#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2waq s TYR 2 N 0.00 3.28 -0.10 2.03 2.02 -1.26 -0.77 117.35 122.56 2waq s TYR 2 Ca 0.00 0.53 -0.05 0.00 -0.37 0.00 0.00 57.07 57.19 2waq s TYR 2 Cb 0.00 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 2waq s TYR 2 CO 0.00 -0.19 0.09 0.15 -1.57 0.00 0.00 175.55 174.03 2waq s LYS 3 N 1.96 3.26 -0.40 -0.62 1.02 0.51 -4.91 119.74 120.55 2waq s LYS 3 Ca 0.18 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 2waq s LYS 3 Cb -0.15 -3.03 0.05 0.00 -0.52 0.00 0.00 37.83 34.18 2waq s LYS 3 CO 0.09 0.74 0.23 -1.17 -0.92 0.00 0.00 175.35 174.33 2waq s LEU 4 N -1.05 4.92 -0.21 3.17 2.96 -1.26 -1.04 118.68 126.17 2waq s LEU 4 Ca 0.15 -1.20 -0.03 0.00 -0.22 0.00 0.00 54.13 52.83 2waq s LEU 4 Cb -0.12 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 2waq s LEU 4 CO 0.05 -0.46 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.93 2waq s ILE 5 N 1.51 3.25 -0.34 6.68 1.01 -0.88 -4.91 121.20 127.52 2waq s ILE 5 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 2waq s ILE 5 Cb -0.21 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.82 2waq s ILE 5 CO 0.05 0.45 0.16 -0.54 0.00 0.00 0.00 174.94 175.05 2waq s LYS 6 N 1.30 3.00 0.13 2.79 1.02 -1.26 -0.21 119.74 126.52 2waq s LYS 6 Ca 0.04 -0.95 0.04 0.00 0.02 0.00 0.00 55.97 55.12 2waq s LYS 6 Cb -0.14 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 2waq s LYS 6 CO -0.03 -0.57 -0.11 0.00 -0.92 0.00 0.00 175.35 173.73 2waq s ALA 7 N 1.54 1.37 -0.11 5.17 0.00 -1.17 -4.98 121.76 123.59 2waq s ALA 7 Ca 0.02 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 2waq s ALA 7 Cb -0.18 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2waq s ALA 7 CO 0.05 -0.06 -0.06 1.03 0.00 0.00 0.00 175.76 176.72 2waq s ARG 8 N -3.42 3.19 0.22 0.00 0.52 -1.26 -2.48 118.95 115.73 2waq s ARG 8 Ca 0.13 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2waq s ARG 8 Cb 0.01 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 2waq s ARG 8 CO 0.01 0.44 0.17 -1.54 0.02 0.00 0.00 175.30 174.40 2waq s SER 9 N -0.21 0.29 -0.26 0.23 1.04 -0.84 -5.01 113.70 108.95 2waq s SER 9 Ca 0.03 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.07 2waq s SER 9 Cb -0.13 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.45 2waq s SER 9 CO 0.03 -0.89 -0.08 -0.63 0.98 0.00 0.00 173.24 172.65 2waq s ILE 10 N -4.07 2.55 -0.05 -1.02 1.09 -1.26 -0.36 121.20 118.08 2waq s ILE 10 Ca 0.38 -1.36 -0.11 0.00 -1.10 0.00 0.00 60.65 58.46 2waq s ILE 10 Cb 0.06 -2.41 -0.05 0.00 -1.06 0.00 0.00 42.46 39.00 2waq s ILE 10 CO 0.13 0.05 0.28 0.54 -0.10 0.00 0.00 174.94 175.84 2waq s VAL 11 N 1.21 5.27 -0.02 2.92 0.11 0.10 -4.88 120.40 125.11 2waq s VAL 11 Ca -0.05 0.50 -0.18 0.00 -2.93 0.00 0.00 61.98 59.33 2waq s VAL 11 Cb -0.19 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.05 2waq s VAL 11 CO -0.04 0.58 0.50 -0.60 -3.33 0.00 0.00 175.10 172.20 2waq s ARG 12 N -1.12 4.18 -0.28 1.54 3.52 -1.26 -1.38 118.95 124.15 2waq s ARG 12 Ca 0.20 0.56 0.02 0.00 -0.13 0.00 0.00 55.73 56.38 2waq s ARG 12 Cb -0.14 -3.31 0.08 0.00 -1.56 0.00 0.00 34.95 30.02 2waq s ARG 12 CO 0.09 0.47 -0.01 0.42 -0.81 0.00 0.00 175.30 175.46 2waq s ILE 13 N -0.45 1.79 0.67 4.11 1.01 0.76 -4.94 121.20 124.14 2waq s ILE 13 Ca 0.27 -1.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 2waq s ILE 13 Cb -0.17 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2waq s ILE 13 CO 0.15 -0.31 1.12 -2.16 0.00 0.00 0.00 174.94 173.74 2waq s PRO 14 N 1.22 2.73 0.63 2.79 0.04 -1.26 -1.79 135.00 139.36 2waq s PRO 14 Ca 0.01 1.42 0.26 0.00 0.04 0.00 0.00 61.00 62.73 2waq s PRO 14 Cb -0.19 -1.94 1.33 0.00 0.04 0.00 0.00 34.50 33.74 2waq s PRO 14 CO -0.09 -1.31 1.75 -1.35 0.04 0.00 0.00 177.00 176.04 2waq h PRO 15 N -0.01 0.00 0.00 0.56 0.11 -1.96 0.10 132.00 130.80 2waq h PRO 15 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2waq h PRO 15 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2waq h PRO 15 CO 0.54 0.00 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.38 2waq h ASN 16 N 0.00 0.00 -1.02 -2.05 4.21 -2.03 -3.28 115.58 111.41 2waq h ASN 16 Ca 0.13 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.09 2waq h ASN 16 Cb 1.22 0.00 -0.43 0.00 -1.12 0.00 0.00 38.32 37.99 2waq h ASN 16 CO -0.00 0.03 -0.80 -0.62 -1.29 0.00 0.00 177.43 174.75 2waq n GLU 17 N -3.93 3.46 -3.46 0.81 1.02 0.36 -5.02 120.64 113.88 2waq n GLU 17 Ca -0.03 -4.26 -0.38 0.00 -0.02 0.00 0.00 57.16 52.47 2waq n GLU 17 Cb 0.12 -2.23 -0.06 0.00 -0.02 0.00 0.00 31.44 29.25 2waq n GLU 17 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2waq s PHE 18 N -3.58 3.72 0.00 -0.32 2.99 -1.24 -3.94 117.98 115.61 2waq s PHE 18 Ca 0.49 1.02 0.00 0.00 0.00 0.00 0.00 56.93 58.44 2waq s PHE 18 Cb 0.40 -2.34 0.00 0.00 0.00 0.00 0.00 43.02 41.09 2waq s PHE 18 CO -0.04 0.60 0.00 0.41 -0.00 0.00 0.00 175.22 176.19 2waq n GLY 19 N 1.92 0.77 3.70 4.36 0.00 -1.26 -5.06 105.19 109.63 2waq n GLY 19 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2waq n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waq s LYS 20 N -0.39 2.94 -0.02 1.61 1.02 -1.25 -5.06 119.74 118.58 2waq s LYS 20 Ca 0.00 -0.49 -0.36 0.00 0.02 0.00 0.00 55.97 55.14 2waq s LYS 20 Cb 0.00 -2.77 -0.15 0.00 -0.52 0.00 0.00 37.83 34.39 2waq s LYS 20 CO 0.00 0.67 1.60 -0.35 -0.92 0.00 0.00 175.35 176.35 2waq n PRO 21 N 1.70 1.60 -0.03 -1.68 -0.04 -1.26 -4.87 135.00 130.42 2waq n PRO 21 Ca -0.16 0.58 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 2waq n PRO 21 Cb 0.53 -2.30 0.26 0.00 -0.04 0.00 0.00 33.50 31.95 2waq n PRO 21 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2waq h LEU 22 N 6.44 0.56 -1.17 1.53 4.07 -1.97 -3.03 115.31 121.74 2waq h LEU 22 Ca -0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.37 2waq h LEU 22 Cb 1.30 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.86 2waq h LEU 22 CO 0.88 0.63 0.44 0.78 -1.08 0.00 0.00 178.44 180.09 2waq h ASN 23 N 0.57 0.89 -0.27 -0.43 2.35 -1.93 0.61 115.58 117.37 2waq h