#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr9 n GLY 11 N 0.00 0.48 3.44 0.00 0.00 -1.26 -4.71 105.19 103.15 2wr9 n GLY 11 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 2wr9 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr9 s GLU 12 N -3.81 2.81 0.10 1.61 2.02 -1.26 -1.56 118.70 118.61 2wr9 s GLU 12 Ca 0.00 -0.69 0.10 0.00 0.02 0.00 0.00 54.97 54.40 2wr9 s GLU 12 Cb 0.00 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 2wr9 s GLU 12 CO 0.00 0.48 -0.26 -0.06 0.02 0.00 0.00 175.26 175.44 2wr9 s PHE 13 N -0.36 2.23 -0.25 1.61 0.08 0.12 -4.99 117.98 116.43 2wr9 s PHE 13 Ca 0.04 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.71 2wr9 s PHE 13 Cb -0.12 -1.25 0.05 0.00 -0.57 0.00 0.00 43.02 41.13 2wr9 s PHE 13 CO 0.02 0.27 -0.11 -1.12 -0.10 0.00 0.00 175.22 174.18 2wr9 s SER 14 N -1.82 4.23 0.42 1.36 0.01 -1.26 -0.93 113.70 115.70 2wr9 s SER 14 Ca 0.12 -1.19 0.07 0.00 1.31 0.00 0.00 55.95 56.26 2wr9 s SER 14 Cb -0.10 -1.56 -0.07 0.00 0.21 0.00 0.00 66.02 64.50 2wr9 s SER 14 CO 0.05 -0.15 0.04 0.27 0.41 0.00 0.00 173.24 173.85 2wr9 s ILE 15 N 1.18 1.99 0.44 1.44 -4.36 0.10 -5.01 121.20 116.98 2wr9 s ILE 15 Ca -0.05 -1.95 -0.26 0.00 -0.26 0.00 0.00 60.65 58.14 2wr9 s ILE 15 Cb -0.18 -2.94 -0.09 0.00 1.25 0.00 0.00 42.46 40.50 2wr9 s ILE 15 CO -0.06 0.00 1.45 -2.84 0.24 0.00 0.00 174.94 173.73 2wr9 s PRO 16 N -3.76 3.74 0.82 0.37 0.02 -1.26 -4.35 135.00 130.58 2wr9 s PRO 16 Ca 0.34 2.48 -0.13 0.00 0.02 0.00 0.00 61.00 63.71 2wr9 s PRO 16 Cb 0.08 -2.70 0.09 0.00 0.02 0.00 0.00 34.50 31.99 2wr9 s PRO 16 CO 0.18 -0.80 1.19 -2.14 -0.33 0.00 0.00 177.00 175.10 2wr9 s PRO 17 N -2.41 1.61 -1.56 5.54 0.02 -1.26 -3.59 135.00 133.35 2wr9 s PRO 17 Ca 0.60 1.69 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 2wr9 s PRO 17 Cb -0.45 -1.78 0.09 0.00 0.02 0.00 0.00 34.50 32.38 2wr9 s PRO 17 CO 0.58 -2.22 0.80 -1.71 -0.33 0.00 0.00 177.00 174.13 2wr9 n ASN 18 N -3.41 -3.28 -4.39 2.53 5.15 -0.03 -4.91 115.26 106.92 2wr9 n ASN 18 Ca 0.13 -0.90 -0.35 0.00 -0.60 0.00 0.00 54.58 52.86 2wr9 n ASN 18 Cb 0.51 -3.37 -0.13 0.00 -0.53 0.00 0.00 39.78 36.26 2wr9 n ASN 18 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wr9 s THR 19 N -3.43 3.58 0.27 -0.44 2.01 -1.24 -4.86 115.64 111.53 2wr9 s THR 19 Ca 0.54 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2wr9 s THR 19 Cb -0.28 -2.60 -0.09 0.00 0.01 0.00 0.00 72.50 69.53 2wr9 s THR 19 CO 0.87 0.45 1.05 -1.81 -0.69 0.00 0.00 174.62 174.49 2wr9 s ASP 20 N 1.03 7.38 0.05 3.53 1.11 -1.26 -0.52 116.67 127.99 2wr9 s ASP 20 Ca 0.01 2.17 -0.09 0.00 0.18 0.00 0.00 52.55 54.82 2wr9 s ASP 20 Cb -0.15 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.23 2wr9 s ASP 20 CO 0.00 -0.05 0.20 0.72 1.18 0.00 0.00 175.17 177.22 2wr9 s PHE 21 N -1.17 0.06 0.12 4.23 -0.12 -0.00 -4.23 117.98 116.87 2wr9 s PHE 21 Ca 0.43 -0.31 -0.09 0.00 -0.05 0.00 0.00 56.93 56.91 2wr9 s PHE 21 Cb -0.30 -0.03 -0.06 0.00 -0.63 0.00 0.00 43.02 42.00 2wr9 s PHE 21 CO 0.38 -0.45 0.43 1.03 -0.05 0.00 0.00 175.22 176.56 2wr9 s ARG 22 N -2.75 3.76 -0.10 1.99 1.81 0.31 -1.56 118.95 122.40 2wr9 s ARG 22 Ca -0.04 0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.14 2wr9 s ARG 22 Cb -0.00 -2.92 0.02 0.00 -0.45 0.00 0.00 34.95 31.60 2wr9 s ARG 22 CO -0.05 0.50 -0.10 0.00 -0.68 0.00 0.00 175.30 174.97 2wr9 s ALA 23 N -1.51 1.41 -0.17 2.13 0.00 -0.03 -1.15 121.76 122.44 2wr9 s ALA 23 Ca 0.37 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 2wr9 s ALA 23 Cb -0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 2wr9 s ALA 23 CO 0.20 -0.23 -0.02 0.42 0.00 0.00 0.00 175.76 176.12 2wr9 s ILE 24 N 1.32 3.96 -0.08 0.00 -1.09 0.38 -0.30 121.20 125.40 2wr9 s ILE 24 Ca -0.01 -0.33 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 2wr9 s ILE 24 Cb -0.14 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.97 2wr9 s ILE 24 CO -0.05 0.48 -0.17 -0.36 -1.23 0.00 0.00 174.94 173.61 2wr9 s PHE 25 N 0.52 2.67 0.20 3.97 0.08 0.48 -1.02 117.98 124.89 2wr9 s PHE 25 Ca -0.02 -0.47 -0.19 0.00 0.12 0.00 0.00 56.93 56.36 2wr9 s PHE 25 Cb -0.14 