#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww4 s ARG 2 N 0.00 3.57 0.10 2.12 3.52 -1.26 -4.08 118.95 122.91 2ww4 s ARG 2 Ca 0.00 -0.41 0.08 0.00 -0.13 0.00 0.00 55.73 55.28 2ww4 s ARG 2 Cb 0.00 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 2ww4 s ARG 2 CO 0.00 0.41 -0.22 0.95 -0.81 0.00 0.00 175.30 175.64 2ww4 s THR 3 N -0.07 1.76 -0.02 4.11 -4.23 -0.64 -4.98 115.64 111.57 2ww4 s THR 3 Ca 0.04 -1.52 0.05 0.00 -1.18 0.00 0.00 61.69 59.08 2ww4 s THR 3 Cb -0.13 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 2ww4 s THR 3 CO 0.02 -0.01 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.83 2ww4 s GLN 4 N -1.83 2.36 -0.06 3.99 -0.21 -1.26 -0.83 119.66 121.82 2ww4 s GLN 4 Ca 0.07 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 54.64 2ww4 s GLN 4 Cb -0.10 -2.30 0.04 0.00 1.00 0.00 0.00 33.01 31.64 2ww4 s GLN 4 CO 0.04 0.60 0.10 -1.58 -2.12 0.00 0.00 175.29 172.33 2ww4 s TRP 5 N -0.78 -0.04 0.53 0.91 0.52 0.68 -4.96 118.94 115.80 2ww4 s TRP 5 Ca 0.12 0.41 -0.19 0.00 0.02 0.00 0.00 56.10 56.46 2ww4 s TRP 5 Cb -0.11 -0.38 -0.06 0.00 -1.15 0.00 0.00 33.47 31.78 2ww4 s TRP 5 CO 0.02 -0.22 1.11 -2.14 0.02 0.00 0.00 176.95 175.74 2ww4 s PRO 6 N 2.18 3.44 -0.47 4.98 0.02 -1.26 -0.94 135.00 142.93 2ww4 s PRO 6 Ca 0.04 1.55 0.03 0.00 0.02 0.00 0.00 61.00 62.64 2ww4 s PRO 6 Cb -0.12 -2.02 0.16 0.00 0.02 0.00 0.00 34.50 32.54 2ww4 s PRO 6 CO -0.04 -0.77 0.34 0.45 -0.33 0.00 0.00 177.00 176.65 2ww4 s SER 7 N -1.85 2.78 0.71 2.53 0.15 -0.06 -4.37 113.70 113.59 2ww4 s SER 7 Ca 0.71 -3.06 -0.11 0.00 0.70 0.00 0.00 55.95 54.20 2ww4 s SER 7 Cb -0.22 -0.81 0.02 0.00 -1.71 0.00 0.00 66.02 63.30 2ww4 s SER 7 CO 0.26 -0.19 1.07 -2.16 1.20 0.00 0.00 173.24 173.42 2ww4 s PRO 8 N -0.10 2.77 0.82 5.44 0.04 -1.26 -1.23 135.00 141.47 2ww4 s PRO 8 Ca 0.26 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 2ww4 s PRO 8 Cb -0.06 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2ww4 s PRO 8 CO -0.13 -1.22 1.10 0.00 0.04 0.00 0.00 177.00 176.79 2ww4 s ALA 9 N -3.04 2.13 0.19 8.56 0.00 -0.59 -4.76 121.76 124.25 2ww4 s ALA 9 Ca 0.59 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.41 2ww4 s ALA 9 Cb -0.14 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2ww4 s ALA 9 CO 0.55 -1.84 -0.14 -1.59 0.00 0.00 0.00 175.76 172.74 2ww4 s LYS 10 N -5.14 1.28 0.03 0.00 0.00 -0.14 -0.62 119.74 115.16 2ww4 s LYS 10 Ca 0.61 -1.55 0.09 0.00 0.00 0.00 0.00 55.97 55.12 2ww4 s LYS 10 Cb -0.15 -1.07 -0.03 0.00 0.00 0.00 0.00 37.83 36.59 2ww4 s LYS 10 CO 0.54 0.18 -0.25 -0.51 0.00 0.00 0.00 175.35 175.32 2ww4 s LEU 11 N -3.22 2.25 -0.56 2.77 1.43 -0.21 -4.34 118.68 116.79 2ww4 s LEU 11 Ca 0.21 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 2ww4 s LEU 11 Cb -0.01 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.91 2ww4 s LEU 11 CO 0.06 0.27 0.94 0.20 0.23 0.00 0.00 176.35 178.05 2ww4 s ASN 12 N -1.18 6.32 0.25 2.29 -0.87 -1.26 -1.63 114.94 118.86 2ww4 s ASN 12 Ca 0.12 -0.41 0.03 0.00 -1.57 0.00 0.00 52.86 51.03 2ww4 s ASN 12 Cb -0.10 -2.43 0.30 0.00 -0.02 0.00 0.00 41.25 38.99 2ww4 s ASN 12 CO 0.02 -1.25 1.61 -0.07 -2.57 0.00 0.00 177.10 174.84 2ww4 h LEU 13 N 11.01 0.38 -8.15 0.60 3.38 -0.31 -3.44 115.31 118.77 2ww4 h LEU 13 Ca -0.26 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2ww4 h LEU 13 Cb 1.07 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.55 2ww4 h LEU 13 CO 1.10 0.81 -0.69 0.72 0.09 0.00 0.00 178.44 180.47 2ww4 s PHE 14 N -4.02 0.43 -0.25 1.13 -0.12 -1.24 -4.48 117.98 109.44 2ww4 s PHE 14 Ca -0.05 -0.89 -0.02 0.00 -0.05 0.00 0.00 56.93 55.91 2ww4 s PHE 14 Cb 0.12 -0.32 0.14 0.00 -0.63 0.00 0.00 43.02 42.33 2ww4 s PHE 14 CO 0.80 -0.32 0.39 -1.17 -0.05 0.00 0.00 175.22 174.87 2ww4 s LEU 15 N -2.44 -0.67 -0.12 -1.99 0.20 -0.68 -1.64 118.68 111.34 2ww4 s LEU 15 Ca -0.00 0.21 0.01 0.00 0.69 0.00 0.00 54.13 55.04 2ww4 s LEU 15 Cb 0.02 1.15 -0.01 0.00 -0.43 0.00 0.00 46.19 46.92 2ww4 s LEU 15 CO -0.07 -0.30 -0.17 -0.31 -0.29 0.00 0.00 176.35 175.20 2ww4 s TYR 16 N 2.56 2.71 -0.40 5.38 2.02 -0.05 -0.31 117.35 129.26 2ww4 s TYR 16 Ca 0.13 -0.82 -0.17 0.00 -0.37 0.00 0.00 57.07 55.84 2ww4 s TYR 16 Cb -0.15 -1.79 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 2ww4 s TYR 16 CO -0.17 -0.30 0.45 0.42 -1.57 0.00 0.00 175.55 174.38 2ww4 s ILE 17 N 0.37 5.06 -0.13 2.71 1.01 -1.26 -0.40 121.20 128.55 2ww4 s ILE 17 Ca -0.14 -0.18 0.18 0.00 0.00 0.00 0.00 60.65 60.51 2ww4 s ILE 17 Cb -0.17 -4.02 -0.15 0.00 0.01 0.00 0.00 42.46 38.14 2ww4 s ILE 17 CO 0.07 -0.37 0.75 0.35 0.00 0.00 0.00 174.94 175.73 2ww4 n THR 18 N 5.45 1.02 -3.71 2.92 -2.24 -0.39 -1.72 114.28 115.62 2ww4 n THR 18 Ca -0.07 -0.67 0.02 0.00 -2.27 0.00 0.00 64.05 61.06 2ww4 n THR 18 Cb 0.48 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 2ww4 n THR 18 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww4 s GLY 19 N -4.78 -0.34 -0.04 3.38 0.00 -1.22 -4.34 107.32 99.98 2ww4 s GLY 19 Ca -0.04 0.54 -0.00 0.00 0.00 0.00 0.00 44.72 45.22 2ww4 s GLY 19 CO 0.82 1.43 -0.00 1.62 0.00 0.00 0.00 173.10 176.97 2ww4 s GLN 20 N -2.31 0.40 0.90 2.90 0.74 -1.26 -1.01 119.66 120.03 2ww4 s GLN 20 Ca 0.18 0.08 -0.14 0.00 0.05 0.00 0.00 55.36 55.53 2ww4 s GLN 20 Cb 0.04 -0.62 0.14 0.00 1.10 0.00 0.00 33.01 33.66 2ww4 s GLN 20 CO -0.03 -0.17 1.20 1.03 -0.55 0.00 0.00 175.29 176.77 2ww4 s ARG 21 N 1.26 1.22 0.44 1.67 0.52 0.02 -4.92 118.95 119.16 2ww4 s ARG 21 Ca -0.06 0.01 0.14 0.00 -0.52 0.00 0.00 55.73 55.29 2ww4 s ARG 21 Cb -0.13 -1.87 0.96 0.00 0.52 0.00 0.00 34.95 34.42 2ww4 s ARG 21 CO -0.02 -2.09 1.98 0.00 0.02 0.00 0.00 175.30 175.19 2ww4 h ALA 22 N -1.41 1.66 0.00 2.13 0.00 -2.02 -1.87 119.26 117.75 2ww4 h ALA 22 Ca -0.47 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2ww4 h ALA 22 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ww4 h ALA 22 CO 0.56 0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 2ww4 n ASP 23 N -4.31 0.00 0.00 0.00 5.75 -1.26 -4.88 116.55 111.85 2ww4 n ASP 23 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2ww4 n ASP 23 Cb 0.25 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2ww4 n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ww4 n GLY 24 N 0.89 0.53 3.72 6.12 0.00 -0.70 -5.07 105.19 110.68 2ww4 n GLY 24 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2ww4 n GLY 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ww4 s TYR 25 N -2.00 3.46 -0.14 1.61 5.04 -1.26 -4.73 117.35 119.34 2ww4 s TYR 25 Ca 0.00 1.36 -0.18 0.00 -2.44 0.00 0.00 57.07 55.81 2ww4 s TYR 25 Cb 0.00 -3.39 -0.04 0.00 0.35 0.00 0.00 41.96 38.88 2ww4 s TYR 25 CO 0.00 -1.15 0.46 -1.01 -1.34 0.00 0.00 175.55 172.52 2ww4 s HIS 26 N 0.86 3.48 0.21 4.97 3.76 -1.26 -0.80 115.29 126.50 2ww4 s HIS 26 Ca 0.57 0.84 -0.20 0.00 -0.15 0.00 0.00 55.06 56.12 2ww4 s HIS 26 Cb -0.29 -2.55 -0.08 0.00 1.11 0.00 0.00 32.58 30.77 2ww4 s HIS 26 CO 0.30 0.13 0.71 0.95 -0.85 0.00 0.00 174.74 175.98 2ww4 s THR 27 N 0.78 4.58 0.06 1.30 -4.23 -0.18 -4.98 115.64 112.97 2ww4 s THR 27 Ca 0.25 1.28 0.02 0.00 -1.18 0.00 0.00 61.69 62.06 2ww4 s THR 27 Cb -0.15 -3.87 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 2ww4 s THR 27 CO 0.10 0.25 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.58 2ww4 s LEU 28 N -1.88 2.33 -0.21 4.79 1.43 -1.26 -1.27 118.68 122.62 2ww4 s LEU 28 Ca 0.42 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2ww4 s LEU 28 Cb -0.17 -0.17 0.03 0.00 0.03 0.00 0.00 46.19 45.90 2ww4 s LEU 28 CO 0.21 -0.27 -0.14 -1.10 0.23 0.00 0.00 176.35 175.28 2ww4 s GLN 29 N -2.25 2.86 -0.01 1.70 -0.21 0.46 -4.24 119.66 117.97 2ww4 s GLN 29 Ca -0.03 -0.94 -0.12 0.00 0.02 0.00 0.00 55.36 54.29 2ww4 s GLN 29 Cb -0.06 -2.75 0.02 0.00 1.00 0.00 0.00 33.01 31.22 2ww4 s GLN 29 CO -0.01 -0.31 0.25 -0.08 -2.12 0.00 0.00 175.29 173.02 2ww4 s THR 30 N 1.28 0.07 -0.20 -0.19 -1.32 -0.73 -0.87 115.64 113.68 2ww4 s THR 30 Ca 0.02 -0.56 -0.03 0.00 -1.21 0.00 0.00 61.69 59.91 2ww4 s THR 30 Cb -0.15 -0.58 -0.01 0.00 -1.51 0.00 0.00 72.50 70.25 2ww4 s THR 30 CO -0.09 -0.31 -0.07 -0.22 -2.21 0.00 0.00 174.62 171.73 2ww4 s LEU 31 N -1.39 2.83 -0.14 9.08 2.96 -0.65 -0.25 118.68 131.11 2ww4 s LEU 31 Ca -0.13 -0.39 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 2ww4 s LEU 31 Cb -0.06 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 2ww4 s LEU 31 CO 0.03 0.02 0.06 -0.36 -1.32 0.00 0.00 176.35 174.78 2ww4 s PHE 32 N 1.26 3.31 0.05 5.38 0.08 -0.45 0.50 117.98 128.10 2ww4 s PHE 32 Ca 0.03 0.21 0.05 0.00 0.12 0.00 0.00 56.93 57.34 2ww4 s PHE 32 Cb -0.14 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2ww4 s PHE 32 CO -0.03 0.38 -0.14 -1.14 -0.10 0.00 0.00 175.22 