ASN 23 Ca 0.12 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 2waq h ASN 23 Cb 0.35 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2waq h ASN 23 CO 0.01 0.69 -0.20 -0.33 -1.65 0.00 0.00 177.43 175.95 2waq h GLU 24 N 1.02 0.74 -0.29 0.81 5.08 -1.92 -2.16 114.58 117.85 2waq h GLU 24 Ca 0.27 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2waq h GLU 24 Cb -0.03 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2waq h GLU 24 CO -0.05 0.88 -0.33 0.82 -1.00 0.00 0.00 179.01 179.33 2waq h ILE 25 N 0.65 1.30 0.00 3.13 1.08 -1.39 -2.58 117.51 119.69 2waq h ILE 25 Ca 0.10 -1.51 -0.07 0.00 -0.39 0.00 0.00 64.86 62.99 2waq h ILE 25 Cb 0.69 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 2waq h ILE 25 CO 0.05 0.49 -0.32 0.00 -0.69 0.00 0.00 178.15 177.68 2waq h ALA 26 N 0.70 1.23 0.01 1.87 0.00 -0.85 -2.75 119.26 119.47 2waq h ALA 26 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2waq h ALA 26 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2waq h ALA 26 CO 0.08 0.40 -0.01 1.25 0.00 0.00 0.00 179.25 180.97 2waq h LEU 27 N 0.00 -0.02 -1.20 0.00 6.46 -1.35 -3.15 115.31 116.05 2waq h LEU 27 Ca -0.00 -0.49 0.08 0.00 -0.12 0.00 0.00 57.88 57.35 2waq h LEU 27 Cb 0.67 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.54 2waq h LEU 27 CO 0.04 0.72 0.57 0.78 -0.62 0.00 0.00 178.44 179.93 2waq h ASN 28 N -0.99 0.84 -0.03 1.25 4.21 -1.52 0.26 115.58 119.59 2waq h ASN 28 Ca -0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2waq h ASN 28 Cb 0.50 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 2waq h ASN 28 CO 0.00 0.52 0.00 -0.62 -1.29 0.00 0.00 177.43 176.05 2waq n GLU 29 N -4.50 1.39 -0.00 0.81 1.02 -1.04 -1.73 120.64 116.59 2waq n GLU 29 Ca 0.14 -0.58 0.06 0.00 -0.02 0.00 0.00 57.16 56.76 2waq n GLU 29 Cb 0.24 -1.46 -0.08 0.00 -0.02 0.00 0.00 31.44 30.12 2waq n GLU 29 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2waq n LEU 30 N -0.28 0.12 0.09 -4.62 4.32 -0.43 -4.26 117.00 111.95 2waq n LEU 30 Ca 0.20 -0.12 -0.06 0.00 -0.02 0.00 0.00 56.01 56.02 2waq n LEU 30 Cb 0.24 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.02 2waq n LEU 30 CO 0.16 0.03 0.26 0.03 -1.22 0.00 0.00 177.39 176.65 2waq h ARG 31 N 0.00 0.02 -0.00 3.23 3.08 -0.35 -1.89 114.38 118.48 2waq h ARG 31 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2waq h ARG 31 Cb 0.47 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2waq h ARG 31 CO 0.00 0.88 -0.13 1.04 -1.07 0.00 0.00 179.97 180.69 2waq n GLN 32 N -3.52 0.10 0.00 0.04 6.02 -0.70 -3.47 117.38 115.84 2waq n GLN 32 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2waq n GLN 32 Cb 0.83 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.59 2waq n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2waq n GLN 33 N -1.43 0.55 0.00 -1.09 6.02 -1.22 -4.92 117.38 115.30 2waq n GLN 33 Ca 0.08 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2waq n GLN 33 Cb 0.33 -0.73 0.00 0.00 1.02 0.00 0.00 30.24 30.86 2waq n GLN 33 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2waq n TYR 34 N -0.15 0.00 -1.62 1.08 4.01 -0.71 -5.02 117.16 114.74 2waq n TYR 34 Ca 0.00 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.25 2waq n TYR 34 Cb 0.06 0.23 -0.05 0.00 -0.31 0.00 0.00 39.34 39.27 2waq n TYR 34 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2waq n GLN 35 N -2.12 1.58 -0.76 -0.72 6.02 -1.23 -1.69 117.38 118.46 2waq n GLN 35 Ca 0.00 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 2waq n GLN 35 Cb 0.06 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.07 2waq n GLN 35 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2waq n GLU 36 N 2.79 -0.74 -2.92 -1.09 1.02 0.16 -4.96 120.64 114.91 2waq n GLU 36 Ca 0.17 0.19 -0.18 0.00 -0.02 0.00 0.00 57.16 57.32 2waq n GLU 36 Cb 0.24 -4.40 0.02 0.00 -0.02 0.00 0.00 31.44 27.27 2waq n GLU 36 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2waq s LYS 37 N -1.21 2.76 -0.20 3.49 1.02 -0.68 -4.88 119.74 120.04 2waq s LYS 37 Ca 0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 54.84 2waq s LYS 37 Cb 0.00 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 2waq s LYS 37 CO 0.00 -0.39 -0.05 0.42 -0.92 0.00 0.00 175.35 174.41 2waq s ILE 38 N -2.46 3.39 -0.12 2.17 1.01 -1.26 -3.47 121.20 120.46 2waq s ILE 38 Ca 0.56 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 2waq s ILE 38 Cb -0.10 -2.52 0.04 0.00 0.01 0.00 0.00 42.46 39.88 2waq s ILE 38 CO 0.34 0.45 -0.03 -0.76 0.00 0.00 0.00 174.94 174.94 2waq s LEU 39 N 1.18 1.09 0.53 2.97 1.02 -1.06 -4.72 118.68 119.70 2waq s LEU 39 Ca 0.02 -0.40 0.25 0.00 0.02 0.00 0.00 54.13 54.02 2waq s LEU 39 Cb -0.14 -0.69 1.40 0.00 0.02 0.00 0.00 46.19 46.78 2waq s LEU 39 CO -0.01 -0.19 2.02 0.11 0.02 0.00 0.00 176.35 178.30 2waq h LYS 40 N 8.22 0.00 -0.00 1.70 1.57 -1.94 0.90 116.57 127.03 2waq h LYS 40 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2waq h LYS 40 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2waq h LYS 40 CO 0.35 0.00 -0.01 -0.25 -0.57 0.00 0.00 179.45 178.97 2waq n ASP 41 N -4.34 0.41 0.06 0.86 9.92 -1.26 -4.27 116.55 117.92 2waq n ASP 41 Ca 0.08 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.26 2waq n ASP 41 Cb 0.53 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 2waq n ASP 41 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2waq n LEU 42 N -0.70 0.34 0.00 0.64 4.32 0.24 -5.17 117.00 116.66 2waq n LEU 42 Ca 0.22 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 2waq n LEU 42 Cb 0.19 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2waq n LEU 42 CO 0.18 -0.56 0.00 0.61 -1.22 0.00 0.00 177.39 176.40 2waq n GLY 43 N 2.53 0.30 3.43 -0.72 0.00 0.29 -4.64 105.19 106.38 2waq n GLY 43 Ca 0.00 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.66 2waq n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2waq s LEU 44 N 0.00 4.76 -0.39 0.99 1.02 -1.04 -2.56 118.68 121.45 2waq s LEU 44 Ca 0.00 -1.20 -0.29 0.00 0.02 0.00 0.00 54.13 52.66 2waq s LEU 44 Cb 0.00 -2.38 0.02 0.00 0.02 0.00 0.00 