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.65 2wr9 s PHE 25 CO 0.02 -0.06 0.56 -0.59 -0.10 0.00 0.00 175.22 175.06 2wr9 s PHE 26 N -0.21 -0.19 0.05 0.36 -0.12 -0.59 -1.26 117.98 116.02 2wr9 s PHE 26 Ca -0.00 -0.14 0.05 0.00 -0.05 0.00 0.00 56.93 56.78 2wr9 s PHE 26 Cb -0.13 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.69 2wr9 s PHE 26 CO 0.03 -0.95 -0.14 0.00 -0.05 0.00 0.00 175.22 174.12 2wr9 s ALA 27 N -3.86 1.12 -0.59 1.99 0.00 -1.26 -0.86 121.76 118.29 2wr9 s ALA 27 Ca 0.08 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.20 2wr9 s ALA 27 Cb -0.02 -0.12 0.22 0.00 0.00 0.00 0.00 23.12 23.19 2wr9 s ALA 27 CO -0.03 0.18 0.58 0.09 0.00 0.00 0.00 175.76 176.58 2wr9 n ASN 28 N 1.59 2.45 -3.52 0.00 3.02 -0.32 -4.02 115.26 114.46 2wr9 n ASN 28 Ca -0.20 -3.12 -0.15 0.00 -0.03 0.00 0.00 54.58 51.08 2wr9 n ASN 28 Cb 0.54 -0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 2wr9 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wr9 s ALA 29 N -1.65 -1.55 -0.03 5.41 0.00 -1.26 -4.12 121.76 118.55 2wr9 s ALA 29 Ca 0.34 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2wr9 s ALA 29 Cb 0.08 0.36 -0.26 0.00 0.00 0.00 0.00 23.12 23.30 2wr9 s ALA 29 CO -0.10 -0.51 0.73 0.00 0.00 0.00 0.00 175.76 175.88 2wr9 h ALA 30 N 2.69 0.42 -2.39 0.00 0.00 -1.96 -2.21 119.26 115.82 2wr9 h ALA 30 Ca -0.30 -1.24 -0.51 0.00 0.00 0.00 0.00 54.91 52.86 2wr9 h ALA 30 Cb 1.21 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2wr9 h ALA 30 CO 0.40 1.28 0.02 -1.21 0.00 0.00 0.00 179.25 179.74 2wr9 s GLU 31 N -2.60 3.92 0.00 0.00 0.41 -1.26 -4.89 118.70 114.28 2wr9 s GLU 31 Ca -0.10 0.52 -0.30 0.00 -0.41 0.00 0.00 54.97 54.67 2wr9 s GLU 31 Cb 0.07 -2.51 -0.06 0.00 -1.78 0.00 0.00 34.13 29.85 2wr9 s GLU 31 CO 0.83 0.21 1.55 -0.65 -0.49 0.00 0.00 175.26 176.71 2wr9 s GLN 32 N -2.93 4.23 -0.35 1.61 -0.21 -1.26 -4.60 119.66 116.14 2wr9 s GLN 32 Ca 0.52 2.14 -0.21 0.00 0.02 0.00 0.00 55.36 57.82 2wr9 s GLN 32 Cb -0.11 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 30.21 2wr9 s GLN 32 CO 0.19 -0.70 0.68 -0.65 -2.12 0.00 0.00 175.29 172.68 2wr9 s GLN 33 N 2.94 3.73 -0.60 2.91 -1.52 0.34 -4.58 119.66 122.89 2wr9 s GLN 33 Ca 0.69 0.16 -0.23 0.00 -1.95 0.00 0.00 55.36 54.04 2wr9 s GLN 33 Cb -0.34 -3.80 0.06 0.00 -0.22 0.00 0.00 33.01 28.71 2wr9 s GLN 33 CO 0.29 -0.74 0.92 -1.01 -0.25 0.00 0.00 175.29 174.50 2wr9 s HIS 34 N 2.80 2.76 -0.28 0.91 3.76 -0.41 -0.73 115.29 124.09 2wr9 s HIS 34 Ca 0.26 -0.34 -0.06 0.00 -0.15 0.00 0.00 55.06 54.78 2wr9 s HIS 34 Cb -0.14 -4.13 0.01 0.00 1.11 0.00 0.00 32.58 29.43 2wr9 s HIS 34 CO 0.15 -1.47 0.04 0.42 -0.85 0.00 0.00 174.74 173.03 2wr9 s ILE 35 N 3.88 3.72 -0.10 0.60 1.01 0.20 -1.30 121.20 129.20 2wr9 s ILE 35 Ca 0.25 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2wr9 s ILE 35 Cb -0.15 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2wr9 s ILE 35 CO 0.14 0.15 -0.14 -0.54 0.00 0.00 0.00 174.94 174.55 2wr9 s LYS 36 N 1.47 3.01 -0.18 2.79 1.02 0.06 -1.58 119.74 126.32 2wr9 s LYS 36 Ca 0.03 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 2wr9 s LYS 36 Cb -0.17 -2.52 -0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2wr9 s LYS 36 CO 0.01 0.39 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.54 2wr9 s LEU 37 N -0.12 2.60 -0.07 3.17 0.20 -0.01 -1.92 118.68 122.53 2wr9 s LEU 37 Ca -0.01 -0.45 0.02 0.00 0.69 0.00 0.00 54.13 54.37 2wr9 s LEU 37 Cb -0.14 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 43.98 2wr9 s LEU 37 CO 0.03 0.04 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.67 2wr9 s PHE 38 N 1.08 2.83 -0.15 5.38 0.08 -0.06 0.02 117.98 127.16 2wr9 s PHE 38 Ca 0.00 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.87 2wr9 s PHE 38 Cb -0.15 -1.71 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2wr9 s PHE 38 CO -0.03 0.19 -0.02 0.42 -0.10 0.00 0.00 175.22 175.68 2wr9 s ILE 39 N -0.58 4.02 0.00 0.64 1.01 -1.26 -0.91 121.20 124.12 2wr9 s ILE 39 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2wr9 s ILE 39 Cb -0.12 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2wr9 s