23 5.49 -4.23 -1.26 -4.88 115.64 111.11 2waq s THR 28 Ca 0.35 -0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 2waq s THR 28 Cb -0.08 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.98 2waq s THR 28 CO 0.27 0.00 1.74 0.03 -0.54 0.00 0.00 174.62 176.12 2waq h ARG 29 N -0.65 0.45 0.00 3.99 3.08 -2.00 -1.76 114.38 117.49 2waq h ARG 29 Ca -0.44 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 59.46 2waq h ARG 29 Cb 1.31 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2waq h ARG 29 CO 0.57 0.30 -0.62 1.88 -1.07 0.00 0.00 179.97 181.03 2waq h TYR 30 N 0.47 0.00 0.01 3.04 -1.99 -1.98 -2.38 116.97 114.13 2waq h TYR 30 Ca 0.37 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.90 2waq h TYR 30 Cb 0.50 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 2waq h TYR 30 CO -0.16 0.62 -0.89 0.93 -0.00 0.00 0.00 178.16 178.66 2waq h GLU 31 N 0.00 0.13 -0.18 4.88 5.08 -1.83 -1.38 114.58 121.29 2waq h GLU 31 Ca -0.01 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.00 2waq h GLU 31 Cb 1.47 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.78 2waq h GLU 31 CO 0.08 0.93 -0.68 0.82 -1.00 0.00 0.00 179.01 179.16 2waq h ILE 32 N 0.07 1.29 -0.36 3.13 2.04 -1.35 -3.20 117.51 119.12 2waq h ILE 32 Ca -0.04 -1.89 -0.06 0.00 1.00 0.00 0.00 64.86 63.88 2waq h ILE 32 Cb 1.53 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.52 2waq h ILE 32 CO 0.13 0.60 -0.03 0.00 0.00 0.00 0.00 178.15 178.85 2waq h ALA 33 N 0.57 1.27 -0.22 1.87 0.00 -1.36 -2.81 119.26 118.58 2waq h ALA 33 Ca -0.03 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 2waq h ALA 33 Cb 1.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2waq h ALA 33 CO 0.14 0.49 -0.28 -0.09 0.00 0.00 0.00 179.25 179.51 2waq h ARG 34 N 0.55 0.57 0.00 0.00 9.65 -1.33 -2.12 114.38 121.70 2waq h ARG 34 Ca 0.11 -0.32 -0.07 0.00 -1.10 0.00 0.00 59.98 58.60 2waq h ARG 34 Cb 0.40 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2waq h ARG 34 CO 0.02 0.92 -0.33 -0.39 2.80 0.00 0.00 179.97 182.99 2waq h VAL 35 N 0.25 0.95 -0.05 0.20 -1.51 -1.53 -0.26 116.25 114.30 2waq h VAL 35 Ca 0.03 -1.25 -0.15 0.00 -1.23 0.00 0.00 66.70 64.09 2waq h VAL 35 Cb 0.85 1.74 0.01 0.00 -2.13 0.00 0.00 31.29 31.75 2waq h VAL 35 CO 0.07 0.32 -0.56 0.40 -1.23 0.00 0.00 177.57 176.57 2waq h ILE 36 N 0.00 1.39 -0.75 7.19 1.08 -1.52 -2.66 117.51 122.25 2waq h ILE 36 Ca -0.00 -1.95 0.06 0.00 -0.39 0.00 0.00 64.86 62.58 2waq h ILE 36 Cb 0.71 2.38 -0.06 0.00 -3.07 0.00 0.00 36.82 36.78 2waq h ILE 36 CO 0.04 0.58 0.45 0.28 -0.69 0.00 0.00 178.15 178.80 2waq h SER 37 N 0.02 0.69 0.03 1.72 0.02 -0.99 -0.70 113.55 114.34 2waq h SER 37 Ca -0.05 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2waq h SER 37 Cb 1.23 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2waq h SER 37 CO 0.11 0.45 -0.02 0.00 -1.14 0.00 0.00 176.83 176.23 2waq h ALA 38 N 1.37 -0.05 -0.45 3.77 0.00 -1.13 -2.97 119.26 119.81 2waq h ALA 38 Ca 0.33 