46.19 43.85 2waq s LEU 44 CO 0.00 -1.31 1.10 0.54 0.02 0.00 0.00 176.35 176.69 2waq s VAL 45 N 3.53 4.37 -0.06 -1.59 0.11 -1.23 -1.34 120.40 124.19 2waq s VAL 45 Ca 0.19 1.48 -0.25 0.00 -2.93 0.00 0.00 61.98 60.48 2waq s VAL 45 Cb -0.19 -4.50 -0.25 0.00 -1.53 0.00 0.00 36.38 29.92 2waq s VAL 45 CO 0.08 -0.73 0.98 -0.07 -3.33 0.00 0.00 175.10 172.04 2waq h LEU 46 N 10.61 0.23 -7.74 2.54 4.07 -1.44 0.46 115.31 124.03 2waq h LEU 46 Ca -0.22 -0.82 -0.12 0.00 0.08 0.00 0.00 57.88 56.80 2waq h LEU 46 Cb 1.06 -0.07 -0.18 0.00 1.08 0.00 0.00 40.66 42.55 2waq h LEU 46 CO 1.07 1.02 -0.42 0.00 -1.08 0.00 0.00 178.44 179.03 2waq s ALA 47 N -2.94 -0.35 -0.23 1.53 0.00 -1.24 -4.14 121.76 114.38 2waq s ALA 47 Ca -0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 2waq s ALA 47 Cb 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 2waq s ALA 47 CO 0.75 -0.31 -0.04 0.42 0.00 0.00 0.00 175.76 176.58 2waq s ILE 48 N -2.16 3.34 0.44 0.00 -1.09 -1.26 -2.64 121.20 117.83 2waq s ILE 48 Ca -0.08 -0.59 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 2waq s ILE 48 Cb -0.03 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 2waq s ILE 48 CO -0.02 0.36 0.03 -0.76 -1.23 0.00 0.00 174.94 173.32 2waq s LEU 49 N 1.46 2.42 -0.98 2.97 1.02 0.37 -4.90 118.68 121.04 2waq s LEU 49 Ca 0.05 -1.53 -0.09 0.00 0.02 0.00 0.00 54.13 52.57 2waq s LEU 49 Cb -0.15 -0.65 -0.02 0.00 0.02 0.00 0.00 46.19 45.38 2waq s LEU 49 CO -0.03 -0.71 0.79 0.59 0.02 0.00 0.00 176.35 177.01 2waq n ASN 50 N -1.11 -6.32 -4.67 2.29 3.02 -1.26 -1.12 115.26 106.09 2waq n ASN 50 Ca -0.11 -0.68 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 2waq n ASN 50 Cb 0.67 -4.25 -0.02 0.00 -0.61 0.00 0.00 39.78 35.57 2waq n ASN 50 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2waq s VAL 51 N -3.27 4.31 -0.30 2.41 0.11 -1.26 -4.10 120.40 118.29 2waq s VAL 51 Ca 0.30 1.60 -0.03 0.00 -2.93 0.00 0.00 61.98 60.93 2waq s VAL 51 Cb -0.08 -4.03 0.10 0.00 -1.53 0.00 0.00 36.38 30.84 2waq s VAL 51 CO 0.80 -0.09 0.13 -0.54 -3.33 0.00 0.00 175.10 172.07 2waq s LYS 52 N 3.00 0.36 -0.07 1.54 1.02 -1.18 -5.00 119.74 119.40 2waq s LYS 52 Ca 0.54 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.71 2waq s LYS 52 Cb -0.22 -1.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2waq s LYS 52 CO 0.17 -1.03 0.19 0.99 -0.92 0.00 0.00 175.35 174.75 2waq s THR 53 N 1.86 5.42 0.21 2.17 2.01 -1.26 -2.70 115.64 123.34 2waq s THR 53 Ca 0.10 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2waq s THR 53 Cb -0.17 -3.48 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 2waq s THR 53 CO -0.30 0.54 1.04 -0.94 -0.69 0.00 0.00 174.62 174.27 2waq s SER 54 N -1.24 7.39 0.25 3.53 1.04 -1.03 -4.97 113.70 118.67 2waq s SER 54 Ca 0.19 2.06 0.10 0.00 0.48 0.00 0.00 55.95 58.78 2waq s SER 54 Cb -0.13 -2.61 0.27 0.00 0.10 0.00 0.00 66.02 63.65 2waq s SER 54 CO 0.09 -0.09 1.56 -0.33 0.98 0.00 0.00 173.24 175.45 2waq h GLU 55 N 4.61 0.00 -5.53 4.02 5.08 -1.98 -3.43 114.58 117.34 2waq h GLU 55 Ca -0.45 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.31 2waq h GLU 55 Cb 1.21 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 2waq h GLU 55 CO 0.70 0.68 -0.33 -1.21 -1.00 0.00 0.00 179.01 177.84 2waq s GLU 56 N -3.47 4.17 0.03 2.33 2.02 -1.26 -5.09 118.70 117.43 2waq s GLU 56 Ca -0.01 0.09 0.08 0.00 0.02 0.00 0.00 54.97 55.15 2waq s GLU 56 Cb 0.12 -3.39 -0.02 0.00 0.10 0.00 0.00 34.13 30.94 2waq s GLU 56 CO 0.77 0.32 -0.23 0.20 0.02 0.00 0.00 175.26 176.34 2waq s GLY 57 N 0.23 1.20 0.15 -1.39 0.00 -1.26 -4.68 107.32 101.57 2waq s GLY 57 Ca 0.17 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.49 2waq s GLY 57 CO 0.04 -0.99 1.03 -0.42 0.00 0.00 0.00 173.10 172.76 2waq s ILE 58 N -0.73 4.16 -0.18 0.90 1.09 -0.93 -4.74 121.20 120.76 2waq s ILE 58 Ca 0.09 1.85 -0.02 0.00 -1.10 0.00 0.00 60.65 61.47 2waq s ILE 58 Cb -0.09 -4.18 -0.01 0.00 -1.06 0.00 0.00 42.46 37.12 2waq s ILE 58 CO 0.01 0.31 -0.10 -0.22 -0.10 0.00 0.00 174.94 174.85 2waq s LEU 59 N -0.28 2.71 0.56 2.97 0.20 -1.26 -0.53 118.68 123.05 2waq s LEU 59 Ca 0.48 -0.41 0.05 0.00 0.69 0.00 0.00 54.13 54.94 2waq s LEU 59 Cb -0.26 -1.65 0.06 0.00 -0.43 0.00 0.00 46.19 43.90 2waq s LEU 59 CO 0.32 0.05 0.77 0.54 -0.29 0.00 0.00 176.35 177.74 2waq s VAL 60 N 1.06 2.50 -0.01 1.68 0.11 -1.26 -5.07 120.40 119.41 2waq s VAL 60 Ca 0.00 -0.84 -0.02 0.00 -2.93 0.00 0.00 61.98 58.20 2waq s VAL 60 Cb -0.15 -2.67 -0.01 0.00 -1.53 0.00 0.00 36.38 32.03 2waq s VAL 60 CO -0.02 0.00 0.26 -0.26 -3.33 0.00 0.00 175.10 171.75 2waq h PHE 61 N 0.13 -0.07 -0.11 1.54 -1.00 -2.00 -3.38 116.94 112.06 2waq h PHE 61 Ca -0.37 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.44 2waq h PHE 61 Cb 1.28 0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.86 2waq h PHE 61 CO 0.28 -0.04 0.15 0.78 -1.61 0.00 0.00 178.31 177.87 2waq h GLY 62 N -0.25 0.00 -6.11 -1.45 0.00 -2.02 -3.40 103.07 89.84 2waq h GLY 62 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.84 2waq h GLY 62 CO 0.01 0.00 -0.80 -0.35 0.00 0.00 0.00 176.54 175.40 2waq s ASP 63 N -5.67 1.60 0.10 0.19 2.15 -1.26 -5.03 116.67 108.74 2waq s ASP 63 Ca -0.05 -0.25 0.24 0.00 0.43 0.00 0.00 52.55 52.93 2waq s ASP 63 Cb 0.14 -0.71 0.94 0.00 -0.30 0.00 0.00 42.92 42.99 2waq s ASP 63 CO 0.51 -0.02 1.74 0.61 -0.17 0.00 0.00 175.17 177.84 2waq n GLY 64 N 4.09 -1.39 3.75 2.66 0.00 -1.26 -4.22 105.19 108.82 2waq n GLY 64 Ca -0.21 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2waq n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2waq s ALA 65 N -3.08 2.68 0.21 4.61 0.00 -1.26 -4.89 121.76 120.03 2waq s ALA 65 Ca 0.10 1.19 -0.24 0.00 0.00 0.00 0.00 51.96 53.01 2waq s ALA 65 Cb 0.13 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 2waq s ALA 65 CO 0.46 -1.29 0.79 0.95 0.00 0.00 0.00 175.76 176.67 2waq s THR 66 N -1.41 4.40 -0.66 0.00 -4.23 -0.74 -4.57 115.64 108.43 2waq s THR 66 Ca 0.74 1.60 0.03 0.00 -1.18 0.00 0.00 61.69 62.88 2waq s THR 66 Cb -0.36 -4.04 0.16 0.00 1.34 0.00 0.00 72.50 