ILE 39 CO 0.02 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2wr9 n GLY 40 N 3.36 2.36 0.97 6.18 0.00 0.26 -2.72 105.19 115.60 2wr9 n GLY 40 Ca -0.17 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.49 2wr9 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wr9 n ASP 41 N 2.96 2.84 -4.77 1.61 8.00 -1.26 -4.91 116.55 121.02 2wr9 n ASP 41 Ca 0.00 -1.97 -0.40 0.00 0.71 0.00 0.00 54.79 53.13 2wr9 n ASP 41 Cb 0.00 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 2wr9 n ASP 41 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2wr9 s SER 42 N -1.13 6.44 0.07 -2.24 0.15 -1.10 -4.92 113.70 110.97 2wr9 s SER 42 Ca 0.36 2.83 0.25 0.00 0.70 0.00 0.00 55.95 60.09 2wr9 s SER 42 Cb 0.19 -2.65 0.53 0.00 -1.71 0.00 0.00 66.02 62.38 2wr9 s SER 42 CO 0.26 -0.78 1.45 0.00 1.20 0.00 0.00 173.24 175.37 2wr9 n GLN 43 N 0.45 0.16 -3.96 5.44 6.02 -1.26 -4.78 117.38 119.44 2wr9 n GLN 43 Ca 0.02 0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.71 2wr9 n GLN 43 Cb 0.41 -1.61 -0.09 0.00 1.02 0.00 0.00 30.24 29.98 2wr9 n GLN 43 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2wr9 s GLU 44 N -3.09 3.81 0.48 -1.09 0.41 -1.26 -5.08 118.70 112.88 2wr9 s GLU 44 Ca 0.09 -0.28 -0.22 0.00 -0.41 0.00 0.00 54.97 54.14 2wr9 s GLU 44 Cb 0.15 -3.21 -0.07 0.00 -1.78 0.00 0.00 34.13 29.23 2wr9 s GLU 44 CO 0.68 0.42 1.19 -1.25 -0.49 0.00 0.00 175.26 175.82 2wr9 s PRO 45 N -0.04 3.63 0.29 0.39 0.04 -1.26 -4.74 135.00 133.31 2wr9 s PRO 45 Ca 0.07 1.83 0.22 0.00 0.04 0.00 0.00 61.00 63.16 2wr9 s PRO 45 Cb -0.12 -2.35 0.12 0.00 0.04 0.00 0.00 34.50 32.19 2wr9 s PRO 45 CO 0.01 -0.67 1.27 0.00 0.04 0.00 0.00 177.00 177.64 2wr9 h ALA 46 N 1.89 0.71 -2.52 8.56 0.00 -0.78 -3.46 119.26 123.66 2wr9 h ALA 46 Ca -0.50 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 2wr9 h ALA 46 Cb 1.26 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.85 2wr9 h ALA 46 CO 0.59 0.09 -0.21 0.00 0.00 0.00 0.00 179.25 179.72 2wr9 s ALA 47 N -3.26 -0.96 -0.19 0.00 0.00 -1.12 -5.02 121.76 111.21 2wr9 s ALA 47 Ca 0.02 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 2wr9 s ALA 47 Cb 0.08 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.14 2wr9 s ALA 47 CO 0.74 -0.25 0.43 -0.47 0.00 0.00 0.00 175.76 176.21 2wr9 s TYR 48 N -0.89 -0.76 0.05 0.00 5.04 -1.26 -0.83 117.35 118.70 2wr9 s TYR 48 Ca -0.10 1.48 0.04 0.00 -2.44 0.00 0.00 57.07 56.06 2wr9 s TYR 48 Cb -0.04 0.31 -0.02 0.00 0.35 0.00 0.00 41.96 42.56 2wr9 s TYR 48 CO 0.04 -0.44 -0.11 -1.01 -1.34 0.00 0.00 175.55 172.68 2wr9 s HIS 49 N 2.23 0.99 -0.38 4.97 3.76 -0.62 -4.99 115.29 121.25 2wr9 s HIS 49 Ca -0.04 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.44 2wr9 s HIS 49 Cb -0.11 -0.58 0.10 0.00 1.11 0.00 0.00 32.58 33.10 2wr9 s HIS 49 CO -0.13 0.00 0.16 0.15 -0.85 0.00 0.00 174.74 174.07 2wr9 s LYS 50 N -1.36 2.02 -0.00 1.40 1.02 -1.25 -0.63 119.74 120.93 2wr9 s LYS 50 Ca -0.03 -1.73 0.04 0.00 0.02 0.00 0.00 55.97 54.27 2wr9 s LYS 50 Cb -0.09 -3.49 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2wr9 s LYS 50 CO 0.01 -0.99 -0.14 -0.51 -0.92 0.00 0.00 175.35 172.81 2wr9 s LEU 51 N 1.14 2.05 0.52 3.17 1.43 0.09 -4.83 118.68 122.25 2wr9 s LEU 51 Ca 0.06 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2wr9 s LEU 51 Cb -0.22 -0.70 0.02 0.00 0.03 0.00 0.00 46.19 45.32 2wr9 s LEU 51 CO -0.04 0.15 0.34 0.42 0.23 0.00 0.00 176.35 177.45 2wr9 s THR 52 N -0.40 1.69 0.24 5.49 -4.23 -1.26 -0.50 115.64 116.66 2wr9 s THR 52 Ca 0.05 -1.56 -0.04 0.00 -1.18 0.00 0.00 61.69 58.96 2wr9 s THR 52 Cb -0.06 -2.25 0.21 0.00 1.34 0.00 0.00 72.50 71.74 2wr9 s THR 52 CO -0.00 0.00 1.78 0.74 -0.54 0.00 0.00 174.62 176.59 2wr9 h THR 53 N 0.88 0.81 -0.25 3.99 2.02 -1.53 -2.43 112.91 116.40 2wr9 h THR 53 Ca -0.38 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 66.62 2wr9 h THR 53 Cb 1.30 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2wr9 h THR 53 CO 0.60 0.12 0.17 -0.09 0.37 0.00 0.00 175.52 176.69 2wr9 h ARG 54 N 0.63 0.14 0.00 6.66 2.43 -1.89 -2.92 114.38 119.44 2wr9 h ARG 54 Ca 0.40 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2wr9 