174.20 2ww4 s GLN 33 N -0.32 0.89 0.50 0.44 0.74 -0.64 -2.23 119.66 119.04 2ww4 s GLN 33 Ca 0.09 -0.83 -0.10 0.00 0.05 0.00 0.00 55.36 54.57 2ww4 s GLN 33 Cb -0.12 -0.90 -0.05 0.00 1.10 0.00 0.00 33.01 33.03 2ww4 s GLN 33 CO 0.02 0.22 0.88 -0.06 -0.55 0.00 0.00 175.29 175.79 2ww4 s PHE 34 N -0.99 3.53 0.03 1.67 0.08 -0.98 -1.05 117.98 120.27 2ww4 s PHE 34 Ca 0.00 1.12 -0.02 0.00 0.12 0.00 0.00 56.93 58.16 2ww4 s PHE 34 Cb -0.09 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.78 2ww4 s PHE 34 CO 0.02 -0.34 0.21 -0.51 -0.10 0.00 0.00 175.22 174.50 2ww4 s LEU 35 N -4.44 4.36 -1.39 -0.37 1.43 0.21 -1.09 118.68 117.38 2ww4 s LEU 35 Ca 0.53 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.90 2ww4 s LEU 35 Cb -0.10 -2.81 0.07 0.00 0.03 0.00 0.00 46.19 43.38 2ww4 s LEU 35 CO 0.40 0.21 2.43 -0.67 0.23 0.00 0.00 176.35 178.95 2ww4 n ASP 36 N 0.63 7.53 -3.65 2.29 2.03 -0.41 -4.21 116.55 120.77 2ww4 n ASP 36 Ca -0.08 -2.99 -0.02 0.00 0.52 0.00 0.00 54.79 52.22 2ww4 n ASP 36 Cb 0.52 -1.44 -0.07 0.00 -0.72 0.00 0.00 41.12 39.41 2ww4 n ASP 36 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2ww4 s TYR 37 N 0.08 -0.42 -1.89 -0.67 5.04 -1.26 -4.73 117.35 113.51 2ww4 s TYR 37 Ca 0.55 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 2ww4 s TYR 37 Cb 0.17 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.77 2ww4 s TYR 37 CO -0.07 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.34 2ww4 n GLY 38 N 3.25 -0.69 3.91 8.97 0.00 -1.26 -1.55 105.19 117.81 2ww4 n GLY 38 Ca -0.17 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 2ww4 n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ww4 s ASP 39 N -4.00 6.27 -0.08 1.61 1.01 -0.37 -4.51 116.67 116.60 2ww4 s ASP 39 Ca 0.00 0.87 0.02 0.00 0.71 0.00 0.00 52.55 54.15 2ww4 s ASP 39 Cb 0.00 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.72 2ww4 s ASP 39 CO 0.00 -0.54 -0.13 -0.89 0.21 0.00 0.00 175.17 173.82 2ww4 s THR 40 N -2.69 1.23 -0.17 -1.27 2.01 -0.70 -0.88 115.64 113.17 2ww4 s THR 40 Ca 0.46 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 2ww4 s THR 40 Cb -0.10 -1.13 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 2ww4 s THR 40 CO 0.44 0.38 -0.12 -0.63 -0.69 0.00 0.00 174.62 174.00 2ww4 s ILE 41 N 0.75 2.93 -0.10 1.82 1.01 -0.12 -0.21 121.20 127.27 2ww4 s ILE 41 Ca -0.13 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 2ww4 s ILE 41 Cb -0.16 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2ww4 s ILE 41 CO 0.03 0.49 -0.04 -0.44 0.00 0.00 0.00 174.94 174.98 2ww4 s SER 42 N 0.95 4.85 -0.02 3.58 0.01 0.95 -0.23 113.70 123.80 2ww4 s SER 42 Ca -0.02 -0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.26 2ww4 s SER 42 Cb -0.15 -1.47 -0.01 0.00 0.21 0.00 0.00 66.02 64.60 2ww4 s SER 42 CO -0.01 0.29 -0.13 -0.63 0.41 0.00 0.00 173.24 173.18 2ww4 s ILE 43 N -0.39 1.03 -0.09 1.44 1.01 -0.01 -0.61 121.20 123.58 2ww4 s ILE 43 Ca 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.18 2ww4 s ILE 43 Cb -0.12 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.50 2ww4 s ILE 43 CO 0.02 0.30 -0.09 -0.70 0.00 0.00 0.00 174.94 174.47 2ww4 s GLU 44 N -0.19 1.53 0.58 2.79 2.12 -0.33 -1.63 118.70 123.58 2ww4 s GLU 44 Ca 0.03 -0.30 -0.18 0.00 0.36 0.00 0.00 54.97 54.88 2ww4 s GLU 44 Cb -0.06 -1.44 -0.04 0.00 0.26 0.00 0.00 34.13 32.84 2ww4 s GLU 44 CO -0.00 -0.13 1.11 -0.51 -0.54 0.00 0.00 175.26 175.18 2ww4 s LEU 45 N 1.23 3.62 0.17 2.70 1.43 -1.26 -0.20 118.68 126.37 2ww4 s LEU 45 Ca -0.04 2.07 0.08 0.00 -1.03 0.00 0.00 54.13 55.20 2ww4 s LEU 45 Cb -0.14 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 2ww4 s LEU 45 CO -0.03 -1.30 -0.16 -0.13 0.23 0.00 0.00 176.35 174.96 2ww4 s ARG 46 N -3.61 1.25 -0.12 1.70 0.52 -0.51 -4.77 118.95 113.42 2ww4 s ARG 46 Ca 0.70 -1.44 0.16 0.00 -0.52 0.00 0.00 55.73 54.62 2ww4 s ARG 46 Cb -0.21 -1.18 0.27 0.00 0.52 0.00 0.00 34.95 34.35 2ww4 s ARG 46 CO 0.32 0.22 1.14 -0.40 0.02 0.00 0.00 175.30 176.60 2ww4 n ASP 47 N 0.09 1.98 -0.36 0.23 5.75 -1.24 -2.39 116.55 120.61 2ww4 n ASP 47 Ca -0.12 -3.01 0.05 0.00 -0.01 0.00 0.00 54.79 51.71 2ww4 n ASP 47 Cb 0.58 -0.41 0.12 0.00 -1.03 0.00 0.00 41.12 40.39 2ww4 n ASP 47 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2ww4 n ASP 48 N -1.21 2.70 0.00 -1.12 5.75 -1.01 -4.35 116.55 117.31 2ww4 n ASP 48 Ca 0.14 -2.45 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 2ww4 n ASP 48 Cb 0.66 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 2ww4 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ww4 n GLY 49 N -0.45 0.91 3.86 6.12 0.00 0.02 -4.93 105.19 110.72 2ww4 n GLY 49 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2ww4 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww4 s ASP 50 N -2.87 6.69 -0.15 1.61 2.15 -1.26 -4.72 116.67 118.12 2ww4 s ASP 50 Ca 0.00 1.08 0.02 0.00 0.43 0.00 0.00 52.55 54.07 2ww4 s ASP 50 Cb 0.00 -2.29 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 2ww4 s ASP 50 CO 0.00 -0.12 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.05 2ww4 s ILE 51 N -1.87 2.18 -0.07 4.11 -1.09 -1.26 -0.33 121.20 122.87 2ww4 s ILE 51 Ca 0.50 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 2ww4 s ILE 51 Cb -0.11 -1.89 0.01 0.00 -1.58 0.00 0.00 42.46 38.89 2ww4 s ILE 51 CO 0.20 0.54 -0.15 -0.13 -1.23 0.00 0.00 174.94 174.17 2ww4 s ARG 52 N 0.92 1.97 -0.42 2.79 0.52 0.25 -4.97 118.95 120.00 2ww4 s ARG 52 Ca -0.04 -0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 2ww4 s ARG 52 Cb -0.15 -1.58 0.02 0.00 0.52 0.00 0.00 34.95 33.76 2ww4 s ARG 52 CO -0.04 0.06 0.39 -1.17 0.02 0.00 0.00 175.30 174.57 2ww4 s LEU 53 N 0.58 4.95 0.20 2.53 2.96 -1.26 0.34 118.68 128.97 2ww4 s LEU 53 Ca -0.15 -0.75 0.25 0.00 -0.22 0.00 0.00 54.13 53.26 2ww4 s LEU 53 Cb -0.16 -2.31 0.63 0.00 0.50 0.00 0.00 46.19 44.85 2ww4 s LEU 53 CO 0.05 -0.53 1.62 -0.07 -1.32 0.00 0.00 176.35 176.09 2ww4 h LEU 54 N 8.91 0.00 -7.84 -0.68 3.38 -1.24 -3.42 115.31 114.42 2ww4 h LEU 54 Ca -0.27 -0.06 -0.68 0.00 0.09 0.00 0.00 57.88 56.96 2ww4 h LEU 54 Cb 1.11 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.51 2ww4 h LEU 54 CO 0.77 0.03 -0.64 0.42 0.09 0.00 0.00 178.44 179.11 2ww4 s THR 55 N -3.13 2.91 0.46 0.22 -4.23 -1.26 -5.05 115.64 105.56 2ww4 s THR 55 Ca 0.09 -1.95 -0.23 0.00 -1.18 0.00 0.00 61.69 58.41 2ww4 s THR 55 Cb 0.12 -2.94 -0.09 0.00 1.34 0.00 0.00 72.50 70.93 2ww4 s THR 55 CO 0.64 -0.50 1.11 -2.65 -0.54 0.00 0.00 174.62 172.68 2ww4 n PRO 56 N 4.51 1.48 -4.01 3.99 -0.02 -1.26 -4.74 135.00 134.95 2ww4 n PRO 56 Ca -0.04 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.63 2ww4 n PRO 56 Cb 0.42 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 2ww4 n PRO 56 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ww4 s VAL 57 N -1.29 4.58 -0.35 -1.45 1.01 -1.26 -5.03 120.40 116.61 2ww4 s VAL 57 Ca 0.65 -0.10 -0.41 0.00 0.00 0.00 0.00 61.98 62.12 2ww4 s VAL 57 Cb -0.51 -3.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.64 2ww4 s VAL 57 CO 0.55 0.44 1.85 1.21 0.00 0.00 0.00 175.10 179.15 2ww4 n GLU 58 N 3.83 0.84 -0.89 2.72 2.13 -1.26 -1.48 120.64 126.54 2ww4 n GLU 58 Ca -0.17 0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2ww4 n GLU 58 Cb 0.52 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.22 2ww4 n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ww4 n GLY 59 N 4.99 0.49 2.84 8.31 0.00 -1.26 -5.04 105.19 115.51 2ww4 n GLY 59 Ca 0.33 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 2ww4 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww4 s VAL 60 N -2.00 0.64 0.77 1.61 1.01 -0.55 -5.15 120.40 116.73 2ww4 s VAL 60 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2ww4 s VAL 60 Cb 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 36.38 35.72 2ww4 s VAL 60 CO 0.00 0.30 1.12 -0.70 0.00 0.00 0.00 175.10 175.82 2ww4 s GLU 61 N 1.72 2.11 0.17 2.72 2.56 -1.26 -4.38 118.70 122.34 2ww4 s GLU 61 Ca 0.03 1.38 -0.19 0.00 0.00 0.00 0.00 54.97 56.19 2ww4 s GLU 61 Cb -0.13 -1.86 0.10 0.00 2.00 0.00 0.00 34.13 34.24 2ww4 s GLU 61 CO -0.05 -1.79 1.64 1.25 -0.56 0.00 0.00 175.26 175.75 2ww4 h HIS 62 N -0.90 -0.43 0.00 5.30 6.17 -1.97 -1.50 115.15 121.83 2ww4 h HIS 62 Ca -0.45 0.04 0.00 0.00 0.71 0.00 0.00 60.37 60.68 2ww4 h HIS 62 Cb 1.25 0.25 0.00 0.00 2.52 0.00 0.00 27.41 31.43 2ww4 h HIS 62 CO 0.54 -0.26 0.00 0.39 0.71 0.00 0.00 177.93 179.31 2ww4 n GLU 63 N -5.36 0.11 0.01 5.26 -0.58 -1.26 -2.35 120.64 116.46 2ww4 n GLU 63 Ca 0.02 0.11 0.11 0.00 -0.42 0.00 0.00 57.16 56.98 2ww4 n GLU 63 Cb 0.27 -1.63 0.08 0.00 -0.57 0.00 0.00 31.44 29.59 2ww4 n GLU 63 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2ww4 n ASP 64 N -1.81 0.67 -4.71 