69.60 2waq s THR 66 CO 0.41 0.37 0.44 -0.31 -0.54 0.00 0.00 174.62 174.99 2waq s TYR 67 N -1.34 3.46 0.25 3.99 2.02 0.31 -0.17 117.35 125.86 2waq s TYR 67 Ca 0.40 -3.18 -0.20 0.00 -0.37 0.00 0.00 57.07 53.73 2waq s TYR 67 Cb -0.20 -2.87 -0.09 0.00 -0.40 0.00 0.00 41.96 38.40 2waq s TYR 67 CO 0.24 -0.67 0.76 -1.01 -1.57 0.00 0.00 175.55 173.30 2waq s HIS 68 N -0.88 3.62 0.53 2.71 3.76 -0.48 -2.18 115.29 122.36 2waq s HIS 68 Ca 0.21 1.43 -0.20 0.00 -0.15 0.00 0.00 55.06 56.35 2waq s HIS 68 Cb -0.14 -2.65 -0.07 0.00 1.11 0.00 0.00 32.58 30.83 2waq s HIS 68 CO -0.09 0.29 1.10 -1.21 -0.85 0.00 0.00 174.74 173.98 2waq s GLU 69 N -2.10 3.50 -0.10 1.40 2.02 -1.26 0.01 118.70 122.16 2waq s GLU 69 Ca 0.45 1.51 -0.09 0.00 0.02 0.00 0.00 54.97 56.86 2waq s GLU 69 Cb -0.16 -2.04 0.03 0.00 0.10 0.00 0.00 34.13 32.06 2waq s GLU 69 CO 0.21 -0.71 0.27 0.54 0.02 0.00 0.00 175.26 175.58 2waq s VAL 70 N -1.87 0.00 -0.03 2.63 0.11 0.51 -2.48 120.40 119.27 2waq s VAL 70 Ca 0.71 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.76 2waq s VAL 70 Cb -0.21 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 2waq s VAL 70 CO 0.25 -0.01 -0.10 -1.61 -3.33 0.00 0.00 175.10 170.30 2waq s GLU 71 N 0.08 2.56 0.09 1.54 2.02 -1.10 -1.98 118.70 121.91 2waq s GLU 71 Ca -0.01 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.32 2waq s GLU 71 Cb -0.02 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 2waq s GLU 71 CO 0.00 0.62 -0.06 -0.06 0.02 0.00 0.00 175.26 175.79 2waq s PHE 72 N -0.85 0.81 -0.15 1.61 0.40 -1.03 -3.12 117.98 115.64 2waq s PHE 72 Ca 0.14 -0.93 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 2waq s PHE 72 Cb -0.11 -0.49 0.00 0.00 0.51 0.00 0.00 43.02 42.94 2waq s PHE 72 CO 0.03 -0.19 -0.18 -0.51 0.70 0.00 0.00 175.22 175.07 2waq s ASP 73 N -2.97 3.41 0.13 1.36 1.11 -0.27 -3.02 116.67 116.41 2waq s ASP 73 Ca 0.10 -0.54 0.09 0.00 0.18 0.00 0.00 52.55 52.38 2waq s ASP 73 Cb 0.05 -1.51 -0.04 0.00 1.07 0.00 0.00 42.92 42.49 2waq s ASP 73 CO -0.06 0.08 -0.15 -0.04 1.18 0.00 0.00 175.17 176.18 2waq s MET 74 N 0.85 1.91 -0.29 8.23 -1.94 0.71 -0.48 119.30 128.28 2waq s MET 74 Ca -0.05 -1.17 -0.04 0.00 -1.71 0.00 0.00 55.69 52.71 2waq s MET 74 Cb -0.15 -2.16 0.03 0.00 2.01 0.00 0.00 34.83 34.56 2waq s MET 74 CO -0.02 0.47 0.03 0.42 -0.01 0.00 0.00 175.02 175.92 2waq s ILE 75 N -1.29 3.46 0.04 2.53 1.01 -1.08 -2.07 121.20 123.80 2waq s ILE 75 Ca 0.20 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.92 2waq s ILE 75 Cb -0.10 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2waq s ILE 75 CO 0.12 0.03 -0.15 -0.89 0.00 0.00 0.00 174.94 174.05 2waq s THR 76 N 1.39 1.23 -0.29 2.92 2.01 -0.21 -1.01 115.64 121.68 2waq s THR 76 Ca -0.00 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 60.86 2waq s THR 76 Cb -0.18 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2waq s THR 76 CO 0.00 0.05 0.14 -0.47 -0.69 0.00 0.00 174.62 173.65 2waq s TYR 77 N -0.84 3.16 -0.24 4.92 5.04 -0.45 0.19 117.35 129.13 2waq s TYR 77 Ca 0.03 -0.32 -0.16 0.00 -2.44 0.00 0.00 57.07 54.18 2waq s TYR 77 Cb -0.08 -2.34 -0.04 0.00 0.35 0.00 0.00 41.96 39.86 2waq s TYR 77 CO 0.01 -0.34 0.41 0.54 -1.34 0.00 0.00 175.55 174.83 2waq s VAL 78 N 1.66 5.16 -0.53 3.14 0.11 0.05 -2.50 120.40 127.49 2waq s VAL 78 Ca 0.06 0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 59.76 2waq s VAL 78 Cb -0.16 -3.73 0.16 0.00 -1.53 0.00 0.00 36.38 31.12 2waq s VAL 78 CO 0.07 0.18 2.48 -0.81 -3.33 0.00 0.00 175.10 173.69 2waq n PRO 79 N 5.04 2.41 -2.30 1.54 -0.04 -1.26 -4.78 135.00 135.62 2waq n PRO 79 Ca -0.08 -2.54 -0.36 0.00 -0.04 0.00 0.00 63.50 60.48 2waq n PRO 79 Cb 0.51 -2.11 -0.01 0.00 -0.04 0.00 0.00 33.50 31.85 2waq n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2waq s VAL 80 N -2.99 3.21 0.26 0.52 0.11 -1.26 -4.81 120.40 115.44 2waq s VAL 80 Ca 0.54 0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 60.14 2waq s VAL 80 Cb 0.39 -3.39 -0.10 0.00 -1.53 0.00 0.00 36.38 31.74 2waq s VAL 80 CO -0.22 -0.08 1.47 0.54 -3.33 0.00 0.00 175.10 173.48 2waq s VAL 81 N -1.66 2.53 -0.22 2.04 0.11 -1.26 -4.48 120.40 117.45 2waq s VAL 81 Ca 0.67 0.45 -0.06 0.00 -2.93 0.00 0.00 61.98 60.10 2waq s VAL 81 Cb -0.26 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.33 2waq s VAL 81 CO 0.30 0.07 0.13 0.00 -3.33 0.00 0.00 175.10 172.27 2waq n GLN 82 N 2.31 -3.87 -3.27 1.54 6.02 -1.10 -5.05 117.38 113.96 2waq n GLN 82 Ca 0.07 3.01 -0.13 0.00 -0.01 0.00 0.00 57.00 59.94 2waq n GLN 82 Cb 0.40 -4.87 -0.04 0.00 1.02 0.00 0.00 30.24 26.75 2waq n GLN 82 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2waq n GLU 83 N 1.33 0.57 -5.08 -1.09 1.02 -1.26 -4.93 120.64 111.20 2waq n GLU 83 Ca -0.22 -1.84 -0.32 0.00 -0.02 0.00 0.00 57.16 54.76 2waq n GLU 83 Cb 0.36 1.17 -0.17 0.00 -0.02 0.00 0.00 31.44 32.78 2waq n GLU 83 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2waq s VAL 84 N -2.49 2.02 0.10 2.62 0.11 -1.26 -4.07 120.40 117.43 2waq s VAL 84 Ca 0.15 -0.99 0.06 0.00 -2.93 0.00 0.00 61.98 58.27 2waq s VAL 84 Cb 0.01 -1.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 2waq s VAL 84 CO 0.10 0.55 -0.16 0.54 -3.33 0.00 0.00 175.10 172.81 2waq s VAL 85 N 0.45 1.34 -0.07 2.04 0.11 -1.21 -5.04 120.40 118.03 2waq s VAL 85 Ca -0.16 -1.54 -0.00 0.00 -2.93 0.00 0.00 61.98 57.35 2waq s VAL 85 Cb -0.17 -1.38 0.02 0.00 -1.53 0.00 0.00 36.38 33.32 2waq s VAL 85 CO 0.07 -0.27 -0.03 -1.61 -3.33 0.00 0.00 175.10 169.92 2waq s GLU 86 N -2.18 0.84 0.00 1.54 2.02 -1.26 -4.17 118.70 115.49 2waq s GLU 86 Ca 0.05 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.01 2waq s GLU 86 Cb -0.08 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.12 2waq s GLU 86 CO 0.03 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.51 2waq n GLY 87 N 4.72 0.82 3.89 -1.39 0.00 -1.23 -5.03 105.19 106.96 2waq n GLY 87 Ca -0.14 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2waq n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2waq s GLU 88 N -2.00 3.59 0.26 1.61 2.02 -1.26 -3.06 118.70 119.85 2waq s GLU 88 Ca 0.00 -0.