h ARG 54 Cb 0.48 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2wr9 h ARG 54 CO -0.31 0.09 0.00 -0.44 -1.51 0.00 0.00 179.97 177.81 2wr9 h ASP 55 N 0.15 0.00 -0.01 -3.80 3.32 -1.83 -3.49 116.42 110.76 2wr9 h ASP 55 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2wr9 h ASP 55 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2wr9 h ASP 55 CO -0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.11 2wr9 n GLY 56 N 0.44 -0.31 3.91 2.75 0.00 -1.10 -4.90 105.19 105.98 2wr9 n GLY 56 Ca 0.03 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 2wr9 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wr9 s PRO 57 N 0.00 3.60 0.12 1.61 0.04 -1.26 -4.62 135.00 134.50 2wr9 s PRO 57 Ca 0.00 -0.11 0.06 0.00 0.04 0.00 0.00 61.00 60.99 2wr9 s PRO 57 Cb 0.00 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2wr9 s PRO 57 CO 0.00 0.31 -0.14 1.03 0.04 0.00 0.00 177.00 178.23 2wr9 s ARG 58 N -3.35 1.04 -0.03 4.56 1.81 -0.39 -4.98 118.95 117.61 2wr9 s ARG 58 Ca 0.42 -1.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.19 2wr9 s ARG 58 Cb -0.11 -0.94 0.02 0.00 -0.45 0.00 0.00 34.95 33.48 2wr9 s ARG 58 CO 0.29 0.18 -0.02 -2.00 -0.68 0.00 0.00 175.30 173.07 2wr9 s GLU 59 N -2.66 0.47 0.11 3.54 2.12 -1.26 -0.39 118.70 120.64 2wr9 s GLU 59 Ca 0.09 -0.01 0.08 0.00 0.36 0.00 0.00 54.97 55.49 2wr9 s GLU 59 Cb -0.05 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.73 2wr9 s GLU 59 CO 0.03 -0.09 -0.15 0.00 -0.54 0.00 0.00 175.26 174.51 2wr9 s ALA 60 N 0.84 2.79 -0.14 6.30 0.00 0.59 -4.98 121.76 127.15 2wr9 s ALA 60 Ca -0.09 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.57 2wr9 s ALA 60 Cb -0.13 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.27 2wr9 s ALA 60 CO -0.01 0.61 -0.18 0.99 0.00 0.00 0.00 175.76 177.18 2wr9 s THR 61 N -1.18 1.77 0.09 0.00 2.01 -1.26 -0.85 115.64 116.22 2wr9 s THR 61 Ca 0.19 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2wr9 s THR 61 Cb -0.11 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2wr9 s THR 61 CO 0.12 0.49 0.06 -0.76 -0.69 0.00 0.00 174.62 173.84 2wr9 s LEU 62 N 1.16 1.95 -0.12 4.42 1.43 -0.60 -4.99 118.68 121.93 2wr9 s LEU 62 Ca -0.01 -1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 2wr9 s LEU 62 Cb -0.14 0.46 -0.03 0.00 0.03 0.00 0.00 46.19 46.51 2wr9 s LEU 62 CO -0.07 -0.69 -0.03 0.21 0.23 0.00 0.00 176.35 176.00 2wr9 s ASN 63 N -2.96 4.92 0.12 2.29 3.84 -1.26 -0.82 114.94 121.08 2wr9 s ASN 63 Ca 0.13 -0.02 0.13 0.00 0.21 0.00 0.00 52.86 53.31 2wr9 s ASN 63 Cb 0.07 -1.58 0.62 0.00 -0.55 0.00 0.00 41.25 39.81 2wr9 s ASN 63 CO -0.05 0.26 1.41 -1.54 -2.79 0.00 0.00 177.10 174.39 2wr9 n SER 64 N 2.90 0.26 0.00 -4.21 3.41 0.32 -4.92 113.62 111.38 2wr9 n SER 64 Ca -0.18 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2wr9 n SER 64 Cb 0.53 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2wr9 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr9 n GLY 65 N -0.75 3.72 0.00 5.00 0.00 -1.26 -0.31 105.19 111.58 2wr9 n GLY 65 Ca 0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2wr9 n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr9 n ASN 66 N 7.23 0.00 0.00 1.61 6.94 -1.26 -0.85 115.26 128.93 2wr9 n ASN 66 Ca 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 54.58 54.13 2wr9 n ASN 66 Cb 0.00 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 2wr9 n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr9 n GLY 67 N 0.62 1.43 3.63 4.83 0.00 0.57 -4.43 105.19 111.85 2wr9 n GLY 67 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2wr9 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr9 s LYS 68 N -0.59 4.11 -0.14 1.61 -0.14 -1.25 -0.72 119.74 122.63 2wr9 s LYS 68 Ca 0.00 0.42 0.02 0.00 -1.36 0.00 0.00 55.97 55.05 2wr9 s LYS 68 Cb 0.00 -3.63 0.01 0.00 -1.68 0.00 0.00 37.83 32.53 2wr9 s LYS 68 CO 0.00 -0.32 -0.20 0.42 -0.76 0.00 0.00 175.35 174.49 2wr9 s ILE 69 N 2.20 1.95 0.23 2.17 1.01 -0.11 -0.57 121.20 128.08 2wr9 s ILE 69 Ca 0.23 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 60.06 2wr9 s ILE 69 Cb -0.16 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2wr9 