1.62 9.92 -0.64 -4.56 116.55 117.04 2ww4 n ASP 64 Ca 0.06 -0.45 -0.42 0.00 -0.53 0.00 0.00 54.79 53.46 2ww4 n ASP 64 Cb 0.36 0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 41.43 2ww4 n ASP 64 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2ww4 s ASN 65 N -3.28 6.55 0.59 -2.24 3.84 -0.77 -4.85 114.94 114.77 2ww4 s ASN 65 Ca 0.08 2.65 0.28 0.00 0.21 0.00 0.00 52.86 56.08 2ww4 s ASN 65 Cb 0.16 -2.59 1.62 0.00 -0.55 0.00 0.00 41.25 39.89 2ww4 s ASN 65 CO 0.78 -0.86 2.06 -0.07 -2.79 0.00 0.00 177.10 176.22 2ww4 h LEU 66 N 7.08 0.00 -0.13 3.21 3.38 -1.91 0.17 115.31 127.11 2ww4 h LEU 66 Ca -0.43 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2ww4 h LEU 66 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2ww4 h LEU 66 CO 0.92 0.00 -0.11 -0.29 0.09 0.00 0.00 178.44 179.06 2ww4 h ILE 67 N 0.00 1.34 -0.24 1.22 2.10 -1.89 -0.78 117.51 119.25 2ww4 h ILE 67 Ca 0.11 -1.22 -0.17 0.00 1.08 0.00 0.00 64.86 64.66 2ww4 h ILE 67 Cb 0.61 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 2ww4 h ILE 67 CO -0.00 0.36 -0.51 0.58 -1.08 0.00 0.00 178.15 177.50 2ww4 h VAL 68 N -0.06 1.29 -0.88 2.19 2.07 -1.55 -2.38 116.25 116.93 2ww4 h VAL 68 Ca 0.02 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 2ww4 h VAL 68 Cb 0.61 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 2ww4 h VAL 68 CO 0.03 0.55 0.55 0.03 0.02 0.00 0.00 177.57 178.74 2ww4 h ARG 69 N 0.52 1.18 -0.28 1.57 3.08 -0.65 -1.19 114.38 118.62 2ww4 h ARG 69 Ca 0.01 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2ww4 h ARG 69 Cb 1.12 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2ww4 h ARG 69 CO 0.11 0.82 0.05 0.00 -1.07 0.00 0.00 179.97 179.88 2ww4 h ALA 70 N 1.30 0.37 -0.39 0.04 0.00 -1.10 -1.39 119.26 118.09 2ww4 h ALA 70 Ca 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2ww4 h ALA 70 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2ww4 h ALA 70 CO -0.06 0.06 0.12 0.00 0.00 0.00 0.00 179.25 179.36 2ww4 h ALA 71 N 0.87 0.51 -0.49 0.00 0.00 -1.06 -1.21 119.26 117.88 2ww4 h ALA 71 Ca 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2ww4 h ALA 71 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ww4 h ALA 71 CO 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 179.25 179.38 2ww4 h ARG 72 N 0.48 0.85 -0.53 0.00 3.08 -1.22 -0.88 114.38 116.16 2ww4 h ARG 72 Ca 0.12 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2ww4 h ARG 72 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2ww4 h ARG 72 CO -0.00 0.87 0.17 1.25 -1.07 0.00 0.00 179.97 181.19 2ww4 h LEU 73 N 0.78 0.78 -0.24 3.04 5.85 -1.14 -0.76 115.31 123.62 2ww4 h LEU 73 Ca 0.14 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2ww4 h LEU 73 Cb 0.52 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2ww4 h LEU 73 CO 0.03 0.78 0.12 0.25 -0.34 0.00 0.00 178.44 179.28 2ww4 h LEU 74 N 0.74 0.32 -0.13 2.25 5.85 -1.09 -0.50 115.31 122.75 2ww4 h LEU 74 Ca 0.17 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2ww4 h LEU 74 Cb 0.28 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2ww4 h LEU 74 CO -0.01 0.34 -0.10 -0.03 -0.34 0.00 0.00 178.44 178.30 2ww4 h MET 75 N 0.27 -0.11 -0.61 1.25 4.05 -1.05 -0.86 114.93 117.87 2ww4 h MET 75 Ca 0.08 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.41 2ww4 h MET 75 Cb 0.10 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2ww4 h MET 75 CO -0.01 -0.07 -0.00 1.57 0.23 0.00 0.00 176.91 178.63 2ww4 h LYS 76 N -0.11 1.08 -0.11 0.39 2.10 -1.00 -0.97 116.57 117.94 2ww4 h LYS 76 Ca 0.08 -0.34 -0.02 0.00 -2.00 0.00 0.00 60.65 58.37 2ww4 h LYS 76 Cb 0.23 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2ww4 h LYS 76 CO -0.20 1.05 -0.01 1.15 -2.00 0.00 0.00 179.45 179.44 2ww4 h THR 77 N 0.98 1.26 -0.06 0.07 2.02 -0.89 -2.31 112.91 113.98 2ww4 h THR 77 Ca 0.17 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.53 2ww4 h THR 77 Cb 0.56 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 2ww4 h THR 77 CO 0.03 0.24 -0.07 0.00 0.37 0.00 0.00 175.52 176.09 2ww4 h ALA 78 N 0.73 -0.02 -0.64 6.16 0.00 -1.11 -2.94 119.26 121.45 2ww4 h ALA 78 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ww4 h ALA 78 Cb 0.38 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2ww4 h ALA 78 CO 0.01 -0.54 0.43 0.00 0.00 0.00 0.00 179.25 179.14 2ww4 h ALA 79 N 0.96 1.68 0.00 0.00 0.00 -1.13 0.18 119.26 120.95 2ww4 h ALA 79 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ww4 h ALA 79 Cb 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ww4 h ALA 79 CO -0.12 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.12 2ww4 n ASP 80 N -4.47 0.00 -0.24 0.00 8.00 -0.87 -2.16 116.55 116.82 2ww4 n ASP 80 Ca 0.08 -0.06 0.06 0.00 0.71 0.00 0.00 54.79 55.59 2ww4 n ASP 80 Cb 0.16 -0.27 0.09 0.00 -0.02 0.00 0.00 41.12 41.08 2ww4 n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2ww4 n SER 81 N -1.27 1.45 -2.36 -2.24 3.41 -0.42 -5.00 113.62 107.19 2ww4 n SER 81 Ca 0.10 -2.68 -0.19 0.00 -0.26 0.00 0.00 58.87 55.84 2ww4 n SER 81 Cb 0.16 -0.34 0.01 0.00 -0.26 0.00 0.00 64.21 63.77 2ww4 n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww4 n GLY 82 N -0.89 -0.40 1.32 5.00 0.00 -0.84 -4.92 105.19 104.46 2ww4 n GLY 82 Ca 0.10 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2ww4 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww4 n ARG 83 N -3.15 3.35 -3.96 1.61 1.74 0.51 -4.88 116.66 111.89 2ww4 n ARG 83 Ca -0.18 -2.71 -0.31 0.00 -0.77 0.00 0.00 57.85 53.89 2ww4 n ARG 83 Cb 0.65 -1.73 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 2ww4 n ARG 83 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2ww4 s LEU 84 N -1.66 4.22 0.23 0.55 2.96 -1.25 -4.21 118.68 119.50 2ww4 s LEU 84 Ca 0.45 -2.06 -0.31 0.00 -0.22 0.00 0.00 54.13 51.99 2ww4 s LEU 84 Cb 0.28 -1.46 -0.15 0.00 0.50 0.00 0.00 46.19 45.36 2ww4 s LEU 84 CO 0.23 -0.38 1.15 -2.65 -1.32 0.00 0.00 176.35 173.37 2ww4 n PRO 85 N 4.36 1.38 -1.72 0.98 -0.02 -1.26 -4.88 135.00 133.84 2ww4 n PRO 85 Ca 0.03 0.49 -0.38 0.00 -2.02 0.00 0.00 63.50 61.61 2ww4 n PRO 85 Cb 0.42 -1.97 0.05 0.00 -0.02 0.00 0.00 33.50 31.97 2ww4 n PRO 85 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ww4 n THR 86 N 1.10 3.87 0.00 3.45 -2.24 -1.26 -1.89 114.28 117.30 2ww4 n THR 86 Ca 0.12 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2ww4 n THR 86 Cb 0.28 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 2ww4 n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww4 n GLY 87 N 0.85 2.79 3.57 3.38 0.00 -1.26 -4.99 105.19 109.52 2ww4 n GLY 87 Ca 0.11 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.56 2ww4 n GLY 87 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ww4 n SER 88 N 0.00 1.97 -3.21 1.61 7.64 -0.79 -0.80 113.62 120.04 2ww4 n SER 88 Ca 0.00 0.83 -0.11 0.00 1.01 0.00 0.00 58.87 60.61 2ww4 n SER 88 Cb 0.00 -1.12 -0.01 0.00 -1.01 0.00 0.00 64.21 62.08 2ww4 n SER 88 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ww4 s GLY 89 N 4.97 0.70 -0.19 0.23 0.00 -1.01 -3.98 107.32 108.04 2ww4 s GLY 89 Ca 1.06 -0.96 -0.28 0.00 0.00 0.00 0.00 44.72 44.53 2ww4 s GLY 89 CO 0.62 -0.54 0.87 0.00 0.00 0.00 0.00 173.10 174.05 2ww4 s ALA 90 N -2.85 -1.87 -0.09 3.20 0.00 0.55 -1.42 121.76 119.28 2ww4 s ALA 90 Ca 0.20 1.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.70 2ww4 s ALA 90 Cb -0.03 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 2ww4 s ALA 90 CO 0.14 -0.31 0.41 -0.80 0.00 0.00 0.00 175.76 175.20 2ww4 s ASN 91 N -0.44 6.67 -0.04 0.00 0.01 0.72 -0.58 114.94 121.28 2ww4 s ASN 91 Ca -0.02 0.80 0.02 0.00 -0.71 0.00 0.00 52.86 52.95 2ww4 s ASN 91 Cb -0.03 -2.25 0.01 0.00 0.41 0.00 0.00 41.25 39.39 2ww4 s ASN 91 CO 0.01 0.13 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.01 2ww4 s ILE 92 N 0.02 0.88 -0.01 0.60 1.01 0.15 -1.18 121.20 122.67 2ww4 s ILE 92 Ca 0.23 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2ww4 s ILE 92 Cb -0.15 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 2ww4 s ILE 92 CO 0.10 0.29 -0.11 -0.44 0.00 0.00 0.00 174.94 174.78 2ww4 s SER 93 N 0.49 1.27 -0.12 3.58 0.01 0.22 -0.57 113.70 118.59 2ww4 s SER 93 Ca -0.09 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.01 2ww4 s SER 93 Cb -0.12 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 65.97 2ww4 s SER 93 CO 0.02 0.13 -0.22 -0.51 0.41 0.00 0.00 173.24 173.07 2ww4 s ILE 94 N -0.24 1.96 -0.63 1.44 2.07 -1.26 -0.03 121.20 124.50 2ww4 s ILE 94 Ca 0.04 -0.94 -0.24 0.00 -1.41 0.00 0.00 60.65 58.10 2ww4 s ILE 94 Cb -0.04 -1.72 0.05 0.00 0.13 0.00 0.00 42.46 40.88 2ww4 s ILE 94 CO -0.00 0.53 1.00 -0.62 -1.91 0.00 0.00 174.94 173.94 2ww4 s ASP 95 N 0.64 6.23 -0.41 4.50 2.15 0.71 -4.92 116.67 125.57 