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 2waq s GLU 88 Cb 0.00 -3.02 -0.09 0.00 0.10 0.00 0.00 34.13 31.12 2waq s GLU 88 CO 0.00 0.60 1.23 0.54 0.02 0.00 0.00 175.26 177.64 2waq s VAL 89 N -1.41 3.21 -0.16 2.63 0.11 -0.94 -4.20 120.40 119.65 2waq s VAL 89 Ca 0.32 1.12 -0.15 0.00 -2.93 0.00 0.00 61.98 60.34 2waq s VAL 89 Cb -0.13 -3.72 -0.12 0.00 -1.53 0.00 0.00 36.38 30.89 2waq s VAL 89 CO 0.19 0.23 0.13 -0.07 -3.33 0.00 0.00 175.10 172.25 2waq h LEU 90 N 4.34 0.00 -7.62 2.54 4.07 -1.85 -3.39 115.31 113.40 2waq h LEU 90 Ca -0.46 -0.32 -0.39 0.00 0.08 0.00 0.00 57.88 56.78 2waq h LEU 90 Cb 1.22 0.00 -0.35 0.00 1.08 0.00 0.00 40.66 42.61 2waq h LEU 90 CO 0.70 1.01 -0.76 -1.10 -1.08 0.00 0.00 178.44 177.21 2waq s GLN 91 N -2.17 0.59 -0.18 1.13 -0.21 -1.25 -4.70 119.66 112.87 2waq s GLN 91 Ca -0.18 0.02 -0.16 0.00 0.02 0.00 0.00 55.36 55.06 2waq s GLN 91 Cb 0.02 -0.75 -0.04 0.00 1.00 0.00 0.00 33.01 33.24 2waq s GLN 91 CO 0.38 -0.16 0.39 0.54 -2.12 0.00 0.00 175.29 174.32 2waq s VAL 92 N 1.24 5.22 0.52 1.09 0.11 -1.26 -3.61 120.40 123.70 2waq s VAL 92 Ca -0.06 0.72 0.05 0.00 -2.93 0.00 0.00 61.98 59.75 2waq s VAL 92 Cb -0.13 -3.72 0.02 0.00 -1.53 0.00 0.00 36.38 31.01 2waq s VAL 92 CO -0.02 0.30 0.29 -1.81 -3.33 0.00 0.00 175.10 170.53 2waq s ASP 93 N 0.84 4.52 0.33 3.54 1.11 -1.14 -4.93 116.67 120.94 2waq s ASP 93 Ca 0.20 -1.30 0.26 0.00 0.18 0.00 0.00 52.55 51.89 2waq s ASP 93 Cb -0.14 0.30 0.90 0.00 1.07 0.00 0.00 42.92 45.05 2waq s ASP 93 CO 0.07 -0.97 1.77 0.78 1.18 0.00 0.00 175.17 178.00 2waq h ASN 94 N 0.96 0.00 0.96 0.27 4.21 -1.98 -3.02 115.58 116.99 2waq h ASN 94 Ca -0.39 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.01 2waq h ASN 94 Cb 1.30 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.48 2waq h ASN 94 CO 0.62 0.00 -0.52 1.88 -1.29 0.00 0.00 177.43 178.12 2waq h TYR 95 N 0.00 0.00 0.00 1.19 0.05 -1.96 -3.46 116.97 112.79 2waq h TYR 95 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2waq h TYR 95 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2waq h TYR 95 CO 0.00 0.52 0.00 0.41 -1.05 0.00 0.00 178.16 178.04 2waq n GLY 96 N 0.58 -0.02 3.39 3.88 0.00 -1.14 -2.09 105.19 109.80 2waq n GLY 96 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2waq n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2waq s ILE 97 N 0.00 2.97 -0.46 -0.61 1.01 -0.76 -2.89 121.20 120.45 2waq s ILE 97 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.94 2waq s ILE 97 Cb 0.00 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.38 2waq s ILE 97 CO 0.00 0.55 0.23 -0.36 0.00 0.00 0.00 174.94 175.36 2waq s PHE 98 N 0.02 3.52 -0.12 3.97 0.40 -1.24 -2.75 117.98 121.78 2waq s PHE 98 Ca -0.05 -2.77 -0.01 0.00 -0.60 0.00 0.00 56.93 53.50 2waq s PHE 98 Cb -0.14 -3.08 -0.02 0.00 0.51 0.00 0.00 43.02 40.29 2waq s PHE 98 CO 0.04 -0.89 -0.08 0.54 0.70 0.00 0.00 175.22 175.53 2waq s VAL 99 N 0.54 3.53 -0.03 -0.44 0.11 -1.23 -3.27 120.40 119.61 2waq s VAL 99 Ca 0.13 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.37 2waq s VAL 99 Cb -0.22 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.09 2waq s VAL 99 CO -0.04 0.53 1.25 0.20 -3.33 0.00 0.00 175.10 173.71 2waq s ASN 100 N 0.04 7.00 0.00 3.54 0.02 -1.26 0.23 114.94 124.52 2waq s ASN 100 Ca -0.02 1.91 0.25 0.00 -1.02 0.00 0.00 52.86 53.99 2waq s ASN 100 Cb -0.14 -2.56 0.52 0.00 0.02 0.00 0.00 41.25 39.09 2waq s ASN 100 CO 0.03 -0.60 1.43 0.18 0.02 0.00 0.00 177.10 178.16 2waq n LEU 101 N 5.09 1.89 0.00 0.60 4.32 -0.93 -4.68 117.00 123.29 2waq n LEU 101 Ca 0.11 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 55.47 2waq n LEU 101 Cb 0.46 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 2waq n LEU 101 CO 0.56 0.33 0.00 0.61 -1.22 0.00 0.00 177.39 177.67 2waq n GLY 102 N 1.32 1.39 0.05 -0.72 0.00 -1.26 -4.78 105.19 101.18 2waq n GLY 102 Ca 0.14 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.81 2waq n GLY 102 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2waq n PRO 103 N 0.00 0.22 -4.61 1.61 -0.04 -1.26 -4.98 135.00 125.95 2waq n PRO 103 Ca 0.00 0.06 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2waq n PRO 103 Cb 0.00 -1.64 -0.11 0.00 -0.04 0.00 0.00 33.50 31.71 2waq n PRO 103 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2waq s MET 104 N -3.13 1.96 -0.03 0.54 -1.94 -1.26 -5.11 119.30 110.32 2waq s MET 104 Ca 0.07 -2.10 -0.00 0.00 -1.71 0.00 0.00 55.69 51.95 2waq s MET 104 Cb 0.14 -1.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.30 2waq s MET 104 CO 0.71 -0.04 0.02 -0.51 -0.01 0.00 0.00 175.02 175.19 2waq s ASP 105 N -3.71 5.32 0.11 3.03 1.01 -1.26 -2.19 116.67 118.98 2waq s ASP 105 Ca 0.35 0.09 -0.09 0.00 0.71 0.00 0.00 52.55 53.61 2waq s ASP 105 Cb 0.09 -1.47 -0.06 0.00 1.01 0.00 0.00 42.92 42.49 2waq s ASP 105 CO 0.18 0.31 0.42 -0.83 0.21 0.00 0.00 175.17 175.47 2waq s GLY 106 N -1.37 2.33 -0.34 0.21 0.00 0.14 -2.78 107.32 105.50 2waq s GLY 106 Ca 0.18 -0.38 0.16 0.00 0.00 0.00 0.00 44.72 44.68 2waq s GLY 106 CO 0.08 -0.18 0.97 1.04 0.00 0.00 0.00 173.10 175.01 2waq n LEU 107 N 0.67 1.91 -4.67 0.66 4.32 0.11 -3.53 117.00 116.48 2waq n LEU 107 Ca -0.06 -3.99 -0.43 0.00 -0.02 0.00 0.00 56.01 51.52 2waq n LEU 107 Cb 0.52 0.30 -0.02 0.00 -1.62 0.00 0.00 43.42 42.60 2waq n LEU 107 CO 0.43 1.69 1.09 0.54 -1.22 0.00 0.00 177.39 179.92 2waq s VAL 108 N -3.46 4.20 0.82 4.08 0.11 -1.11 -4.20 120.40 120.85 2waq s VAL 108 Ca 0.31 1.47 -0.11 0.00 -2.93 0.00 0.00 61.98 60.71 2waq s VAL 108 Cb 0.45 -3.95 0.09 0.00 -1.53 0.00 0.00 36.38 31.43 2waq s VAL 108 CO 0.00 -0.10 1.10 -2.28 -3.33 0.00 0.00 175.10 170.48 2waq s HIS 109 N 3.29 2.68 0.06 1.54 2.46 -1.26 -1.83 115.29 122.23 2waq s HIS 109 Ca 0.57 1.19 -0.28 0.00 0.47 0.00 0.00 55.06 57.00 2waq s HIS 109 Cb -0.23 -3.13 -0.17 0.00 -0.13 0.00 0.00 32.58 28.91 2waq s HIS 109 CO 0.17 -1.94 1.55 0.82 -2.47 0.00 0.00 174.74 172.87 2waq h ILE 110 N -1.22 0.61 0.00 0.89 1.08 -1.77 -3.06 117.51 114.05 