s ILE 69 CO 0.09 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.43 2wr9 s ARG 70 N 0.93 1.40 0.01 2.79 1.70 -0.08 0.13 118.95 125.81 2wr9 s ARG 70 Ca -0.05 -1.64 0.03 0.00 -0.47 0.00 0.00 55.73 53.59 2wr9 s ARG 70 Cb -0.15 -1.14 -0.01 0.00 -0.57 0.00 0.00 34.95 33.08 2wr9 s ARG 70 CO -0.04 0.15 -0.09 -0.06 -1.08 0.00 0.00 175.30 174.19 2wr9 s PHE 71 N -2.97 0.79 -0.07 5.89 0.08 -0.60 -0.88 117.98 120.22 2wr9 s PHE 71 Ca 0.25 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.09 2wr9 s PHE 71 Cb 0.00 -0.50 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2wr9 s PHE 71 CO 0.08 -0.01 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.90 2wr9 s GLU 72 N -0.51 1.32 -0.14 0.44 2.02 -0.81 -4.74 118.70 116.27 2wr9 s GLU 72 Ca 0.01 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.77 2wr9 s GLU 72 Cb -0.05 -1.25 -0.00 0.00 0.10 0.00 0.00 34.13 32.94 2wr9 s GLU 72 CO 0.00 -0.10 -0.17 0.08 0.02 0.00 0.00 175.26 175.09 2wr9 s VAL 73 N 1.08 2.51 -0.01 2.63 1.01 -1.26 -0.76 120.40 125.59 2wr9 s VAL 73 Ca -0.08 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.14 2wr9 s VAL 73 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2wr9 s VAL 73 CO -0.01 0.53 -0.21 -0.94 0.00 0.00 0.00 175.10 174.47 2wr9 s SER 74 N 0.71 2.46 -0.07 3.32 1.04 -0.42 -0.60 113.70 120.14 2wr9 s SER 74 Ca -0.08 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 55.96 2wr9 s SER 74 Cb -0.16 -0.27 0.02 0.00 0.10 0.00 0.00 66.02 65.72 2wr9 s SER 74 CO 0.01 0.25 -0.03 -0.69 0.98 0.00 0.00 173.24 173.76 2wr9 s VAL 75 N -0.52 0.58 -1.45 5.02 1.01 -0.65 -1.29 120.40 123.09 2wr9 s VAL 75 Ca 0.08 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2wr9 s VAL 75 Cb -0.08 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.69 2wr9 s VAL 75 CO -0.01 0.27 1.02 0.59 0.00 0.00 0.00 175.10 176.98 2wr9 n ASN 76 N 4.71 -5.59 0.00 3.32 3.02 -1.26 -0.97 115.26 118.48 2wr9 n ASN 76 Ca -0.14 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 2wr9 n ASN 76 Cb 0.50 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 2wr9 n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr9 n GLY 77 N -1.80 0.39 3.33 7.41 0.00 -1.26 -5.02 105.19 108.25 2wr9 n GLY 77 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2wr9 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr9 s LYS 78 N -0.55 3.17 0.24 1.61 1.02 -0.14 -5.09 119.74 119.98 2wr9 s LYS 78 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2wr9 s LYS 78 Cb 0.00 -2.49 -0.10 0.00 -0.52 0.00 0.00 37.83 34.72 2wr9 s LYS 78 CO 0.00 0.25 1.46 -1.25 -0.92 0.00 0.00 175.35 174.89 2wr9 s PRO 79 N 0.22 4.26 0.43 -1.68 0.05 -1.26 -1.64 135.00 135.37 2wr9 s PRO 79 Ca -0.11 2.31 -0.21 0.00 0.05 0.00 0.00 61.00 63.05 2wr9 s PRO 79 Cb -0.16 -3.12 -0.11 0.00 0.05 0.00 0.00 34.50 31.17 2wr9 s PRO 79 CO 0.06 -0.45 0.94 -1.12 0.05 0.00 0.00 177.00 176.48 2wr9 s SER 80 N 0.49 6.94 0.27 6.66 0.01 0.23 -4.93 113.70 123.36 2wr9 s SER 80 Ca 0.61 1.68 -0.29 0.00 1.31 0.00 0.00 55.95 59.25 2wr9 s SER 80 Cb -0.42 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.18 2wr9 s SER 80 CO 0.42 -0.36 1.33 0.00 0.41 0.00 0.00 173.24 175.04 2wr9 s ALA 81 N -2.17 3.53 0.22 1.44 0.00 -1.00 -4.76 121.76 119.02 2wr9 s ALA 81 Ca 0.62 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.88 2wr9 s ALA 81 Cb -0.09 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 2wr9 s ALA 81 CO 0.13 -0.61 -0.14 0.95 0.00 0.00 0.00 175.76 176.09 2wr9 s THR 82 N -0.54 1.79 0.04 0.00 -4.23 -1.26 -1.35 115.64 110.09 2wr9 s THR 82 Ca 0.53 -2.22 -0.05 0.00 -1.18 0.00 0.00 61.69 58.77 2wr9 s THR 82 Cb -0.39 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 2wr9 s THR 82 CO 0.46 -0.55 0.08 -0.62 -0.54 0.00 0.00 174.62 173.45 2wr9 s ASP 83 N -3.34 0.21 0.07 3.99 -1.08 -0.61 -4.55 116.67 111.35 2wr9 s ASP 83 Ca 0.24 -0.57 -0.13 0.00 -0.52 0.00 0.00 52.55 51.56 2wr9 s ASP 83 Cb -0.01 0.22 0.02 0.00 -1.46 0.00 0.00 42.92 41.69 2wr9 s ASP 83 CO 0.08 -0.51 0.30 0.00 0.52 0.00 0.00 175.17 175.57 2wr9 s ALA 84 N -2.66 -0.65 0.07 3.66 0.00 -1.26 -1.04 121.76 119.89 