2ww4 s ASP 95 Ca -0.12 -0.67 -0.16 0.00 0.43 0.00 0.00 52.55 52.02 2ww4 s ASP 95 Cb -0.16 -2.45 0.02 0.00 -0.30 0.00 0.00 42.92 40.03 2ww4 s ASP 95 CO 0.03 -1.42 0.36 -0.75 -0.17 0.00 0.00 175.17 173.22 2ww4 s LYS 96 N 4.26 3.09 -0.04 4.34 2.47 -1.26 -1.72 119.74 130.88 2ww4 s LYS 96 Ca 0.27 -0.84 0.08 0.00 -1.56 0.00 0.00 55.97 53.92 2ww4 s LYS 96 Cb -0.14 -3.95 -0.13 0.00 -1.46 0.00 0.00 37.83 32.15 2ww4 s LYS 96 CO 0.14 -0.77 0.14 0.54 0.16 0.00 0.00 175.35 175.56 2ww4 n ARG 97 N 5.37 1.12 -2.67 4.03 1.74 -1.26 -5.03 116.66 119.96 2ww4 n ARG 97 Ca -0.09 -0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 2ww4 n ARG 97 Cb 0.47 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.65 2ww4 n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2ww4 s LEU 98 N -3.98 4.62 1.04 0.55 1.43 -1.26 -5.01 118.68 116.07 2ww4 s LEU 98 Ca -0.04 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 2ww4 s LEU 98 Cb 0.05 -3.61 0.21 0.00 0.03 0.00 0.00 46.19 42.87 2ww4 s LEU 98 CO 0.36 0.07 1.08 -2.16 0.23 0.00 0.00 176.35 175.93 2ww4 s PRO 99 N -1.19 0.06 -0.29 1.29 0.04 -1.26 -4.93 135.00 128.73 2ww4 s PRO 99 Ca 0.42 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 62.35 2ww4 s PRO 99 Cb -0.27 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2ww4 s PRO 99 CO 0.34 -3.15 0.84 1.41 0.04 0.00 0.00 177.00 176.48 2ww4 s MET 100 N -4.58 4.05 2.05 4.56 1.75 -1.26 -4.75 119.30 121.11 2ww4 s MET 100 Ca 0.67 0.76 0.00 0.00 -1.25 0.00 0.00 55.69 55.87 2ww4 s MET 100 Cb -0.23 -3.70 0.00 0.00 2.84 0.00 0.00 34.83 33.73 2ww4 s MET 100 CO 0.61 -0.65 0.00 0.41 -0.65 0.00 0.00 175.02 174.74 2ww4 n GLY 101 N 4.01 0.90 4.38 2.11 0.00 -1.26 -4.97 105.19 110.36 2ww4 n GLY 101 Ca 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2ww4 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww4 n GLY 102 N 0.00 1.80 1.07 -0.02 0.00 -1.23 -3.07 105.19 103.73 2ww4 n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ww4 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww4 n GLY 103 N -1.30 0.72 0.02 -0.02 0.00 -1.13 -0.89 105.19 102.59 2ww4 n GLY 103 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.00 2ww4 n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ww4 n LEU 104 N 0.00 0.52 -0.82 0.99 4.77 -1.17 -3.74 117.00 117.54 2ww4 n LEU 104 Ca 0.00 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 2ww4 n LEU 104 Cb 0.00 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2ww4 n LEU 104 CO 0.00 0.06 -0.09 0.61 -1.33 0.00 0.00 177.39 176.64 2ww4 n GLY 105 N 1.45 0.11 0.30 -0.72 0.00 -1.26 -0.96 105.19 104.12 2ww4 n GLY 105 Ca 0.05 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 2ww4 n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ww4 h GLY 106 N 0.00 1.17 0.88 -0.02 0.00 -1.85 -0.24 103.07 103.01 2ww4 h GLY 106 Ca -0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2ww4 h GLY 106 CO 0.21 0.30 -0.04 -1.33 0.00 0.00 0.00 176.54 175.67 2ww4 h GLY 107 N 0.96 -0.12 0.90 4.60 0.00 -1.92 -0.30 103.07 107.19 2ww4 h GLY 107 Ca 0.33 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.73 2ww4 h GLY 107 CO -0.13 -0.04 0.58 1.76 0.00 0.00 0.00 176.54 178.70 2ww4 h SER 108 N -0.23 0.97 -0.05 0.19 0.02 -1.91 -1.66 113.55 110.87 2ww4 h SER 108 Ca -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ww4 h SER 108 Cb 0.20 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2ww4 h SER 108 CO 0.02 0.67 0.03 -1.28 -1.14 0.00 0.00 176.83 175.14 2ww4 h SER 109 N 1.13 0.06 -0.67 3.07 0.87 -0.74 0.37 113.55 117.65 2ww4 h SER 109 Ca 0.35 -0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.99 2ww4 h SER 109 Cb -0.02 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 61.84 2ww4 h SER 109 CO -0.11 0.07 0.25 0.78 -0.53 0.00 0.00 176.83 177.29 2ww4 h ASN 110 N 0.05 0.23 -0.31 6.23 -0.26 -0.81 0.87 115.58 121.58 2ww4 h ASN 110 Ca 0.02 0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.75 2ww4 h ASN 110 Cb 0.02 0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 2ww4 h ASN 110 CO -0.00 0.12 -0.22 0.00 -1.06 0.00 0.00 177.43 176.26 2ww4 h ALA 111 N 1.47 0.44 0.08 -0.83 0.00 -0.91 -1.47 119.26 118.05 2ww4 h ALA 111 Ca 0.35 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ww4 h ALA 111 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2ww4 h ALA 111 CO -0.35 0.41 -0.11 0.00 0.00 0.00 0.00 179.25 179.19 2ww4 h ALA 112 N 0.74 -0.19 -0.90 0.00 0.00 -0.23 -1.16 119.26 117.52 2ww4 h ALA 112 Ca 0.06 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2ww4 h ALA 112 Cb 0.77 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 2ww4 h ALA 112 CO 0.06 -0.63 0.55 1.15 0.00 0.00 0.00 179.25 180.39 2ww4 h THR 113 N -0.23 1.01 -0.32 0.00 2.02 -0.82 -1.38 112.91 113.19 2ww4 h THR 113 Ca 0.01 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 2ww4 h THR 113 Cb 0.24 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2ww4 h THR 113 CO -0.05 0.18 0.04 0.58 0.37 0.00 0.00 175.52 176.64 2ww4 h VAL 114 N 0.98 1.24 -0.56 3.16 2.07 -0.86 0.57 116.25 122.85 2ww4 h VAL 114 Ca 0.41 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2ww4 h VAL 114 Cb 0.25 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2ww4 h VAL 114 CO -0.20 0.28 0.35 -0.07 0.02 0.00 0.00 177.57 177.95 2ww4 h LEU 115 N 0.36 0.66 -0.11 2.57 3.38 -0.87 0.47 115.31 121.77 2ww4 h LEU 115 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2ww4 h LEU 115 Cb 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2ww4 h LEU 115 CO 0.01 0.51 -0.12 0.58 0.09 0.00 0.00 178.44 179.51 2ww4 h VAL 116 N 0.76 1.36 -0.12 1.22 2.07 -1.21 -1.49 116.25 118.84 2ww4 h VAL 116 Ca 0.20 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 2ww4 h VAL 116 Cb -0.04 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2ww4 h VAL 116 CO -0.04 0.37 0.07 0.00 0.02 0.00 0.00 177.57 177.98 2ww4 h ALA 117 N 0.58 0.16 -0.07 1.67 0.00 -0.83 -2.63 119.26 118.14 2ww4 h ALA 117 Ca 0.02 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 2ww4 h ALA 117 Cb 0.65 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ww4 h ALA 117 CO 0.03 -0.30 -0.78 -0.07 0.00 0.00 0.00 179.25 178.13 2ww4 h LEU 118 N 0.10 0.52 -0.79 0.00 3.38 -0.94 -0.46 115.31 117.13 2ww4 h LEU 118 Ca 0.04 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.77 2ww4 h LEU 118 Cb 0.08 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 2ww4 h LEU 118 CO -0.01 1.12 0.40 -1.13 0.09 0.00 0.00 178.44 178.90 2ww4 h ASN 119 N 0.28 0.49 -0.03 -0.43 -1.24 -1.28 0.95 115.58 114.33 2ww4 h ASN 119 Ca -0.04 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 2ww4 h ASN 119 Cb 1.37 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.42 2ww4 h ASN 119 CO 0.14 0.25 -0.06 -0.74 -1.29 0.00 0.00 177.43 175.72 2ww4 h HIS 120 N 0.62 0.11 -0.15 0.67 2.76 -1.14 -1.62 115.15 116.41 2ww4 h HIS 120 Ca 0.41 -0.04 -0.18 0.00 -2.20 0.00 0.00 60.37 58.36 2ww4 h HIS 120 Cb 0.51 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2ww4 h HIS 120 CO -0.10 0.66 -0.64 -0.07 -1.30 0.00 0.00 177.93 176.48 2ww4 h LEU 121 N -0.47 0.62 -0.02 0.26 3.38 -0.91 -2.84 115.31 115.34 2ww4 h LEU 121 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2ww4 h LEU 121 Cb 0.66 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ww4 h LEU 121 CO 0.01 1.10 -0.06 0.79 0.09 0.00 0.00 178.44 180.38 2ww4 n TRP 122 N -3.92 0.00 -3.81 1.13 8.01 0.31 -4.95 117.44 114.22 2ww4 n TRP 122 Ca -0.04 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.91 2ww4 n TRP 122 Cb 0.66 -0.39 0.01 0.00 -2.01 0.00 0.00 31.31 29.58 2ww4 n TRP 122 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 2ww4 n GLN 123 N -1.39 -3.94 0.20 -0.99 6.02 -0.92 -4.61 117.38 111.75 2ww4 n GLN 123 Ca 0.10 0.51 0.07 0.00 -0.01 0.00 0.00 57.00 57.66 2ww4 n GLN 123 Cb 0.31 -4.82 0.36 0.00 1.02 0.00 0.00 30.24 27.10 2ww4 n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ww4 n GLY 125 N 0.22 0.81 3.77 0.00 0.00 -1.26 -4.88 105.19 103.85 2ww4 n GLY 125 Ca -0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 2ww4 n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ww4 s LEU 126 N -1.28 4.12 0.93 0.99 1.02 -1.26 -5.02 118.68 118.18 2ww4 s LEU 126 Ca 0.00 2.56 -0.12 0.00 0.02 0.00 0.00 54.13 56.59 2ww4 s LEU 126 Cb 0.00 -4.04 0.15 0.00 0.02 0.00 0.00 46.19 42.32 2ww4 s LEU 126 CO 0.00 -0.94 1.09 -0.94 0.02 0.00 0.00 176.35 175.58 2ww4 s SER 127 N -0.95 3.09 0.29 2.29 1.04 -1.26 -4.86 113.70 113.34 2ww4 s SER 127 Ca 0.60 1.53 0.00 0.00 0.48 0.00 0.00 55.95 58.57 2ww4 s SER 127 Cb -0.35 -2.20 0.43 0.00 0.10 0.00 0.00 66.02 64.00 2ww4 s SER 127 CO 0.44 -2.88 1.80 -0.03 0.98 0.00 0.00 173.24 173.55 2ww4 h MET 128 N -1.72 0.69 -0.44 