2waq h ILE 110 Ca -0.48 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 2waq h ILE 110 Cb 1.27 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 2waq h ILE 110 CO 0.58 0.03 0.00 0.77 -0.69 0.00 0.00 178.15 178.84 2waq h SER 111 N -0.63 0.00 0.87 1.72 4.64 -1.89 -1.69 113.55 116.57 2waq h SER 111 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2waq h SER 111 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2waq h SER 111 CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2waq n GLN 112 N -2.88 0.07 -3.60 4.77 6.02 -1.16 -3.77 117.38 116.83 2waq n GLN 112 Ca 0.01 0.03 -0.37 0.00 -0.01 0.00 0.00 57.00 56.65 2waq n GLN 112 Cb 0.26 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.97 2waq n GLN 112 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2waq s ILE 113 N -2.92 4.60 0.35 5.09 1.01 -0.63 -0.32 121.20 128.37 2waq s ILE 113 Ca 0.16 -3.84 -0.01 0.00 0.00 0.00 0.00 60.65 56.96 2waq s ILE 113 Cb 0.18 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 2waq s ILE 113 CO 0.49 -1.11 0.57 0.28 0.00 0.00 0.00 174.94 175.18 2waq s THR 114 N -1.38 5.07 0.00 2.92 -1.32 -1.17 -4.98 115.64 114.78 2waq s THR 114 Ca 0.28 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2waq s THR 114 Cb -0.07 -3.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 2waq s THR 114 CO -0.12 -0.54 0.00 -0.67 -2.21 0.00 0.00 174.62 171.08 2waq n ASP 115 N -1.66 0.00 0.00 8.08 2.03 -1.26 -4.86 116.55 118.88 2waq n ASP 115 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2waq n ASP 115 Cb 0.56 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2waq n ASP 115 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2waq n ASP 116 N -1.70 0.00 -0.49 1.67 8.00 -1.26 -4.96 116.55 117.80 2waq n ASP 116 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 2waq n ASP 116 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 2waq n ASP 116 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2waq n THR 117 N -1.25 2.10 0.00 -3.53 -1.04 -1.26 -4.99 114.28 104.31 2waq n THR 117 Ca 0.00 -2.17 0.00 0.00 -2.04 0.00 0.00 64.05 59.84 2waq n THR 117 Cb 0.00 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 2waq n THR 117 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2waq n LEU 118 N -1.03 0.00 -4.64 -4.42 4.32 -1.26 -4.92 117.00 105.06 2waq n LEU 118 Ca 0.19 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.76 2waq n LEU 118 Cb 0.77 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.54 2waq n LEU 118 CO 0.08 0.00 1.48 -0.54 -1.22 0.00 0.00 177.39 177.18 2waq s LYS 119 N 0.00 3.84 -0.07 3.23 1.02 -1.26 -4.40 119.74 122.10 2waq s LYS 119 Ca 0.00 1.98 -0.06 0.00 0.02 0.00 0.00 55.97 57.91 2waq s LYS 119 Cb 0.00 -4.09 0.02 0.00 -0.52 0.00 0.00 37.83 33.24 2waq s LYS 119 CO 0.00 -1.26 0.19 0.71 -0.92 0.00 0.00 175.35 174.08 2waq s TYR 120 N 5.27 -0.21 -0.02 3.18 2.02 -1.26 -5.07 117.35 121.26 2waq s TYR 120 Ca 0.79 0.53 0.02 0.00 -0.37 0.00 0.00 57.07 58.03 2waq s TYR 120 Cb -0.31 0.07 0.01 0.00 -0.40 0.00 0.00 41.96 41.32 2waq s TYR 120 CO 0.32 -0.11 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.63 2waq s ASP 121 N 0.20 0.81 0.16 2.29 1.01 -1.26 -4.91 116.67 114.96 2waq s ASP 121 Ca -0.01 -0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.16 2waq s ASP 121 Cb -0.02 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.65 2waq s ASP 121 CO -0.00 0.03 0.29 0.20 0.21 0.00 0.00 175.17 175.89 2waq s ASN 122 N 0.27 6.30 -0.10 0.27 0.01 -1.26 -4.82 114.94 115.61 2waq s ASN 122 Ca -0.03 0.14 -0.04 0.00 -0.71 0.00 0.00 52.86 52.23 2waq s ASN 122 Cb -0.07 -1.88 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 2waq s ASN 122 CO -0.00 0.04 0.04 0.54 -1.51 0.00 0.00 177.10 176.21 2waq s VAL 123 N -1.78 4.68 -1.51 1.60 0.11 -1.26 -5.01 120.40 117.23 2waq s VAL 123 Ca 0.34 -0.11 0.28 0.00 -2.93 0.00 0.00 61.98 59.57 2waq s VAL 123 Cb -0.11 -3.00 0.33 0.00 -1.53 0.00 0.00 36.38 32.08 2waq s VAL 123 CO 0.28 0.60 1.75 0.54 -3.33 0.00 0.00 175.10 174.94 2waq n ARG 124 N 2.18 0.55 -0.08 1.54 1.74 -1.26 -3.42 116.66 117.90 2waq n ARG 124 Ca -0.19 -0.23 -0.08 0.00 -0.77 0.00 0.00 57.85 56.58 2waq n ARG 124 Cb 0.54 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 2waq n ARG 124 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2waq h GLY 125 N 4.97 0.40 -1.12 -0.13 0.00 -1.94 -2.49 103.07 102.75 2waq h GLY 125 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2waq h GLY 125 CO 0.00 0.09 -0.41 1.39 0.00 0.00 0.00 176.54 177.61 2waq n ILE 126 N -4.95 0.00 0.00 2.60 -0.00 -1.26 -4.98 119.36 110.77 2waq n ILE 126 Ca -0.01 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 2waq n ILE 126 Cb 0.07 1.29 0.00 0.00 -0.00 0.00 0.00 39.64 41.00 2waq n ILE 126 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2waq n ILE 127 N 0.16 0.00 -2.20 1.39 5.41 -0.94 -4.94 119.36 118.24 2waq n ILE 127 Ca 0.10 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.50 2waq n ILE 127 Cb 0.48 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.42 2waq n ILE 127 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2waq s PHE 128 N 0.00 2.69 -0.10 1.39 0.40 -1.26 -4.79 117.98 116.31 2waq s PHE 128 Ca 0.00 1.55 -0.24 0.00 -0.60 0.00 0.00 56.93 57.63 2waq s PHE 128 Cb 0.00 -3.25 -0.03 0.00 0.51 0.00 0.00 43.02 40.25 2waq s PHE 128 CO 0.00 -1.54 0.75 0.20 0.70 0.00 0.00 175.22 175.33 2waq s GLY 129 N -1.92 2.48 -0.09 4.36 0.00 -1.26 -4.45 107.32 106.43 2waq s GLY 129 Ca 0.71 0.11 0.03 0.00 0.00 0.00 0.00 44.72 45.57 2waq s GLY 129 CO 0.29 1.34 -0.18 -0.54 0.00 0.00 0.00 173.10 174.01 2waq s GLU 130 N 1.21 2.40 -0.53 2.90 2.02 -1.26 -3.37 118.70 122.08 2waq s GLU 130 Ca 0.38 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.76 2waq s GLU 130 Cb -0.18 -1.92 0.14 0.00 0.10 0.00 0.00 34.13 32.28 2waq s GLU 130 CO 0.17 0.06 0.30 0.15 0.02 0.00 0.00 175.26 175.96 2waq s LYS 131 N 0.64 1.86 -0.71 1.61 1.02 -0.95 -4.59 119.74 118.63 2waq s LYS 131 Ca -0.14 -2.59 -0.07 0.00 0.02 0.00 0.00 55.97 53.19 2waq s LYS 131 Cb -0.16 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 2waq s LYS 131 CO 0.04 -1.17 0.64 0.43 -0.92 0.00 0.00 175.35 174.37 2waq n SER 132 N 2.98 -6.17 -1.70 2.83 7.64 -1.26 -2.72 113.62 115.23 2waq n SER 132 Ca 0.10 -0.42 -0.21 0.00 1.01 0.00 0.00 58.87 59.35 2waq n SER 132 Cb 0.34 -3.17 -0.08 0.00 -1.01 0.00 0.00 64.21 60.29 2waq n SER 132 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2waq n LYS 133 N -1.77 -1.47 -4.25 1.43 5.02 -1.26 -4.98 118.16 110.89 2waq n LYS 133 Ca -0.14 1.19 -0.19 0.00 -2.02 0.00 0.00 58.31 57.15 2waq n LYS 133 Cb 0.61 -5.61 -0.15 0.00 -0.02 0.00 0.00 35.03 29.86 2waq n LYS 133 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2waq s LYS 134 N -3.94 0.74 -0.35 1.97 1.02 -1.10 -5.12 119.74 112.96 2waq s LYS 134 Ca 0.00 -0.20 -0.28 0.00 0.02 0.00 0.00 55.97 55.51 2waq s LYS 134 Cb 0.00 -0.72 0.02 0.00 -0.52 0.00 0.00 37.83 36.60 2waq s LYS 134 CO 0.00 0.05 1.04 0.54 -0.92 0.00 0.00 175.35 176.07 2waq s VAL 135 N 0.33 4.49 -0.47 3.17 0.11 -1.26 -2.24 120.40 124.53 2waq s VAL 135 Ca -0.04 1.55 0.04 0.00 -2.93 0.00 0.00 61.98 60.59 2waq s VAL 135 Cb -0.09 -4.41 0.16 0.00 -1.53 0.00 0.00 36.38 30.51 2waq s VAL 135 CO 0.00 -0.55 0.35 -0.63 -3.33 0.00 0.00 175.10 170.94 2waq s ILE 136 N 3.70 1.00 0.00 7.04 1.09 -1.22 -5.00 121.20 127.81 2waq s ILE 136 Ca 0.44 -2.90 0.00 0.00 -1.10 0.00 0.00 60.65 57.09 2waq s ILE 136 Cb -0.12 -1.68 0.00 0.00 -1.06 0.00 0.00 42.46 39.60 2waq s ILE 136 CO 0.18 -1.12 0.00 0.00 -0.10 0.00 0.00 174.94 173.90 2waq n GLN 137 N 2.85 0.00 0.00 2.79 -0.00 -1.25 -4.13 117.38 117.63 2waq n GLN 137 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.23 2waq n GLN 137 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.66 2waq n GLN 137 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2waq n LYS 138 N 0.00 0.00 -3.29 2.61 5.02 -1.26 -3.93 118.16 117.30 2waq n LYS 138 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2waq n LYS 138 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2waq n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2waq n GLY 139 N 0.00 4.37 3.96 0.72 0.00 -1.26 -4.16 105.19 108.82 2waq n GLY 139 Ca 0.00 -2.42 -0.22 0.00 0.00 0.00 0.00 46.02 43.37 2waq n GLY 139 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2waq s ASP 140 N -2.28 5.53 0.38 1.61 1.11 -1.25 -4.63 116.67 117.14 2waq s ASP 140 Ca 0.40 0.16 -0.27 0.00 0.18 0.00 0.00 52.55 53.02 2waq s ASP 140 Cb 0.18 -1.21 -0.09 0.00 1.07 0.00 0.00 42.92 42.87 2waq s ASP 140 CO -0.05 -0.95 1.27 -0.54 1.18 0.00 0.00 175.17 176.07 2waq s LYS 141 N -4.69 4.09 0.00 8.23 -0.14 -1.26 -2.21 119.74 123.76 2waq s LYS 141 Ca 0.53 2.09 -0.17 0.00 -1.36 0.00 0.00 55.97 57.06 2waq s LYS 141 Cb -0.10 -2.82 0.03 0.00 -1.68 0.00 0.00 37.83 33.26 2waq s LYS 141 CO 0.39 -0.37 0.36 0.54 -0.76 0.00 0.00 175.35 175.51 2waq s VAL 142 N -1.26 0.06 -0.03 3.17 0.11 -1.17 -3.98 120.40 117.29 2waq s VAL 142 Ca 0.55 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 2waq s VAL 142 Cb -0.37 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2waq s VAL 142 CO 0.47 -0.26 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.82 2waq s ARG 143 N -1.74 0.63 0.25 1.54 0.52 -0.39 -3.55 118.95 116.21 2waq s ARG 143 Ca -0.10 -0.08 -0.16 0.00 -0.52 0.00 0.00 55.73 54.87 2waq s ARG 143 Cb -0.03 -0.67 0.01 0.00 0.52 0.00 0.00 34.95 34.78 2waq s ARG 143 CO 0.02 -0.06 0.55 0.00 0.02 0.00 0.00 175.30 175.84 2waq s ALA 144 N 0.75 -0.63 -0.10 2.13 0.00 -1.26 -2.30 121.76 120.35 2waq s ALA 144 Ca -0.09 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2waq s ALA 144 Cb -0.12 0.97 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 2waq s ALA 144 CO -0.00 -0.90 -0.23 1.03 0.00 0.00 0.00 175.76 175.65 2waq s ARG 145 N -3.97 3.00 0.49 0.00 0.52 -1.16 -3.36 118.95 114.47 2waq s ARG 145 Ca 0.17 -0.87 -0.22 0.00 -0.52 0.00 0.00 55.73 54.29 2waq s ARG 145 Cb -0.02 -2.31 -0.06 0.00 0.52 0.00 0.00 34.95 33.07 2waq s ARG 145 CO 0.07 0.22 1.22 0.54 0.02 0.00 0.00 175.30 177.36 2waq s VAL 146 N 0.26 2.81 0.00 3.52 0.11 -1.26 -1.31 120.40 124.53 2waq s VAL 146 Ca -0.16 0.60 -0.00 0.00 -2.93 0.00 0.00 61.98 59.49 2waq s VAL 146 Cb -0.17 -3.30 -0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2waq s VAL 146 CO 0.08 -0.02 -0.01 -0.38 -3.33 0.00 0.00 175.10 171.44 2waq n ILE 147 N -0.71 0.16 -4.28 7.04 2.08 0.31 -2.72 119.36 121.24 2waq n ILE 147 Ca 0.09 0.03 -0.30 0.00 0.56 0.00 0.00 62.75 63.13 2waq n ILE 147 Cb 0.47 -1.52 -0.10 0.00 -0.75 0.00 0.00 39.64 37.74 2waq n ILE 147 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2waq s SER 148 N -5.16 4.38 -0.16 4.38 1.04 -1.24 -4.67 113.70 112.27 2waq s SER 148 Ca -0.01 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2waq s SER 148 Cb 0.00 -0.85 0.03 0.00 0.10 0.00 0.00 66.02 65.31 2waq s SER 148 CO 0.01 0.19 -0.11 0.54 0.98 0.00 0.00 173.24 174.86 2waq s VAL 149 N -1.17 1.45 -0.37 5.02 0.11 -1.26 -3.54 120.40 120.64 2waq s VAL 149 Ca 0.20 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 2waq s VAL 149 Cb -0.11 -1.46 0.11 0.00 -1.53 0.00 0.00 36.38 33.39 2waq s VAL 149 CO 0.12 0.31 0.12 0.00 -3.33 0.00 0.00 175.10 172.33 2waq s ALA 150 N 1.51 2.33 -0.05 1.54 0.00 -1.18 -5.03 121.76 120.88 2waq s ALA 150 Ca 0.03 -2.33 -0.02 0.00 0.00 0.00 0.00 51.96 49.64 2waq s ALA 150 Cb -0.14 -1.85 0.04 0.00 0.00 0.00 0.00 23.12 21.16 2waq s ALA 150 CO -0.09 -1.79 0.10 -1.54 0.00 0.00 0.00 175.76 172.44 2waq s SER 151 N 0.92 0.10 -0.06 0.00 1.04 -1.26 -0.90 113.70 113.54 2waq s SER 151 Ca 0.12 0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 2waq s SER 151 Cb -0.20 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 2waq s SER 151 CO -0.12 -0.16 0.40 -0.89 0.98 0.00 0.00 173.24 173.46 2waq s THR 152 N 1.29 5.13 -0.77 2.02 2.01 -1.26 -5.00 115.64 119.06 2waq s THR 152 Ca -0.07 0.80 0.02 0.00 0.31 0.00 0.00 61.69 62.75 2waq s THR 152 Cb -0.12 -3.72 0.34 0.00 0.01 0.00 0.00 72.50 69.01 2waq s THR 152 CO -0.05 0.49 1.36 0.55 -0.69 0.00 0.00 174.62 176.28 