2wr9 s ALA 84 Ca -0.05 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 2wr9 s ALA 84 Cb -0.01 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.56 2wr9 s ALA 84 CO -0.05 -0.47 0.36 -0.98 0.00 0.00 0.00 175.76 174.62 2wr9 s ARG 85 N -3.03 0.92 0.10 0.00 1.70 -0.34 -5.01 118.95 113.30 2wr9 s ARG 85 Ca -0.02 -0.55 -0.05 0.00 -0.47 0.00 0.00 55.73 54.65 2wr9 s ARG 85 Cb 0.01 0.40 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 2wr9 s ARG 85 CO -0.06 -0.32 0.33 -0.51 -1.08 0.00 0.00 175.30 173.66 2wr9 s LEU 86 N -2.31 4.31 -0.40 -1.89 1.43 -1.26 -1.08 118.68 117.48 2wr9 s LEU 86 Ca -0.02 0.55 0.10 0.00 -1.03 0.00 0.00 54.13 53.73 2wr9 s LEU 86 Cb 0.00 -3.10 0.31 0.00 0.03 0.00 0.00 46.19 43.44 2wr9 s LEU 86 CO -0.06 0.12 0.77 0.00 0.23 0.00 0.00 176.35 177.41 2wr9 n ALA 87 N 0.40 1.34 -1.77 4.21 0.00 -0.12 -4.97 120.51 119.60 2wr9 n ALA 87 Ca -0.05 -2.90 -0.37 0.00 0.00 0.00 0.00 53.44 50.12 2wr9 n ALA 87 Cb 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2wr9 n ALA 87 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wr9 s PRO 88 N -1.43 3.51 -0.38 0.00 0.04 -1.26 -3.91 135.00 131.57 2wr9 s PRO 88 Ca 0.35 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2wr9 s PRO 88 Cb 0.29 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.63 2wr9 s PRO 88 CO -0.09 -0.76 0.21 0.42 0.04 0.00 0.00 177.00 176.82 2wr9 s ILE 89 N -1.58 4.51 -0.39 0.56 1.01 0.17 -4.96 121.20 120.52 2wr9 s ILE 89 Ca 0.68 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 2wr9 s ILE 89 Cb -0.29 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.67 2wr9 s ILE 89 CO 0.34 -0.27 0.23 0.20 0.00 0.00 0.00 174.94 175.44 2wr9 s ASN 90 N 1.61 5.77 0.00 3.58 0.01 -1.26 -0.84 114.94 123.82 2wr9 s ASN 90 Ca 0.02 -1.10 0.00 0.00 -0.71 0.00 0.00 52.86 51.07 2wr9 s ASN 90 Cb -0.20 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.43 2wr9 s ASN 90 CO 0.06 -0.43 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 2wr9 n GLY 91 N 5.01 4.88 2.90 0.66 0.00 -0.59 -4.98 105.19 113.07 2wr9 n GLY 91 Ca -0.11 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 2wr9 n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wr9 s LYS 92 N -1.30 0.07 0.92 1.61 2.20 -1.26 -1.55 119.74 120.43 2wr9 s LYS 92 Ca 0.00 0.42 -0.12 0.00 -0.36 0.00 0.00 55.97 55.92 2wr9 s LYS 92 Cb 0.00 -0.21 0.14 0.00 -1.51 0.00 0.00 37.83 36.26 2wr9 s LYS 92 CO 0.00 -0.21 1.09 0.15 -0.36 0.00 0.00 175.35 176.02 2wr9 s LYS 93 N 1.49 1.03 0.41 4.03 1.02 0.60 -4.86 119.74 123.46 2wr9 s LYS 93 Ca -0.06 0.84 0.10 0.00 0.02 0.00 0.00 55.97 56.88 2wr9 s LYS 93 Cb -0.12 -1.78 0.91 0.00 -0.52 0.00 0.00 37.83 36.32 2wr9 s LYS 93 CO -0.06 -2.40 1.98 0.66 -0.92 0.00 0.00 175.35 174.61 2wr9 h SER 94 N -1.67 0.48 0.00 2.83 4.64 -2.02 0.30 113.55 118.12 2wr9 h SER 94 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2wr9 h SER 94 Cb 1.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wr9 h SER 94 CO 0.54 0.30 0.00 -0.90 -0.87 0.00 0.00 176.83 175.90 2wr9 n ASP 95 N -4.48 0.00 0.00 4.97 5.68 -1.26 -4.88 116.55 116.59 2wr9 n ASP 95 Ca 0.09 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 2wr9 n ASP 95 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 2wr9 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wr9 n GLY 96 N 0.45 1.10 3.72 6.12 0.00 0.11 -5.04 105.19 111.65 2wr9 n GLY 96 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2wr9 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr9 s SER 97 N -2.74 6.86 0.45 1.61 0.01 -1.26 -4.64 113.70 113.99 2wr9 s SER 97 Ca 0.00 2.35 -0.22 0.00 1.31 0.00 0.00 55.95 59.39 2wr9 s SER 97 Cb 0.00 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.55 2wr9 s SER 97 CO 0.00 -0.60 1.06 -2.16 0.41 0.00 0.00 173.24 171.95 2wr9 s PRO 98 N 0.58 3.94 0.14 12.44 0.04 -1.26 -0.29 135.00 150.59 2wr9 s PRO 98 Ca 0.61 1.48 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2wr9 s PRO 98 Cb -0.37 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 2wr9 s PRO 98 CO 0.34 -0.33 -0.10 -0.59 0.04 0.00 0.00 177.00 176.36 2wr9 s PHE 99 N -1.79 1.22 -0.04 0.56 -0.12 -0.60 -4.89 117.98 112.33 2wr9 s PHE 99 Ca 0.63 -0.77 0.01 0.00 -0.05 0.00 0.00 56.93 56.74 2wr9 s PHE 99 Cb -0.20 -0.63 0.03 0.00 -0.63 0.00 0.00 43.02 41.58 2wr9 s PHE 99 CO 0.25 0.06 -0.01 0.99 -0.05 0.00 0.00 175.22 176.45 2wr9 s THR 100 N -3.35 0.30 -0.16 -4.49 2.01 -1.26 -1.54 115.64 107.14 2wr9 s THR 100 Ca 0.16 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.19 2wr9 s THR 100 Cb 0.03 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.17 2wr9 s THR 100 CO -0.00 0.17 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.24 2wr9 s VAL 101 N 1.02 2.43 -0.06 3.82 1.01 -0.02 -4.79 120.40 123.83 2wr9 s VAL 101 Ca -0.10 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2wr9 s VAL 101 Cb -0.14 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2wr9 s VAL 101 CO -0.01 0.52 0.30 0.20 0.00 0.00 0.00 175.10 176.11 2wr9 s ASN 102 N 0.96 6.63 0.05 3.32 0.01 0.58 -0.66 114.94 125.82 2wr9 s ASN 102 Ca -0.03 0.75 0.03 0.00 -0.71 0.00 0.00 52.86 52.90 2wr9 s ASN 102 Cb -0.15 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.31 2wr9 s ASN 102 CO -0.03 0.35 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.44 2wr9 s PHE 103 N -0.97 0.89 0.02 2.20 0.08 -1.25 -1.73 117.98 117.21 2wr9 s PHE 103 Ca 0.20 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.86 2wr9 s PHE 103 Cb -0.15 -0.52 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 2wr9 s PHE 103 CO 0.09 -0.02 -0.16 0.20 -0.10 0.00 0.00 175.22 175.23 2wr9 s GLY 104 N -1.46 0.84 -0.07 4.36 0.00 -0.05 -0.95 107.32 109.99 2wr9 s GLY 104 Ca -0.05 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 43.89 2wr9 s GLY 104 CO 0.01 -0.73 -0.13 -0.42 0.00 0.00 0.00 173.10 171.83 2wr9 s ILE 105 N -0.63 1.24 -0.04 0.90 1.01 -0.24 -0.02 121.20 123.41 2wr9 s ILE 105 Ca 0.05 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2wr9 s ILE 105 Cb -0.07 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 2wr9 s ILE 105 CO 0.01 0.38 -0.25 -0.69 0.00 0.00 0.00 174.94 174.38 2wr9 s VAL 106 N 0.73 2.07 0.26 2.92 1.01 0.38 -1.20 120.40 126.58 2wr9 s VAL 106 Ca -0.13 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 60.82 2wr9 s VAL 106 Cb -0.16 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 2wr9 s VAL 106 CO 0.03 0.57 -0.00 0.68 0.00 0.00 0.00 175.10 176.38 2wr9 s VAL 107 N -0.35 1.21 0.10 2.92 -7.23 -0.20 -1.71 120.40 115.13 2wr9 s VAL 107 Ca 0.02 -2.05 -0.24 0.00 -1.81 0.00 0.00 61.98 57.90 2wr9 s VAL 107 Cb -0.12 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.42 2wr9 s VAL 107 CO 0.02 -0.25 0.59 -0.94 -0.31 0.00 0.00 175.10 174.21 2wr9 s SER 108 N -3.37 -0.54 -0.09 4.85 1.04 -1.13 -1.57 113.70 112.88 2wr9 s SER 108 Ca 0.30 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2wr9 s SER 108 Cb 0.06 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.76 2wr9 s SER 108 CO 0.11 -0.85 -0.07 -0.70 0.98 0.00 0.00 173.24 172.71 2wr9 s GLU 109 N -3.03 1.33 0.00 4.02 2.56 -0.45 -1.79 118.70 121.34 2wr9 s GLU 109 Ca -0.02 -0.21 0.25 0.00 0.00 0.00 0.00 54.97 54.99 2wr9 s GLU 109 Cb -0.01 -1.38 0.90 0.00 2.00 0.00 0.00 34.13 35.64 2wr9 s GLU 109 CO -0.06 -0.20 1.65 -0.40 -0.56 0.00 0.00 175.26 175.68 2wr9 n ASP 110 N 4.69 1.63 -0.00 -1.70 5.68 -1.26 -2.36 116.55 123.23 2wr9 n ASP 110 Ca -0.15 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 2wr9 n ASP 110 Cb 0.50 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 2wr9 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wr9 n GLY 111 N 1.17 1.99 0.00 6.12 0.00 -1.26 -4.95 105.19 108.26 2wr9 n GLY 111 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2wr9 n GLY 111 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wr9 n HIS 112 N -1.01 0.00 -2.11 1.61 8.25 -1.26 -5.11 115.22 115.59 2wr9 n HIS 112 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wr9 n HIS 112 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wr9 n HIS 112 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wr9 n ASP 113 N -1.11 0.00 -0.30 0.41 5.68 -1.26 -5.06 116.55 114.91 2wr9 n ASP 113 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 2wr9 n ASP 113 Cb 0.00 