4.02 4.05 -1.97 -1.07 114.93 118.48 2ww4 h MET 128 Ca -0.51 -0.17 0.03 0.00 -0.28 0.00 0.00 59.70 58.77 2ww4 h MET 128 Cb 1.29 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.97 2ww4 h MET 128 CO 0.53 0.71 0.24 -0.44 0.23 0.00 0.00 176.91 178.18 2ww4 h ASP 129 N 0.65 0.38 -0.58 1.39 3.32 -1.98 0.10 116.42 119.69 2ww4 h ASP 129 Ca 0.13 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 2ww4 h ASP 129 Cb 0.41 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2ww4 h ASP 129 CO 0.02 0.27 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.43 2ww4 h GLU 130 N 0.49 1.06 -0.54 3.56 5.08 -1.85 -0.67 114.58 121.71 2ww4 h GLU 130 Ca 0.18 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 2ww4 h GLU 130 Cb 0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2ww4 h GLU 130 CO -0.10 1.05 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.78 2ww4 h LEU 131 N 0.95 1.01 -0.68 1.33 3.38 -1.00 -2.27 115.31 118.02 2ww4 h LEU 131 Ca 0.16 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2ww4 h LEU 131 Cb 0.61 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2ww4 h LEU 131 CO 0.04 1.11 -0.11 0.00 0.09 0.00 0.00 178.44 179.57 2ww4 h ALA 132 N 0.97 0.88 0.47 1.53 0.00 -0.66 0.17 119.26 122.62 2ww4 h ALA 132 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2ww4 h ALA 132 Cb 0.67 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ww4 h ALA 132 CO 0.05 0.64 -0.26 0.93 0.00 0.00 0.00 179.25 180.61 2ww4 h GLU 133 N 0.81 -0.65 -0.71 0.00 5.08 -1.05 -2.37 114.58 115.68 2ww4 h GLU 133 Ca 0.13 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2ww4 h GLU 133 Cb 0.64 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2ww4 h GLU 133 CO 0.04 -0.43 0.46 1.98 -1.00 0.00 0.00 179.01 180.06 2ww4 h MET 134 N -0.68 0.89 -0.15 2.33 4.05 -1.38 -2.81 114.93 117.19 2ww4 h MET 134 Ca -0.06 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.27 2ww4 h MET 134 Cb 0.54 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 2ww4 h MET 134 CO 0.08 0.59 -0.08 0.78 0.23 0.00 0.00 176.91 178.51 2ww4 h GLY 135 N 0.92 0.25 2.00 1.39 0.00 -0.89 -2.19 103.07 104.55 2ww4 h GLY 135 Ca 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2ww4 h GLY 135 CO -0.08 0.13 -0.17 -2.00 0.00 0.00 0.00 176.54 174.42 2ww4 h LEU 136 N 0.22 0.00 -0.54 3.11 5.85 -1.15 -0.90 115.31 121.91 2ww4 h LEU 136 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2ww4 h LEU 136 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2ww4 h LEU 136 CO 0.01 0.17 0.00 0.35 -0.34 0.00 0.00 178.44 178.63 2ww4 n THR 137 N -3.75 0.76 -0.11 1.05 -2.24 -0.82 -3.73 114.28 105.44 2ww4 n THR 137 Ca -0.02 0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 2ww4 n THR 137 Cb 0.28 -1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 67.35 2ww4 n THR 137 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ww4 n LEU 138 N -2.27 1.83 -3.63 3.22 4.77 -0.39 -5.02 117.00 115.50 2ww4 n LEU 138 Ca 0.03 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.79 2ww4 n LEU 138 Cb 0.28 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2ww4 n LEU 138 CO 0.23 0.77 0.33 -0.83 -1.33 0.00 0.00 177.39 176.55 2ww4 s GLY 139 N -6.09 -0.48 0.42 -0.72 0.00 -0.90 -4.99 107.32 94.56 2ww4 s GLY 139 Ca -0.25 1.58 0.17 0.00 0.00 0.00 0.00 44.72 46.22 2ww4 s GLY 139 CO 0.69 1.31 1.87 0.00 0.00 0.00 0.00 173.10 176.97 2ww4 h ALA 140 N 4.57 2.19 -0.42 3.20 0.00 -1.87 -2.60 119.26 124.33 2ww4 h ALA 140 Ca -0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ww4 h ALA 140 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2ww4 h ALA 140 CO 0.19 -0.46 0.00 -0.25 0.00 0.00 0.00 179.25 178.73 2ww4 n ASP 141 N -4.50 3.35 -0.14 0.00 8.00 -1.26 -4.62 116.55 117.37 2ww4 n ASP 141 Ca 0.18 -1.95 -0.01 0.00 0.71 0.00 0.00 54.79 53.72 2ww4 n ASP 141 Cb 0.67 -0.27 0.23 0.00 -0.02 0.00 0.00 41.12 41.72 2ww4 n ASP 141 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2ww4 h VAL 142 N 3.83 1.21 -0.85 2.53 2.07 -1.71 -3.07 116.25 120.25 2ww4 h VAL 142 Ca 0.00 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2ww4 h VAL 142 Cb 0.90 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2ww4 h VAL 142 CO 0.00 0.25 0.51 -0.65 0.02 0.00 0.00 177.57 177.70 2ww4 h PRO 143 N 0.83 1.16 -0.60 1.57 0.11 -1.82 0.39 132.00 133.63 2ww4 h PRO 143 Ca 0.20 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 2ww4 h PRO 143 Cb 0.15 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 30.99 2ww4 h PRO 143 CO -0.02 0.81 0.22 -0.24 -0.21 0.00 0.00 178.00 178.56 2ww4 h VAL 144 N 1.18 1.24 -0.45 3.15 3.04 -1.87 -0.98 116.25 121.55 2ww4 h VAL 144 Ca 0.31 -0.77 -0.07 0.00 -1.01 0.00 0.00 66.70 65.15 2ww4 h VAL 144 Cb -0.04 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 29.83 2ww4 h VAL 144 CO -0.06 0.30 0.01 -0.26 -1.01 0.00 0.00 177.57 176.55 2ww4 h PHE 145 N 0.84 0.87 -0.59 3.17 0.04 -1.48 -1.10 116.94 118.68 2ww4 h PHE 145 Ca 0.20 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2ww4 h PHE 145 Cb 0.24 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 2ww4 h PHE 145 CO 0.01 0.84 0.34 0.28 -0.60 0.00 0.00 178.31 179.18 2ww4 h VAL 146 N 0.64 1.19 0.01 -0.55 2.07 -0.77 -3.13 116.25 115.71 2ww4 h VAL 146 Ca 0.13 -0.45 -0.19 0.00 0.82 0.00 0.00 66.70 67.00 2ww4 h VAL 146 Cb 0.49 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2ww4 h VAL 146 CO 0.02 0.20 -0.90 0.03 0.02 0.00 0.00 177.57 176.94 2ww4 h ARG 147 N 0.80 0.08 0.00 1.57 3.08 -1.06 -3.48 114.38 115.36 2ww4 h ARG 147 Ca 0.21 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2ww4 h ARG 147 Cb 0.02 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2ww4 h ARG 147 CO -0.04 0.92 0.00 0.41 -1.07 0.00 0.00 179.97 180.20 2ww4 n GLY 148 N 0.99 0.78 3.18 0.04 0.00 -0.43 -5.04 105.19 104.72 2ww4 n GLY 148 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 2ww4 n GLY 148 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ww4 s HIS 149 N -2.21 1.38 0.29 1.61 5.04 -1.26 -1.16 115.29 118.98 2ww4 s HIS 149 Ca 0.00 -0.39 -0.28 0.00 -1.54 0.00 0.00 55.06 52.84 2ww4 s HIS 149 Cb 0.00 -0.80 -0.14 0.00 0.04 0.00 0.00 32.58 31.69 2ww4 s HIS 149 CO 0.00 0.07 1.08 0.00 -2.34 0.00 0.00 174.74 173.55 2ww4 n ALA 150 N 1.61 0.10 -3.58 1.58 0.00 0.15 -4.91 120.51 115.45 2ww4 n ALA 150 Ca -0.19 0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 2ww4 n ALA 150 Cb 0.54 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 2ww4 n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ww4 s ALA 151 N -1.01 -1.76 -0.25 0.00 0.00 -0.95 -1.89 121.76 115.90 2ww4 s ALA 151 Ca 0.59 1.69 -0.18 0.00 0.00 0.00 0.00 51.96 54.06 2ww4 s ALA 151 Cb -0.68 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2ww4 s ALA 151 CO 0.60 -0.35 0.51 0.12 0.00 0.00 0.00 175.76 176.63 2ww4 s PHE 152 N -0.35 3.28 -0.13 0.00 5.36 0.40 -1.34 117.98 125.20 2ww4 s PHE 152 Ca -0.05 0.64 -0.03 0.00 -0.96 0.00 0.00 56.93 56.53 2ww4 s PHE 152 Cb -0.03 -2.70 -0.03 0.00 -0.34 0.00 0.00 43.02 39.92 2ww4 s PHE 152 CO 0.05 -0.25 -0.02 0.00 -1.46 0.00 0.00 175.22 173.54 2ww4 s ALA 153 N 2.20 3.11 0.00 11.12 0.00 0.65 -1.40 121.76 137.44 2ww4 s ALA 153 Ca 0.21 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2ww4 s ALA 153 Cb -0.16 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2ww4 s ALA 153 CO 0.09 0.34 0.00 -0.85 0.00 0.00 0.00 175.76 175.35 2ww4 n GLU 154 N 3.04 0.00 0.00 0.00 0.28 -0.36 -1.78 120.64 121.82 2ww4 n GLU 154 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 2ww4 n GLU 154 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 2ww4 n GLU 154 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ww4 n GLY 155 N 0.00 3.10 1.75 -1.84 0.00 -1.26 -1.17 105.19 105.77 2ww4 n GLY 155 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 2ww4 n GLY 155 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ww4 n VAL 156 N 0.00 2.92 -0.35 1.61 0.24 -1.26 -4.41 118.33 117.08 2ww4 n VAL 156 Ca 0.00 -2.62 0.00 0.00 -2.04 0.00 0.00 64.34 59.68 2ww4 n VAL 156 Cb 0.00 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 2ww4 n VAL 156 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ww4 n GLY 157 N -1.08 0.70 0.03 7.63 0.00 -0.32 -4.95 105.19 107.21 2ww4 n GLY 157 Ca 0.47 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.60 2ww4 n GLY 157 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ww4 n GLU 158 N -2.07 0.61 -2.98 1.61 0.00 -1.20 -4.82 120.64 111.79 2ww4 n GLU 158 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 57.16 56.62 2ww4 n GLU 158 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 31.44 29.80 2ww4 n GLU 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2ww4 s ILE 159 N -3.45 4.62 -0.13 3.84 -1.09 -1.16 -5.01 121.20 118.82 2ww4 s ILE 159 Ca -0.05 0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 2ww4 s ILE 159 Cb 0.13 -4.40 0.01 0.00 -1.58 0.00 0.00 42.46 36.63 2ww4 s ILE 159 CO 0.88 -0.90 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.74 2ww4 s LEU 160 N 3.33 1.91 -0.20 2.97 1.02 -1.26 -1.23 118.68 125.22 2ww4 s LEU 160 Ca 0.25 -0.53 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 2ww4 s LEU 160 Cb -0.15 -1.28 0.00 0.00 0.02 0.00 0.00 46.19 44.79 2ww4 s LEU 160 CO 0.18 0.03 -0.11 -0.89 0.02 0.00 0.00 176.35 175.58 2ww4 s THR 161 N 1.00 2.83 0.55 5.49 2.01 -0.49 -4.94 115.64 122.08 2ww4 s THR 161 Ca -0.05 -0.68 -0.22 0.00 0.31 0.00 0.00 61.69 61.05 2ww4 s THR 161 Cb -0.15 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 2ww4 s THR 161 CO -0.04 0.48 1.37 -2.84 -0.69 0.00 0.00 174.62 172.90 2ww4 s PRO 162 N 1.30 3.13 0.17 4.92 0.02 -1.26 -0.46 135.00 142.82 2ww4 s PRO 162 Ca 0.04 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.29 2ww4 s PRO 162 Cb -0.14 -2.26 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 2ww4 s PRO 162 CO -0.06 -1.21 0.17 0.54 -0.33 0.00 0.00 177.00 176.11 2ww4 s VAL 163 N -1.29 0.06 -0.57 3.83 0.11 -0.79 -4.79 120.40 116.96 2ww4 s VAL 163 Ca 0.72 -1.