2waq n VAL 153 N 2.55 4.34 -3.00 3.82 3.14 -1.26 -4.83 118.33 123.10 2waq n VAL 153 Ca -0.12 -5.68 -0.01 0.00 -2.96 0.00 0.00 64.34 55.57 2waq n VAL 153 Cb 0.52 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 2waq n VAL 153 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2waq n LEU 157 N -0.19 -5.42 -4.88 6.55 4.32 -1.26 -5.07 117.00 111.05 2waq n LEU 157 Ca 0.39 0.82 -0.30 0.00 -0.02 0.00 0.00 56.01 56.90 2waq n LEU 157 Cb 0.34 -2.32 -0.04 0.00 -1.62 0.00 0.00 43.42 39.79 2waq n LEU 157 CO 0.42 -2.15 0.38 -2.16 -1.22 0.00 0.00 177.39 172.66 2waq s PRO 158 N -1.30 3.77 -0.06 3.23 0.04 -1.26 -4.29 135.00 135.13 2waq s PRO 158 Ca 0.01 0.39 -0.13 0.00 0.04 0.00 0.00 61.00 61.30 2waq s PRO 158 Cb -0.00 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 32.11 2waq s PRO 158 CO 0.34 0.05 0.32 1.03 0.04 0.00 0.00 177.00 178.78 2waq s ARG 159 N -3.66 0.55 -0.06 4.56 0.52 -0.07 -4.80 118.95 115.98 2waq s ARG 159 Ca 0.50 0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.82 2waq s ARG 159 Cb -0.10 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.64 2waq s ARG 159 CO 0.29 -0.12 -0.06 0.42 0.02 0.00 0.00 175.30 175.85 2waq s ILE 160 N -0.66 0.69 -0.08 1.52 -1.09 -1.12 -3.09 121.20 117.37 2waq s ILE 160 Ca -0.08 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 2waq s ILE 160 Cb -0.04 -0.71 -0.01 0.00 -1.58 0.00 0.00 42.46 40.12 2waq s ILE 160 CO 0.03 0.28 -0.22 0.00 -1.23 0.00 0.00 174.94 173.79 2waq s ALA 161 N 1.16 2.29 0.41 9.38 0.00 -1.23 0.05 121.76 133.81 2waq s ALA 161 Ca -0.07 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2waq s ALA 161 Cb -0.14 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.07 2waq s ALA 161 CO -0.01 0.35 0.05 -0.51 0.00 0.00 0.00 175.76 175.64 2waq s LEU 162 N 0.06 2.94 -0.13 0.00 1.02 -1.26 -0.53 118.68 120.79 2waq s LEU 162 Ca -0.09 -1.28 -0.13 0.00 0.02 0.00 0.00 54.13 52.64 2waq s LEU 162 Cb -0.15 -1.06 0.04 0.00 0.02 0.00 0.00 46.19 45.04 2waq s LEU 162 CO 0.06 -0.46 0.37 -0.89 0.02 0.00 0.00 176.35 175.44 2waq s THR 163 N -2.67 0.01 -0.26 5.49 2.01 -0.43 -4.14 115.64 115.65 2waq s THR 163 Ca 0.37 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.31 2waq s THR 163 Cb 0.08 -0.54 0.08 0.00 0.01 0.00 0.00 72.50 72.12 2waq s THR 163 CO 0.19 -0.03 0.01 -0.04 -0.69 0.00 0.00 174.62 174.07 2waq s MET 164 N 0.01 1.20 0.00 4.92 -1.94 0.57 -3.00 119.30 121.06 2waq s MET 164 Ca -0.02 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 52.94 2waq s MET 164 Cb -0.03 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 34.38 2waq s MET 164 CO 0.01 -0.75 0.00 0.54 -0.01 0.00 0.00 175.02 174.81 2waq n ARG 165 N 4.73 1.70 -3.33 2.03 1.74 -1.26 -3.05 116.66 119.22 2waq n ARG 165 Ca -0.07 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.65 2waq n ARG 165 Cb 0.44 -0.94 -0.06 0.00 -1.02 0.00 0.00 32.46 30.88 2waq n ARG 165 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2waq s GLN 166 N -1.81 4.04 0.00 5.56 -0.21 -1.26 -4.97 119.66 121.00 2waq s GLN 166 Ca 0.00 0.56 0.01 0.00 0.02 0.00 0.00 55.36 55.96 2waq s GLN 166 Cb 0.00 -3.00 0.06 0.00 1.00 0.00 0.00 33.01 31.07 2waq s GLN 166 CO 0.00 0.51 1.04 -0.35 -2.12 0.00 0.00 175.29 174.37 2waq n PRO 167 N 1.01 0.00 0.12 2.91 -0.04 -1.26 -1.42 135.00 136.32 2waq n PRO 167 Ca -0.06 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 2waq n PRO 167 Cb 0.52 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.89 2waq n PRO 167 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2waq n TYR 168 N -1.50 0.96 -4.09 0.54 4.01 -1.26 -4.86 117.16 110.96 2waq n TYR 168 Ca 0.00 0.29 -0.30 0.00 -0.16 0.00 0.00 57.90 57.73 2waq n TYR 168 Cb 0.02 -0.98 -0.07 0.00 -0.31 0.00 0.00 39.34 37.99 2waq n TYR 168 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2waq s LEU 169 N -4.60 3.64 0.00 7.72 1.02 -0.51 -5.03 118.68 120.93 2waq s LEU 169 Ca 0.09 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.16 2waq s LEU 169 Cb 0.12 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.99 2waq s LEU 169 CO 0.56 0.18 0.00 0.61 0.02 0.00 0.00 176.35 177.72 2waq n GLY 170 N 0.55 0.62 3.75 -3.19 0.00 -0.97 -4.92 105.19 101.03 2waq n GLY 170 Ca -0.10 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 2waq n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2waq s LYS 171 N -1.53 1.51 0.41 1.61 1.02 -1.26 -1.26 119.74 120.24 2waq s LYS 171 Ca 0.00 0.69 0.23 0.00 0.02 0.00 0.00 55.97 56.91 2waq s LYS 171 Cb 0.00 -1.85 0.58 0.00 -0.52 0.00 0.00 37.83 36.04 2waq s LYS 171 CO 0.00 -2.03 1.68 -0.07 -0.92 0.00 0.00 175.35 174.01 2waq h LEU 172 N -1.39 0.00 0.00 3.17 4.07 -1.96 -2.93 115.31 116.27 2waq h LEU 172 Ca -0.49 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.41 2waq h LEU 172 Cb 1.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.02 2waq h LEU 172 CO 0.57 0.21 -0.52 -0.33 -1.08 0.00 0.00 178.44 177.29 2waq h GLU 173 N 0.00 0.00 -0.20 1.13 5.08 -1.93 -3.05 114.58 115.61 2waq h GLU 173 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2waq h GLU 173 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2waq h GLU 173 CO 0.03 0.23 -0.34 2.35 -1.00 0.00 0.00 179.01 180.28 2waq h TRP 174 N 0.00 0.49 0.08 4.33 7.01 -1.88 -3.25 115.95 122.72 2waq h TRP 174 Ca -0.02 -0.12 -0.35 0.00 2.11 0.00 0.00 58.89 60.51 2waq h TRP 174 Cb 1.23 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 28.14 2waq h TRP 174 CO 0.00 0.72 -1.97 -0.89 -2.79 0.00 0.00 178.44 173.51 2waq n ILE 175 N -4.07 1.68 0.26 2.65 2.08 -1.19 -4.44 119.36 116.33 2waq n ILE 175 Ca -0.01 -0.52 0.14 0.00 0.56 0.00 0.00 62.75 62.92 2waq n ILE 175 Cb 0.46 -1.75 0.71 0.00 -0.75 0.00 0.00 39.64 38.30 2waq n ILE 175 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2waq h THR 176 N -0.19 0.43 0.00 1.39 1.03 -1.64 -3.52 112.91 110.41 2waq h THR 176 Ca -0.45 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 65.34 2waq h THR 176 Cb 1.86 1.43 0.00 0.00 -1.07 0.00 0.00 68.15 70.37 2waq h THR 176 CO -0.02 0.11 0.00 0.00 -0.01 0.00 0.00 175.52 175.60