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2waq h ALA 38 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2waq h ALA 38 CO -0.17 -0.33 -0.09 -0.09 0.00 0.00 0.00 179.25 178.57 2waq h ARG 39 N -0.43 0.80 -0.49 0.00 9.65 -1.35 -2.63 114.38 119.93 2waq h ARG 39 Ca -0.00 -0.26 -0.06 0.00 -1.10 0.00 0.00 59.98 58.55 2waq h ARG 39 Cb 0.40 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 2waq h ARG 39 CO 0.01 0.87 0.04 0.00 2.80 0.00 0.00 179.97 183.69 2waq h ALA 40 N 1.17 1.15 0.00 2.80 0.00 -1.20 -1.69 119.26 121.49 2waq h ALA 40 Ca 0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2waq h ALA 40 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2waq h ALA 40 CO 0.04 0.55 -0.21 1.25 0.00 0.00 0.00 179.25 180.88 2waq h LEU 41 N 0.75 0.00 0.00 0.00 5.85 -1.33 -3.11 115.31 117.47 2waq h LEU 41 Ca 0.15 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2waq h LEU 41 Cb 0.39 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2waq h LEU 41 CO 0.01 0.21 -0.10 1.56 -0.34 0.00 0.00 178.44 179.77 2waq h GLN 42 N 0.00 0.00 -0.81 1.25 4.20 -1.06 -3.24 115.11 115.44 2waq h GLN 42 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2waq h GLN 42 Cb 0.76 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 2waq h GLN 42 CO 0.03 0.91 0.53 -0.07 -0.67 0.00 0.00 178.83 179.56 2waq h LEU 43 N -1.00 0.79 -0.11 1.46 3.38 -1.39 -0.57 115.31 117.87 2waq h LEU 43 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2waq h LEU 43 Cb 0.94 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2waq h LEU 43 CO -0.02 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.02 2waq n ALA 44 N -2.42 2.17 0.99 1.53 0.00 -1.17 -3.39 120.51 118.21 2waq n ALA 44 Ca 0.12 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2waq n ALA 44 Cb 0.21 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 2waq n ALA 44 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2waq n MET 45 N -2.09 1.11 0.00 0.00 2.81 -0.27 -4.95 117.12 113.74 2waq n MET 45 Ca 0.05 -0.90 0.00 0.00 -1.81 0.00 0.00 57.70 55.04 2waq n MET 45 Cb 0.37 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 2waq n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2waq n GLY 46 N 1.42 1.10 3.82 3.03 0.00 -0.94 -5.08 105.19 108.53 2waq n GLY 46 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2waq n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waq s ALA 47 N -1.40 3.45 0.28 4.61 0.00 -0.96 -5.02 121.76 122.73 2waq s ALA 47 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 2waq s ALA 47 Cb 0.00 -2.77 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 2waq s ALA 47 CO 0.00 0.35 1.04 -1.25 0.00 0.00 0.00 175.76 175.90 2waq s PRO 48 N -1.86 4.64 -0.11 0.00 0.04 -1.26 -4.58 135.00 131.87 2waq s PRO 48 Ca 0.41 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 2waq s PRO 48 Cb -0.17 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 2waq s PRO 48 CO 0.21 0.26 1.08 0.00 0.04 0.00 0.00 177.00 178.59 2waq s ALA 49 N -1.25 3.48 -0.20 8.56 0.00 -1.26 -4.99 121.76 126.11 2waq s ALA 49 Ca 0.45 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 2waq s ALA 49 Cb -0.28 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2waq s ALA 49 CO 0.36 -0.74 1.10 -0.51 0.00 0.00 0.00 175.76 175.97 2waq s LEU 50 N 2.32 4.14 -1.42 0.00 1.43 -1.26 -4.10 118.68 119.79 2waq s LEU 50 Ca 0.50 1.48 -0.05 0.00 -1.03 0.00 0.00 54.13 55.03 2waq s LEU 50 Cb -0.20 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.49 2waq s LEU 50 CO 0.17 -0.68 0.10 -0.38 0.23 0.00 0.00 176.35 175.79 2waq n ILE 51 N 5.26 -1.17 -3.86 -0.59 2.08 -1.26 -4.84 119.36 114.98 2waq n ILE 51 Ca 0.12 -0.48 -0.27 0.00 0.56 0.00 0.00 62.75 62.68 2waq n ILE 51 Cb 0.46 -1.12 -0.17 0.00 -0.75 0.00 0.00 39.64 38.06 2waq n ILE 51 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2waq s ASP 52 N -4.21 2.45 -0.40 4.38 1.11 -1.26 -5.03 116.67 113.72 2waq s ASP 52 Ca 0.07 -0.48 -0.28 0.00 0.18 0.00 0.00 52.55 52.04 2waq s ASP 52 Cb -0.04 -0.79 0.02 0.00 1.07 0.00 0.00 42.92 43.18 2waq s ASP 52 CO 0.94 -0.18 1.04 -0.63 1.18 0.00 0.00 175.17 177.53 2waq s ILE 53 N 1.73 4.42 -0.08 0.77 -1.09 -1.26 -4.92 121.20 120.77 2waq s ILE 53 Ca 0.02 1.33 -0.02 0.00 -2.23 0.00 0.00 60.65 59.76 2waq s ILE 53 Cb -0.14 -4.46 -0.02 0.00 -1.58 0.00 0.00 42.46 36.26 2waq s ILE 53 CO -0.07 -0.71 2.40 0.59 -1.23 0.00 0.00 174.94 175.91 2waq n ASN 54 N 7.21 5.57 -3.98 3.58 4.13 -1.26 -4.51 115.26 125.99 2waq n ASN 54 Ca 0.10 -2.57 -0.31 0.00 1.68 0.00 0.00 54.58 53.48 2waq n ASN 54 Cb 0.48 -1.19 -0.15 0.00 -1.54 0.00 0.00 39.78 37.39 2waq n ASN 54 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2waq s ASN 55 N 1.62 4.57 -1.36 6.41 0.01 -1.26 -4.80 114.94 120.13 2waq s ASN 55 Ca 0.23 -2.43 -0.05 0.00 -0.71 0.00 0.00 52.86 49.89 2waq s ASN 55 Cb 0.13 -1.60 0.02 0.00 0.41 0.00 0.00 41.25 40.22 2waq s ASN 55 CO -0.01 -0.33 0.90 -0.11 -1.51 0.00 0.00 177.10 176.04 2waq n LEU 56 N 3.88 -3.17 0.00 0.60 7.94 -1.26 -4.90 117.00 120.08 2waq n LEU 56 Ca 0.04 -0.73 0.00 0.00 -1.11 0.00 0.00 56.01 54.21 2waq n LEU 56 Cb 0.39 -2.78 0.00 0.00 0.53 0.00 0.00 43.42 41.56 2waq n LEU 56 CO 0.26 0.46 -0.27 -1.20 -1.11 0.00 0.00 177.39 175.52 2waq n SER 57 N -3.01 2.73 0.00 1.96 7.64 -1.26 -5.12 113.62 116.56 2waq n SER 57 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2waq n SER 57 Cb 0.62 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 2waq n SER 57 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2waq n SER 58 N -1.20 0.00 0.00 6.43 7.64 -1.26 -5.13 113.62 120.10 2waq n SER 58 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2waq n SER 58 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2waq n SER 58 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2waq n THR 59 N 0.00 0.00 -3.66 0.44 -1.04 -1.26 -5.10 114.28 103.66 2waq n THR 59 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2waq n THR 59 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 2waq n THR 59 