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.15 2wr9 n ASP 113 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2wr9 n SER 114 N 0.00 2.43 0.17 -1.12 7.64 -1.26 -4.78 113.62 116.70 2wr9 n SER 114 Ca 0.00 -3.24 0.08 0.00 1.01 0.00 0.00 58.87 56.71 2wr9 n SER 114 Cb 0.00 -0.47 0.08 0.00 -1.01 0.00 0.00 64.21 62.81 2wr9 n SER 114 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2wr9 h ASP 115 N 0.42 0.00 -4.21 6.43 2.03 -1.97 -3.47 116.42 115.64 2wr9 h ASP 115 Ca 0.01 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.96 2wr9 h ASP 115 Cb 1.08 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 2wr9 h ASP 115 CO 0.04 0.22 -0.48 -1.22 -1.03 0.00 0.00 179.24 176.77 2wr9 n TYR 116 N -3.09 -1.56 -0.77 4.15 4.02 -1.26 -4.83 117.16 113.82 2wr9 n TYR 116 Ca 0.02 0.24 0.04 0.00 -0.01 0.00 0.00 57.90 58.18 2wr9 n TYR 116 Cb 0.63 -3.45 0.06 0.00 -0.02 0.00 0.00 39.34 36.56 2wr9 n TYR 116 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2wr9 n ASN 117 N -2.13 1.68 0.06 7.72 0.23 -1.04 -3.03 115.26 118.75 2wr9 n ASN 117 Ca -0.13 -2.32 -0.11 0.00 -0.53 0.00 0.00 54.58 51.49 2wr9 n ASN 117 Cb 0.61 -0.19 -0.08 0.00 -2.08 0.00 0.00 39.78 38.04 2wr9 n ASN 117 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wr9 h ASP 118 N 0.00 -0.20 -3.12 0.53 3.32 -1.51 -3.07 116.42 112.38 2wr9 h ASP 118 Ca 0.00 -0.34 -0.67 0.00 0.02 0.00 0.00 57.03 56.04 2wr9 h ASP 118 Cb 0.86 0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.11 2wr9 h ASP 118 CO 0.00 0.34 -0.86 -0.83 -1.72 0.00 0.00 179.24 176.16 2wr9 s GLY 119 N -3.21 1.38 -0.03 2.75 0.00 -1.26 -1.17 107.32 105.77 2wr9 s GLY 119 Ca -0.13 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 43.47 2wr9 s GLY 119 CO 0.49 0.15 -0.17 -0.42 0.00 0.00 0.00 173.10 173.15 2wr9 s ILE 120 N 1.09 1.41 -0.06 0.90 1.01 -0.04 -2.84 121.20 122.66 2wr9 s ILE 120 Ca -0.00 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.95 2wr9 s ILE 120 Cb -0.14 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.14 2wr9 s ILE 120 CO -0.08 0.40 -0.15 -0.69 0.00 0.00 0.00 174.94 174.42 2wr9 s VAL 121 N -0.16 1.36 -0.18 2.92 1.01 -0.70 -1.54 120.40 123.11 2wr9 s VAL 121 Ca 0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2wr9 s VAL 121 Cb -0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2wr9 s VAL 121 CO 0.01 0.40 -0.07 -0.69 0.00 0.00 0.00 175.10 174.75 2wr9 s VAL 122 N 0.42 3.39 -0.05 2.92 1.01 -0.18 -0.47 120.40 127.44 2wr9 s VAL 122 Ca -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2wr9 s VAL 122 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2wr9 s VAL 122 CO 0.04 0.46 0.16 -0.76 0.00 0.00 0.00 175.10 175.00 2wr9 s LEU 123 N 0.95 4.33 -0.06 3.92 1.43 0.97 -0.47 118.68 129.75 2wr9 s LEU 123 Ca -0.01 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2wr9 s LEU 123 Cb -0.15 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.72 2wr9 s LEU 123 CO 0.00 0.32 0.14 -1.58 0.23 0.00 0.00 176.35 175.47 2wr9 s GLN 124 N -1.57 0.15 0.11 1.70 -0.44 -0.30 -0.87 119.66 118.44 2wr9 s GLN 124 Ca 0.22 0.24 -0.21 0.00 -2.50 0.00 0.00 55.36 53.11 2wr9 s GLN 124 Cb -0.12 0.02 0.06 0.00 -1.64 0.00 0.00 33.01 31.33 2wr9 s GLN 124 CO 0.13 -0.05 0.53 1.67 0.50 0.00 0.00 175.29 178.07 2wr9 s TRP 125 N 0.32 -0.43 0.83 1.67 -2.14 -0.71 -0.53 118.94 117.96 2wr9 s TRP 125 Ca -0.02 0.29 -0.12 0.00 2.66 0.00 0.00 56.10 58.92 2wr9 s TRP 125 Cb -0.03 0.42 0.09 0.00 -3.10 0.00 0.00 33.47 30.84 2wr9 s TRP 125 CO -0.01 -0.75 1.10 -1.25 -2.66 0.00 0.00 176.95 173.38 2wr9 s PRO 126 N -3.29 1.80 0.22 3.25 0.04 -1.26 -0.31 135.00 135.44 2wr9 s PRO 126 Ca -0.01 0.61 0.01 0.00 0.04 0.00 0.00 61.00 61.65 2wr9 s PRO 126 Cb -0.00 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2wr9 s PRO 126 CO -0.09 -1.81 0.05 0.44 0.04 0.00 0.00 177.00 175.63 2wr9 n ILE 127 N -3.56 0.00 -1.34 0.56 -5.35 -1.26 -4.97 119.36 103.44 2wr9 n ILE 127 Ca 0.07 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 2wr9 n ILE 127 Cb 0.57 0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 2wr9 n ILE 127 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40