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2waq s ASP 60 N 0.09 -0.42 0.54 8.00 1.01 -1.26 -4.89 116.67 119.74 2waq s ASP 60 Ca 0.00 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.34 2waq s ASP 60 Cb 0.00 1.45 0.00 0.00 1.01 0.00 0.00 42.92 45.38 2waq s ASP 60 CO 0.00 -0.23 0.00 0.52 0.21 0.00 0.00 175.17 175.67 2waq n VAL 61 N 5.30 -2.42 0.00 -1.27 0.31 -1.26 -4.63 118.33 114.36 2waq n VAL 61 Ca -0.10 1.26 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 2waq n VAL 61 Cb 0.50 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 2waq n VAL 61 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2waq n ILE 62 N -2.77 0.00 0.20 2.52 5.41 -1.26 -3.82 119.36 119.63 2waq n ILE 62 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.79 2waq n ILE 62 Cb 0.46 0.00 0.41 0.00 -0.71 0.00 0.00 39.64 39.80 2waq n ILE 62 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2waq h SER 63 N 0.00 0.00 -0.10 4.38 4.64 -1.97 0.51 113.55 121.01 2waq h SER 63 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2waq h SER 63 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2waq h SER 63 CO 0.00 0.33 0.00 0.40 -0.87 0.00 0.00 176.83 176.70 2waq h ILE 64 N 0.00 1.25 -0.74 0.95 2.04 -1.88 0.79 117.51 119.92 2waq h ILE 64 Ca -0.00 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2waq h ILE 64 Cb 0.66 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2waq h ILE 64 CO 0.04 0.22 0.34 0.00 0.00 0.00 0.00 178.15 178.75 2waq h ALA 65 N 0.74 1.20 -0.46 1.87 0.00 -1.77 -1.41 119.26 119.43 2waq h ALA 65 Ca 0.03 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2waq h ALA 65 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2waq h ALA 65 CO 0.00 0.60 -0.25 0.93 0.00 0.00 0.00 179.25 180.53 2waq h GLU 66 N 1.05 0.98 -0.10 0.00 5.08 0.10 -2.12 114.58 119.56 2waq h GLU 66 Ca 0.25 -0.44 -0.18 0.00 -1.00 0.00 0.00 59.36 58.00 2waq h GLU 66 Cb 0.13 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2waq h GLU 66 CO -0.03 1.11 -0.68 0.93 -1.00 0.00 0.00 179.01 179.34 2waq h GLU 67 N 0.83 0.44 0.00 2.33 4.39 -0.68 -2.75 114.58 119.14 2waq h GLU 67 Ca 0.10 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2waq h GLU 67 Cb 0.83 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2waq h GLU 67 CO 0.07 0.96 0.00 -0.85 -1.16 0.00 0.00 179.01 178.03 2waq n GLU 68 N -3.87 0.07 -0.03 2.33 0.28 -0.55 -2.34 120.64 116.53 2waq n GLU 68 Ca -0.04 0.10 -0.15 0.00 -0.16 0.00 0.00 57.16 56.90 2waq n GLU 68 Cb 0.68 -1.59 -0.12 0.00 1.43 0.00 0.00 31.44 31.84 2waq n GLU 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2waq h PHE 69 N 0.00 0.20 -0.39 -1.84 3.57 -1.17 -2.96 116.94 114.35 2waq h PHE 69 Ca 0.00 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 2waq h PHE 69 Cb 0.52 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 2waq h PHE 69 CO 0.00 0.96 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.92 2waq h ARG 70 N -0.61 0.64 0.00 1.11 1.12 -1.47 -2.33 114.38 112.84 2waq h ARG 70 Ca -0.03 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 2waq h ARG 70 Cb 1.03 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 2waq h ARG 70 CO 0.04 0.68 0.00 -0.09 -3.11 0.00 0.00 179.97 177.50 2waq h ARG 71 N 0.60 0.00 -1.73 0.20 9.65 -1.58 -3.47 114.38 118.05 2waq h ARG 71 Ca 0.12 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.86 2waq h ARG 71 Cb 0.43 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.02 2waq h ARG 71 CO 0.02 0.00 -0.21 0.41 2.80 0.00 0.00 179.97 182.99 2waq n GLY 72 N -0.19 0.23 0.00 2.80 0.00 -0.88 -4.96 105.19 102.20 2waq n GLY 72 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 46.02 45.59 2waq n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2waq n VAL 73 N -3.74 0.00 -3.11 1.61 0.24 -1.12 -4.89 118.33 107.33 2waq n VAL 73 Ca -0.05 -0.20 -0.39 0.00 -2.04 0.00 0.00 64.34 61.66 2waq n VAL 73 Cb 0.55 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.86 2waq n VAL 73 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2waq s LEU 74 N -2.60 4.38 -1.21 1.34 0.05 -1.24 -4.87 118.68 114.53 2waq s LEU 74 Ca 0.05 1.21 -0.10 0.00 0.05 0.00 0.00 54.13 55.33 2waq s LEU 74 Cb 0.10 -3.03 0.20 0.00 -2.05 0.00 0.00 46.19 41.41 2waq s LEU 74 CO 0.52 -0.00 1.57 -0.81 -0.55 0.00 0.00 176.35 177.08 2waq n PRO 75 N 3.18 3.64 -4.14 1.48 -0.04 -1.26 -4.81 135.00 133.05 2waq n PRO 75 Ca -0.04 -3.90 -0.33 0.00 -0.04 0.00 0.00 63.50 59.19 2waq n PRO 75 Cb 0.51 -2.86 -0.16 0.00 -0.04 0.00 0.00 33.50 30.95 2waq n PRO 75 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2waq s ILE 76 N 0.16 2.24 -0.28 0.52 1.01 -1.26 -5.11 121.20 118.48 2waq s ILE 76 Ca 0.39 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 2waq s ILE 76 Cb 0.02 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2waq s ILE 76 CO 0.01 0.53 0.16 -0.89 0.00 0.00 0.00 174.94 174.75 2waq s THR 77 N 1.27 5.03 -0.52 2.92 2.01 -1.26 -4.65 115.64 120.43 2waq s THR 77 Ca 0.04 0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.82 2waq s THR 77 Cb -0.13 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 69.00 2waq s THR 77 CO -0.11 0.23 0.91 -0.63 -0.69 0.00 0.00 174.62 174.34 2waq s ILE 78 N 1.71 4.45 -0.13 1.82 1.09 -1.26 -4.83 121.20 124.05 2waq s ILE 78 Ca 0.07 0.33 -0.29 0.00 -1.10 0.00 0.00 60.65 59.65 2waq s ILE 78 Cb -0.16 -4.49 -0.01 0.00 -1.06 0.00 0.00 42.46 36.74 2waq s ILE 78 CO 0.09 -1.02 1.07 -0.13 -0.10 0.00 0.00 174.94 174.85 2waq s ARG 79 N 3.79 4.36 -0.38 2.79 0.52 -1.26 -2.08 118.95 126.69 2waq s ARG 79 Ca 0.31 1.45 -0.04 0.00 -0.52 0.00 0.00 55.73 56.93 2waq s ARG 79 Cb -0.12 -3.58 0.08 0.00 0.52 0.00 0.00 34.95 31.85 2waq s ARG 79 CO 0.20 -0.44 0.16 1.03 0.02 0.00 0.00 175.30 176.27 2waq s ARG 80 N 2.44 2.27 -0.66 3.54 0.52 0.21 -4.97 118.95 122.30 2waq s ARG 80 Ca 0.49 -1.57 -0.20 0.00 -0.52 0.00 0.00 55.73 53.94 2waq s ARG 80 Cb -0.19 -3.51 0.10 0.00 0.52 0.00 0.00 34.95 31.87 2waq s ARG 80 CO 0.15 -0.91 0.84 1.03 0.02 0.00 0.00 175.30 176.43 2waq s ARG 81 N 1.24 3.15 0.81 3.54 0.52 -1.26 -0.47 118.95 126.47 2waq s ARG 81 Ca 0.03 -1.25 -0.11 0.00 -0.52 0.00 0.00 55.73 53.88 2waq s ARG 81 Cb -0.22 -4.33 0.08 0.00 0.52 0.00 0.00 34.95 31.00 2waq s ARG 81 CO -0.02 -1.65 1.12 -0.51 0.02 0.00 0.00 175.30 174.26 2waq s LEU 82 N 3.04 3.02 0.24 2.53 1.43 -0.63 -4.92 118.68 123.40 2waq s LEU 82 Ca 0.17 1.99 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 2waq s LEU 82 Cb -0.19 -4.54 0.97 0.00 0.03 0.00 0.00 46.19 42.45 2waq s LEU 82 CO 0.05 -2.36 1.66 -0.81 0.23 0.00 0.00 176.35 175.13 2waq n PRO 83 N -3.61 0.16 0.30 1.29 -0.04 -1.26 -2.28 135.00 129.57 2waq n PRO 83 Ca 0.10 0.46 0.19 0.00 -0.04 0.00 0.00 63.50 64.21 2waq n PRO 83 Cb 0.52 -1.85 0.91 0.00 -0.04 0.00 0.00 33.50 33.04 2waq n PRO 83 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2waq h ASN 84 N 0.00 0.00 0.00 3.54 2.35 -2.02 -3.45 115.58 116.00 2waq h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2waq h ASN 84 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2waq h ASN 84 CO 0.00 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 2waq n GLY 85 N -0.48 1.75 3.75 2.83 0.00 -0.96 -5.04 105.19 107.03 2waq n GLY 85 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2waq n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2waq s LYS 86 N -0.62 4.61 -0.14 1.61 2.47 -1.26 -4.85 119.74 121.54 2waq s LYS 86 Ca 0.00 1.77 -0.00 0.00 -1.56 0.00 0.00 55.97 56.17 2waq s LYS 86 Cb 0.00 -3.24 -0.01 0.00 -1.46 0.00 0.00 37.83 33.12 2waq s LYS 86 CO 0.00 0.12 -0.13 0.42 0.16 0.00 0.00 175.35 175.92 2waq s ILE 87 N -0.61 3.01 -0.19 5.43 -1.09 -1.26 -1.61 121.20 124.89 2waq s ILE 87 Ca 0.48 -0.67 -0.09 0.00 -2.23 0.00 0.00 60.65 58.14 2waq s ILE 87 Cb -0.31 -2.27 -0.05 0.00 -1.58 0.00 0.00 42.46 38.25 2waq s ILE 87 CO 0.38 0.51 0.12 -0.63 -1.23 0.00 0.00 174.94 174.09 2waq s ILE 88 N 0.54 5.32 -0.18 2.92 1.09 0.38 -4.94 121.20 126.33 2waq s ILE 88 Ca -0.08 0.16 -0.01 0.00 -1.10 0.00 0.00 60.65 59.62 2waq s ILE 88 Cb -0.16 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 2waq s ILE 88 CO 0.04 0.47 -0.13 -0.76 -0.10 0.00 0.00 174.94 174.45 2waq s LEU 89 N 0.16 2.51 0.60 2.97 1.43 -1.26 0.65 118.68 125.74 2waq s LEU 89 Ca 0.08 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 2waq s LEU 89 Cb -0.11 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.52 2waq s LEU 89 CO -0.01 0.03 0.93 -0.76 0.23 0.00 0.00 176.35 176.77 2waq s LEU 90 N 1.13 3.20 0.00 1.79 1.43 -0.88 -4.95 118.68 120.40 2waq s LEU 90 Ca 0.01 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2waq s LEU 90 Cb -0.14 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.42 2waq s LEU 90 CO -0.05 -1.07 0.00 -1.54 0.23 0.00 0.00 176.35 173.92 2waq n SER 91 N -2.64 0.00 0.00 2.29 3.41 -1.26 -4.33 113.62 111.09 2waq n SER 91 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2waq n SER 91 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2waq n SER 91 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06