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.07 2ww4 s VAL 163 Cb -0.41 -2.14 0.24 0.00 -1.53 0.00 0.00 36.38 32.54 2ww4 s VAL 163 CO 0.49 -0.25 0.65 0.47 -3.33 0.00 0.00 175.10 173.12 2ww4 n ASP 164 N -0.20 2.55 -4.73 3.54 8.00 -1.26 -4.37 116.55 120.08 2ww4 n ASP 164 Ca -0.03 -3.18 -0.30 0.00 0.71 0.00 0.00 54.79 51.99 2ww4 n ASP 164 Cb 0.64 -0.67 0.13 0.00 -0.02 0.00 0.00 41.12 41.20 2ww4 n ASP 164 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2ww4 s PRO 165 N -1.93 1.41 0.13 -0.24 0.04 -1.26 -4.90 135.00 128.24 2ww4 s PRO 165 Ca 0.37 0.78 -0.35 0.00 0.04 0.00 0.00 61.00 61.84 2ww4 s PRO 165 Cb 0.13 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.69 2ww4 s PRO 165 CO -0.06 -2.13 1.50 -2.30 0.04 0.00 0.00 177.00 174.06 2ww4 n PRO 166 N -3.80 1.80 -2.55 0.56 -0.02 -1.26 -4.87 135.00 124.86 2ww4 n PRO 166 Ca 0.07 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 2ww4 n PRO 166 Cb 0.55 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2ww4 n PRO 166 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ww4 n GLU 167 N 3.20 3.44 -1.68 -0.52 1.02 -1.26 -4.92 120.64 119.92 2ww4 n GLU 167 Ca 0.18 -3.57 -0.29 0.00 -0.02 0.00 0.00 57.16 53.45 2ww4 n GLU 167 Cb 0.25 -3.03 0.11 0.00 -0.02 0.00 0.00 31.44 28.75 2ww4 n GLU 167 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2ww4 s LYS 168 N 1.28 1.71 -0.02 3.49 -0.14 -1.26 -4.61 119.74 120.19 2ww4 s LYS 168 Ca 0.42 0.32 -0.12 0.00 -1.36 0.00 0.00 55.97 55.23 2ww4 s LYS 168 Cb 0.05 -1.90 -0.05 0.00 -1.68 0.00 0.00 37.83 34.24 2ww4 s LYS 168 CO 0.00 -1.81 0.33 -1.58 -0.76 0.00 0.00 175.35 171.53 2ww4 s TRP 169 N -3.35 3.67 -0.02 3.18 0.52 -0.18 0.02 118.94 122.77 2ww4 s TRP 169 Ca 0.62 0.82 0.06 0.00 0.02 0.00 0.00 56.10 57.62 2ww4 s TRP 169 Cb -0.13 -2.16 -0.01 0.00 -1.15 0.00 0.00 33.47 30.01 2ww4 s TRP 169 CO 0.52 0.66 -0.20 0.71 0.02 0.00 0.00 176.95 178.66 2ww4 s TYR 170 N -1.11 1.79 -0.41 -1.98 2.02 0.94 -0.72 117.35 117.87 2ww4 s TYR 170 Ca 0.23 -0.37 -0.17 0.00 -0.37 0.00 0.00 57.07 56.38 2ww4 s TYR 170 Cb -0.15 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 2ww4 s TYR 170 CO 0.12 -0.06 0.42 -1.17 -1.57 0.00 0.00 175.55 173.29 2ww4 s LEU 171 N -0.38 4.86 -0.35 -1.29 0.20 -0.57 -0.99 118.68 120.15 2ww4 s LEU 171 Ca 0.05 -0.66 -0.14 0.00 0.69 0.00 0.00 54.13 54.07 2ww4 s LEU 171 Cb -0.08 -2.37 -0.01 0.00 -0.43 0.00 0.00 46.19 43.30 2ww4 s LEU 171 CO -0.00 -0.56 0.29 -0.69 -0.29 0.00 0.00 176.35 175.10 2ww4 s VAL 172 N 2.09 5.24 -0.02 1.68 1.01 0.22 -1.47 120.40 129.16 2ww4 s VAL 172 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 2ww4 s VAL 172 Cb -0.17 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2ww4 s VAL 172 CO 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 175.10 175.20 2ww4 s ALA 173 N 1.81 3.50 -0.48 5.51 0.00 0.09 -1.61 121.76 130.58 2ww4 s ALA 173 Ca 0.08 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2ww4 s ALA 173 Cb -0.17 -1.54 0.13 0.00 0.00 0.00 0.00 23.12 21.53 2ww4 s ALA 173 CO 0.11 0.67 0.22 -1.58 0.00 0.00 0.00 175.76 175.18 2ww4 s HIS 174 N -1.13 3.34 0.46 0.00 2.46 -0.41 -1.65 115.29 118.36 2ww4 s HIS 174 Ca 0.21 -3.10 -0.24 0.00 0.47 0.00 0.00 55.06 52.41 2ww4 s HIS 174 Cb -0.12 -2.88 -0.09 0.00 -0.13 0.00 0.00 32.58 29.37 2ww4 s HIS 174 CO 0.11 -0.80 1.15 -2.30 -2.47 0.00 0.00 174.74 170.44 2ww4 n PRO 175 N 3.41 1.56 -1.32 2.88 -0.02 -1.26 -4.46 135.00 135.79 2ww4 n PRO 175 Ca 0.05 0.56 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 2ww4 n PRO 175 Cb 0.35 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 2ww4 n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww4 n GLY 176 N 1.00 3.77 3.53 -1.23 0.00 -1.26 -4.79 105.19 106.21 2ww4 n GLY 176 Ca 0.09 -1.37 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 2ww4 n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww4 s VAL 177 N 3.31 0.00 -0.17 1.61 0.11 -1.26 -5.01 120.40 118.99 2ww4 s VAL 177 Ca 0.54 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.41 2ww4 s VAL 177 Cb 0.15 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 2ww4 s VAL 177 CO -0.03 -0.02 0.33 -0.55 -3.33 0.00 0.00 175.10 171.50 2ww4 s SER 178 N -0.61 6.44 -0.39 3.54 0.15 -1.26 -4.66 113.70 116.90 2ww4 s SER 178 Ca -0.07 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.12 2ww4 s SER 178 Cb -0.02 -2.20 0.11 0.00 -1.71 0.00 0.00 66.02 62.20 2ww4 s SER 178 CO 0.06 0.04 0.14 -0.63 1.20 0.00 0.00 173.24 174.05 2ww4 s ILE 179 N 0.76 1.90 0.31 6.45 1.01 -1.26 -5.05 121.20 125.33 2ww4 s ILE 179 Ca 0.18 -2.41 -0.29 0.00 0.00 0.00 0.00 60.65 58.12 2ww4 s ILE 179 Cb -0.14 -2.38 -0.10 0.00 0.01 0.00 0.00 42.46 39.85 2ww4 s ILE 179 CO 0.06 -0.71 1.36 -2.84 0.00 0.00 0.00 174.94 172.80 2ww4 s PRO 180 N 0.68 4.31 0.25 2.79 0.02 -1.26 -4.76 135.00 137.03 2ww4 s PRO 180 Ca 0.13 2.27 -0.04 0.00 0.02 0.00 0.00 61.00 63.38 2ww4 s PRO 180 Cb -0.21 -3.07 0.47 0.00 0.02 0.00 0.00 34.50 31.71 2ww4 s PRO 180 CO -0.08 -0.28 1.71 1.15 -0.33 0.00 0.00 177.00 179.17 2ww4 h THR 181 N 3.17 0.61 -0.61 0.99 2.02 -1.94 0.08 112.91 117.23 2ww4 h THR 181 Ca -0.48 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 66.70 2ww4 h THR 181 Cb 1.23 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2ww4 h THR 181 CO 0.69 0.07 0.42 -0.65 0.37 0.00 0.00 175.52 176.41 2ww4 h PRO 182 N 0.39 0.24 -0.86 6.66 0.11 -1.98 -1.90 132.00 134.66 2ww4 h PRO 182 Ca 0.42 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.57 2ww4 h PRO 182 Cb 0.67 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.67 2ww4 h PRO 182 CO -0.44 0.16 0.54 0.28 -0.21 0.00 0.00 178.00 178.32 2ww4 h VAL 183 N 0.24 1.07 -0.06 3.15 2.07 -1.33 -0.39 116.25 121.00 2ww4 h VAL 183 Ca 0.29 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 2ww4 h VAL 183 Cb 0.80 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2ww4 h VAL 183 CO -0.06 0.18 -0.60 0.40 0.02 0.00 0.00 177.57 177.51 2ww4 h ILE 184 N 1.00 1.38 0.00 4.57 1.08 -1.44 -3.30 117.51 120.80 2ww4 h ILE 184 Ca 0.36 -1.97 0.00 0.00 -0.39 0.00 0.00 64.86 62.87 2ww4 h ILE 184 Cb 0.12 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 2ww4 h ILE 184 CO -0.16 0.59 0.00 -0.26 -0.69 0.00 0.00 178.15 177.63 2ww4 h PHE 185 N 0.08 0.00 -0.00 1.37 0.04 -1.11 -2.20 116.94 115.12 2ww4 h PHE 185 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2ww4 h PHE 185 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 2ww4 h PHE 185 CO 0.12 0.00 -0.42 1.63 -0.60 0.00 0.00 178.31 179.04 2ww4 n LYS 186 N -2.72 0.21 -2.16 1.51 5.02 -0.18 -4.95 118.16 114.88 2ww4 n LYS 186 Ca 0.01 -0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 2ww4 n LYS 186 Cb 0.27 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 2ww4 n LYS 186 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ww4 s ASP 187 N -2.87 6.82 0.51 4.39 -1.08 -0.83 -4.90 116.67 118.70 2ww4 s ASP 187 Ca 0.15 2.39 0.29 0.00 -0.52 0.00 0.00 52.55 54.85 2ww4 s ASP 187 Cb 0.18 -2.60 1.34 0.00 -1.46 0.00 0.00 42.92 40.38 2ww4 s ASP 187 CO 0.65 -0.63 2.00 1.55 0.52 0.00 0.00 175.17 179.26 2ww4 h PRO 188 N 6.26 0.00 -0.01 4.34 0.13 -1.92 -2.68 132.00 138.12 2ww4 h PRO 188 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ww4 h PRO 188 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ww4 h PRO 188 CO 0.83 0.13 -0.22 0.39 -0.23 0.00 0.00 178.00 178.91 2ww4 n GLU 189 N -3.43 0.76 -1.66 0.86 1.02 -1.26 -4.91 120.64 112.02 2ww4 n GLU 189 Ca -0.01 -0.40 -0.47 0.00 -0.02 0.00 0.00 57.16 56.26 2ww4 n GLU 189 Cb 0.30 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 2ww4 n GLU 189 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2ww4 n LEU 190 N -0.77 2.99 -4.73 -4.62 7.94 -1.01 -4.92 117.00 111.88 2ww4 n LEU 190 Ca 0.13 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.68 2ww4 n LEU 190 Cb 0.33 -1.40 -0.02 0.00 0.53 0.00 0.00 43.42 42.86 2ww4 n LEU 190 CO 0.25 -0.33 1.27 -2.65 -1.11 0.00 0.00 177.39 174.82 2ww4 n PRO 191 N 3.71 2.68 -1.25 1.96 -0.02 -1.26 -4.89 135.00 135.92 2ww4 n PRO 191 Ca 0.18 0.96 0.02 0.00 -2.02 0.00 0.00 63.50 62.64 2ww4 n PRO 191 Cb 0.28 -2.75 0.01 0.00 -0.02 0.00 0.00 33.50 31.01 2ww4 n PRO 191 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ww4 n ARG 192 N 2.68 0.00 -1.15 -0.52 1.74 -1.26 -4.69 116.66 113.46 2ww4 n ARG 192 Ca 0.11 -1.70 -0.00 0.00 -0.77 0.00 0.00 57.85 55.49 2ww4 n ARG 192 Cb 0.36 -0.06 -0.01 0.00 -1.02 0.00 0.00 32.46 31.72 2ww4 n ARG 192 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2ww4 n ASN 193 N 0.36 0.16 -4.73 0.55 6.94 -1.14 -3.50 115.26 113.91 2ww4 n ASN 193 Ca 0.02 -1.93 -0.42 0.00 -0.02 0.00 0.00 54.58 52.24 2ww4 n ASN 193 Cb 1.02 -0.07 -0.03 0.00 -2.36 0.00 0.00 39.78 38.34 2ww4 n ASN 193 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2ww4 s THR 194 N 0.00 3.15 0.23 5.53 2.01 -0.70 -4.94 115.64 120.92 2ww4 s THR 194 Ca 0.17 0.87 -0.31 0.00 0.31 0.00 0.00 61.69 62.73 2ww4 s THR 194 Cb 0.19 -3.56 -0.11 0.00 0.01 0.00 0.00 72.50 69.03 2ww4 s THR 194 CO -0.08 0.09 1.64 -2.84 -0.69 0.00 0.00 174.62 172.75 2ww4 s PRO 195 N 0.59 4.14 0.18 4.92 0.02 -1.26 -4.26 135.00 139.33 2ww4 s PRO 195 Ca 0.62 2.55 -0.32 0.00 0.02 0.00 0.00 61.00 63.87 2ww4 s PRO 195 Cb -0.38 -3.07 -0.11 0.00 0.02 0.00 0.00 34.50 30.96 2ww4 s PRO 195 CO 0.34 -0.68 1.68 0.21 -0.33 0.00 0.00 177.00 178.22 2ww4 s LYS 196 N 0.57 4.16 0.11 5.54 2.20 -1.26 -4.99 119.74 126.07 2ww4 s LYS 196 Ca 0.70 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.83 2ww4 s LYS 196 Cb -0.48 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 2ww4 s LYS 196 CO 0.37 -0.71 -0.01 1.03 -0.36 0.00 0.00 175.35 175.67 2ww4 s ARG 197 N 1.31 0.85 0.63 4.03 0.52 -1.26 -5.15 118.95 119.88 2ww4 s ARG 197 Ca 0.74 -1.37 -0.14 0.00 -0.52 0.00 0.00 55.73 54.43 2ww4 s ARG 197 Cb -0.47 0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.01 2ww4 s ARG 197 CO 0.32 -0.13 1.06 -1.54 0.02 0.00 0.00 175.30 175.03 2ww4 s SER 198 N -3.04 5.57 0.45 0.23 1.04 -1.26 -4.84 113.70 111.86 2ww4 s SER 198 Ca 0.16 1.77 0.11 0.00 0.48 0.00 0.00 55.95 58.48 2ww4 s SER 198 Cb 0.07 -2.52 1.01 0.00 0.10 0.00 0.00 66.02 64.68 2ww4 s SER 198 CO -0.03 -1.31 2.08 -0.29 0.98 0.00 0.00 173.24 174.66 2ww4 h ILE 199 N 0.02 1.07 -0.66 -1.02 6.09 -2.01 0.13 117.51 121.13 2ww4 h ILE 199 Ca -0.46 -0.20 -0.08 0.00 -1.37 0.00 0.00 64.86 62.75 2ww4 h ILE 199 Cb 1.22 0.80 -0.03 0.00 0.47 0.00 0.00 36.82 39.29 2ww4 h ILE 199 CO 0.57 0.08 0.08 -0.33 -3.07 0.00 0.00 178.15 175.48 2ww4 h GLU 200 N 0.29 1.11 0.18 2.19 3.07 -1.99 -0.21 114.58 119.21 2ww4 h GLU 200 Ca 0.08 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 2ww4 h GLU 200 Cb 0.02 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 2ww4 h GLU 200 CO -0.01 1.03 -0.09 1.15 -1.40 0.00 0.00 179.01 179.69 2ww4 h THR 201 N 1.03 0.93 -0.60 1.13 2.02 -1.64 -3.27 112.91 112.51 2ww4 h THR 201 Ca 0.20 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 2ww4 h THR 201 Cb 0.47 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 2ww4 h THR 201 CO 0.02 0.17 0.27 -0.07 0.37 0.00 0.00 175.52 176.28 2ww4 h LEU 202 N -0.65 0.80 -2.02 2.58 3.38 -0.69 -2.49 115.31 116.23 2ww4 h LEU 202 Ca -0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2ww4 h LEU 202 Cb 0.47 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ww4 h LEU 202 CO 0.04 0.73 -0.04 -0.07 0.09 0.00 0.00 178.44 179.19 2ww4 h LEU 203 N 0.83 0.00 -0.48 1.67 3.38 -1.14 -1.46 115.31 118.11 2ww4 h LEU 203 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2ww4 h LEU 203 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2ww4 h LEU 203 CO -0.02 0.04 -0.47 0.29 0.09 0.00 0.00 178.44 178.37 2ww4 n LYS 204 N -4.32 0.68 -2.33 1.13 5.02 -0.98 -4.95 118.16 112.40 2ww4 n LYS 204 Ca -0.03 -0.48 -0.26 0.00 -2.02 0.00 0.00 58.31 55.52 2ww4 n LYS 204 Cb 0.12 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.69 2ww4 n LYS 204 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ww4 s GLU 206 N -5.07 4.15 0.01 0.00 2.12 -1.26 -4.97 118.70 113.67 2ww4 s GLU 206 Ca 0.56 2.53 -0.24 0.00 0.36 0.00 0.00 54.97 58.17 2ww4 s GLU 206 Cb -0.11 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 2ww4 s GLU 206 CO 0.45 -0.59 0.74 -0.06 -0.54 0.00 0.00 175.26 175.26 2ww4 s PHE 207 N -0.03 3.68 0.17 5.30 0.40 -1.26 -5.06 117.98 121.18 2ww4 s PHE 207 Ca 0.62 1.39 -0.07 0.00 -0.60 0.00 0.00 56.93 58.27 2ww4 s PHE 207 Cb -0.47 -2.81 -0.02 0.00 0.51 0.00 0.00 43.02 40.24 2ww4 s PHE 207 CO 0.47 0.21 0.26 -1.54 0.70 0.00 0.00 175.22 175.33 2ww4 s SER 208 N 0.23 0.07 -0.22 1.36 1.04 -1.26 -5.02 113.70 109.90 2ww4 s SER 208 Ca 0.38 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2ww4 s SER 208 Cb -0.19 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.38 2ww4 s SER 208 CO 0.21 -0.90 -0.12 0.21 0.98 0.00 0.00 173.24 173.62 2ww4 s ASN 209 N -3.01 3.87 0.62 7.02 3.84 -1.26 -1.68 114.94 124.34 2ww4 s ASN 209 Ca 0.21 -0.84 0.37 0.00 0.21 0.00 0.00 52.86 52.81 2ww4 s ASN 209 Cb 0.04 -1.58 2.04 0.00 -0.55 0.00 0.00 41.25 41.21 2ww4 s ASN 209 CO 0.03 -0.08 2.27 0.44 -2.79 0.00 0.00 177.10 176.97 2ww4 h ASP 210 N 7.95 0.00 1.59 -4.21 3.32 -1.06 -0.83 116.42 123.17 2ww4 h ASP 210 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2ww4 h ASP 210 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2ww4 h ASP 210 CO 0.58 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 178.12 2ww4 h GLU 212 N 0.00 0.16 -0.74 0.00 4.81 -1.49 -1.63 114.58 115.69 2ww4 h GLU 212 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2ww4 h GLU 212 Cb 0.79 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.08 2ww4 h GLU 212 CO 0.00 0.20 0.42 -0.24 -0.73 0.00 0.00 179.01 178.66 2ww4 h VAL 213 N 0.08 0.95 0.13 0.32 3.04 -1.76 -0.36 116.25 118.64 2ww4 h VAL 213 Ca 0.04 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 2ww4 h VAL 213 Cb 0.09 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.50 2ww4 h VAL 213 CO -0.01 0.14 -0.06 0.40 -1.01 0.00 0.00 177.57 177.03 2ww4 h ILE 214 N 0.75 0.95 -0.77 3.17 1.08 -1.73 -2.39 117.51 118.57 2ww4 h ILE 214 Ca 0.34 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 2ww4 h ILE 214 Cb 0.25 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 2ww4 h ILE 214 CO -0.21 0.07 0.40 0.00 -0.69 0.00 0.00 178.15 177.72 2ww4 h ALA 215 N 0.55 1.25 -0.65 1.87 0.00 -0.90 -0.89 119.26 120.49 2ww4 h ALA 215 Ca -0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2ww4 h ALA 215 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2ww4 h ALA 215 CO 0.03 0.59 0.15 -0.09 0.00 0.00 0.00 179.25 179.93 2ww4 h ARG 216 N 1.09 1.02 -0.02 0.00 2.43 -1.07 -1.67 114.38 116.16 2ww4 h ARG 216 Ca 0.27 -0.24 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 2ww4 h ARG 216 Cb 0.06 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2ww4 h ARG 216 CO -0.04 0.91 -0.64 -0.22 -1.51 0.00 0.00 179.97 178.47 2ww4 h LYS 217 N 0.97 0.47 0.00 0.20 3.64 -0.88 -3.31 116.57 117.67 2ww4 h LYS 217 Ca 0.20 -0.48 -0.13 0.00 -1.27 0.00 0.00 60.65 58.98 2ww4 h LYS 217 Cb 0.36 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2ww4 h LYS 217 CO 0.00 1.13 -0.60 0.00 -2.27 0.00 0.00 179.45 177.71 2ww4 h ARG 218 N 0.01 0.00 -4.14 1.90 2.47 -1.19 -3.43 114.38 109.99 2ww4 h ARG 218 Ca -0.07 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.03 2ww4 h ARG 218 Cb 1.34 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.26 2ww4 h ARG 218 CO 0.13 0.60 -0.75 -0.06 0.56 0.00 0.00 179.97 180.44 2ww4 s PHE 219 N -3.06 2.52 0.41 3.04 0.08 -0.63 -4.99 117.98 115.36 2ww4 s PHE 219 Ca 0.02 -2.10 0.17 0.00 0.12 0.00 0.00 56.93 55.14 2ww4 s PHE 219 Cb 0.09 -2.02 1.06 0.00 -0.57 0.00 0.00 43.02 41.58 2ww4 s PHE 219 CO 0.75 -0.86 1.86 0.00 -0.10 0.00 0.00 175.22 176.87 2ww4 h ARG 220 N 7.91 0.42 -0.52 0.44 3.08 -1.84 -1.24 114.38 122.62 2ww4 h ARG 220 Ca -0.12 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 2ww4 h ARG 220 Cb 1.04 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 2ww4 h ARG 220 CO 0.46 0.28 0.10 0.93 -1.07 0.00 0.00 179.97 180.67 2ww4 h GLU 221 N 0.43 0.82 -0.24 0.04 3.07 -1.93 0.17 114.58 116.94 2ww4 h GLU 221 Ca 0.46 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 59.03 2ww4 h GLU 221 Cb 1.10 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.89 2ww4 h GLU 221 CO -0.18 0.76 -0.28 0.28 -1.40 0.00 0.00 179.01 178.20 2ww4 h VAL 222 N 0.78 1.32 -0.88 3.13 2.07 -1.54 -2.14 116.25 118.99 2ww4 h VAL 222 Ca 0.17 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.26 2ww4 h VAL 222 Cb 0.33 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2ww4 h VAL 222 CO 0.00 0.46 0.57 -0.78 0.02 0.00 0.00 177.57 177.84 2ww4 h ASP 223 N 0.32 0.96 -0.18 0.57 3.58 -1.06 0.14 116.42 120.76 2ww4 h ASP 223 Ca 0.03 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2ww4 h ASP 223 Cb 0.85 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2ww4 h ASP 223 CO 0.07 0.67 0.07 0.00 -2.88 0.00 0.00 179.24 177.16 2ww4 h ALA 224 N 1.36 0.24 -0.40 -0.78 0.00 -0.61 -0.86 119.26 118.21 2ww4 h ALA 224 Ca 0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2ww4 h ALA 224 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2ww4 h ALA 224 CO -0.11 -0.16 0.09 0.28 0.00 0.00 0.00 179.25 179.35 2ww4 h VAL 225 N 0.13 1.23 -0.38 0.00 2.07 -1.07 -1.73 116.25 116.50 2ww4 h VAL 225 Ca 0.06 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2ww4 h VAL 225 Cb 0.19 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2ww4 h VAL 225 CO -0.00 0.27 0.18 -0.07 0.02 0.00 0.00 177.57 177.97 2ww4 h LEU 226 N 0.50 0.49 -0.88 2.57 3.38 -0.92 -2.07 115.31 118.37 2ww4 h LEU 226 Ca 0.12 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ww4 h LEU 226 Cb 0.32 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2ww4 h LEU 226 CO 0.00 0.47 0.58 0.28 0.09 0.00 0.00 178.44 179.86 2ww4 h SER 227 N 0.47 1.00 -0.25 -0.43 0.02 -1.03 -1.47 113.55 111.85 2ww4 h SER 227 Ca 0.13 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2ww4 h SER 227 Cb 0.11 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2ww4 h SER 227 CO -0.02 0.72 0.09 -0.25 -1.14 0.00 0.00 176.83 176.22 2ww4 h TRP 228 N 1.18 0.39 -0.12 3.45 7.01 -1.07 -3.24 115.95 123.55 2ww4 h TRP 228 Ca 0.33 -0.04 -0.19 0.00 2.11 0.00 0.00 58.89 61.10 2ww4 h TRP 228 Cb -0.11 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 2ww4 h TRP 228 CO -0.01 0.43 -0.72 -0.07 -2.79 0.00 0.00 178.44 175.28 2ww4 h LEU 229 N 0.24 0.64 -1.83 0.65 3.38 -1.18 -3.18 115.31 114.03 2ww4 h LEU 229 Ca 0.08 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2ww4 h LEU 229 Cb 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2ww4 h LEU 229 CO -0.00 1.16 0.00 -0.07 0.09 0.00 0.00 178.44 179.62 2ww4 h LEU 230 N 0.38 0.00 -1.13 1.67 3.38 -1.30 0.22 115.31 118.53 2ww4 h LEU 230 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ww4 h LEU 230 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2ww4 h LEU 230 CO 0.13 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.33 2ww4 h GLU 231 N 0.00 0.00 0.00 1.13 4.39 -1.62 -3.33 114.58 115.15 2ww4 h GLU 231 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2ww4 h GLU 231 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2ww4 h GLU 231 CO 0.00 0.00 -1.22 0.66 -1.16 0.00 0.00 179.01 177.29 2ww4 n TYR 232 N -2.49 0.00 -3.59 4.33 4.01 0.73 -5.12 117.16 115.03 2ww4 n TYR 232 Ca 0.01 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.69 2ww4 n TYR 232 Cb 0.21 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 2ww4 n TYR 232 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ww4 s ALA 233 N -2.10 -1.83 0.10 -0.72 0.00 -0.93 -5.07 121.76 111.21 2ww4 s ALA 233 Ca -0.02 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 2ww4 s ALA 233 Cb 0.01 0.42 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 2ww4 s ALA 233 CO 0.14 -0.81 1.64 -2.14 0.00 0.00 0.00 175.76 174.59 2ww4 s PRO 234 N -3.04 4.20 -0.03 0.00 0.02 -1.26 -4.10 135.00 130.78 2ww4 s PRO 234 Ca 0.08 2.35 0.02 0.00 0.02 0.00 0.00 61.00 63.48 2ww4 s PRO 234 Cb -0.01 -3.48 0.01 0.00 0.02 0.00 0.00 34.50 31.04 2ww4 s PRO 234 CO -0.05 -0.71 -0.07 -1.12 -0.33 0.00 0.00 177.00 174.72 2ww4 s SER 235 N 2.08 1.06 0.08 2.53 0.01 -1.26 -1.69 113.70 116.52 2ww4 s SER 235 Ca 0.73 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2ww4 s SER 235 Cb -0.41 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 2ww4 s SER 235 CO 0.32 0.03 -0.04 -0.13 0.41 0.00 0.00 173.24 173.83 2ww4 s ARG 236 N 0.35 0.74 0.39 12.44 0.52 -0.24 -4.93 118.95 128.21 2ww4 s ARG 236 Ca -0.05 -1.29 -0.27 0.00 -0.52 0.00 0.00 55.73 53.60 2ww4 s ARG 236 Cb -0.09 0.00 -0.09 0.00 0.52 0.00 0.00 34.95 35.28 2ww4 s ARG 236 CO 0.00 -0.07 1.34 -1.17 0.02 0.00 0.00 175.30 175.42 2ww4 s LEU 237 N -2.99 4.27 0.10 2.53 2.96 -1.26 -0.18 118.68 124.09 2ww4 s LEU 237 Ca 0.10 2.74 0.05 0.00 -0.22 0.00 0.00 54.13 56.81 2ww4 s LEU 237 Cb 0.07 -3.82 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 2ww4 s LEU 237 CO -0.07 -0.82 -0.02 0.28 -1.32 0.00 0.00 176.35 174.40 2ww4 s THR 238 N -1.21 3.86 0.00 3.68 -1.32 -0.84 -4.79 115.64 115.02 2ww4 s THR 238 Ca 0.55 -1.06 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 2ww4 s THR 238 Cb -0.40 -2.83 0.00 0.00 -1.51 0.00 0.00 72.50 67.75 2ww4 s THR 238 CO 0.53 0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.66 2ww4 n GLY 239 N 0.58 2.45 1.94 6.08 0.00 -1.25 -1.39 105.19 113.60 2ww4 n GLY 239 Ca -0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 2ww4 n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww4 n THR 240 N 0.00 2.93 0.00 2.61 -2.24 -1.26 -4.83 114.28 111.49 2ww4 n THR 240 Ca 0.00 -1.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 2ww4 n THR 240 Cb 0.00 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2ww4 n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww4 n GLY 241 N -0.34 -0.70 0.09 3.38 0.00 -0.49 -4.92 105.19 102.21 2ww4 n GLY 241 Ca 0.42 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.84 2ww4 n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww4 n ALA 242 N -0.40 2.49 -1.74 4.61 0.00 -1.14 -2.82 120.51 121.52 2ww4 n ALA 242 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 2ww4 n ALA 242 Cb 0.00 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.12 2ww4 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ww4 s VAL 244 N -1.40 0.59 -0.00 0.00 1.01 -0.66 -1.98 120.40 117.96 2ww4 s VAL 244 Ca 0.77 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.29 2ww4 s VAL 244 Cb -0.37 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2ww4 s VAL 244 CO 0.41 0.04 -0.16 0.72 0.00 0.00 0.00 175.10 176.11 2ww4 s PHE 245 N -0.45 1.42 -0.12 5.22 -0.12 0.74 -0.73 117.98 123.93 2ww4 s PHE 245 Ca 0.00 -0.28 -0.02 0.00 -0.05 0.00 0.00 56.93 56.58 2ww4 s PHE 245 Cb -0.04 -0.90 -0.03 0.00 -0.63 0.00 0.00 43.02 41.42 2ww4 s PHE 245 CO 0.00 -0.01 -0.05 0.00 -0.05 0.00 0.00 175.22 175.11 2ww4 s ALA 246 N -0.46 2.97 -0.09 1.99 0.00 -0.54 -1.08 121.76 124.56 2ww4 s ALA 246 Ca 0.06 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 2ww4 s ALA 246 Cb -0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2ww4 s ALA 246 CO -0.00 0.35 0.21 -1.21 0.00 0.00 0.00 175.76 175.11 2ww4 s GLU 247 N -0.06 3.60 0.03 0.00 2.02 -0.68 -1.52 118.70 122.10 2ww4 s GLU 247 Ca 0.01 0.02 -0.07 0.00 0.02 0.00 0.00 54.97 54.95 2ww4 s GLU 247 Cb -0.13 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.88 2ww4 s GLU 247 CO 0.03 0.73 0.13 -0.06 0.02 0.00 0.00 175.26 176.11 2ww4 s PHE 248 N -0.98 0.13 -0.10 1.61 0.08 0.10 -4.52 117.98 114.31 2ww4 s PHE 248 Ca 0.17 -0.36 0.16 0.00 0.12 0.00 0.00 56.93 57.02 2ww4 s PHE 248 Cb -0.13 -0.09 0.17 0.00 -0.57 0.00 0.00 43.02 42.39 2ww4 s PHE 248 CO 0.06 -0.36 1.49 -0.44 -0.10 0.00 0.00 175.22 175.87 2ww4 h ASP 249 N 3.77 0.00 -4.87 1.36 3.32 -1.97 -0.45 116.42 117.57 2ww4 h ASP 249 Ca -0.32 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.53 2ww4 h ASP 249 Cb 1.19 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.56 2ww4 h ASP 249 CO 0.47 0.49 -0.70 0.42 -1.72 0.00 0.00 179.24 178.20 2ww4 s THR 250 N -3.06 0.43 0.16 0.35 -4.23 -1.26 -4.58 115.64 103.45 2ww4 s THR 250 Ca 0.03 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 58.93 2ww4 s THR 250 Cb 0.08 -1.06 0.04 0.00 1.34 0.00 0.00 72.50 72.89 2ww4 s THR 250 CO 0.74 -0.69 1.80 -0.08 -0.54 0.00 0.00 174.62 175.85 2ww4 h GLU 251 N 3.77 0.51 -0.83 3.99 4.81 -1.95 -2.72 114.58 122.16 2ww4 h GLU 251 Ca -0.34 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.93 2ww4 h GLU 251 Cb 1.18 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 2ww4 h GLU 251 CO 0.54 0.34 0.49 1.03 -0.73 0.00 0.00 179.01 180.67 2ww4 h SER 252 N 0.53 0.73 -0.12 1.04 0.87 -1.98 -0.35 113.55 114.27 2ww4 h SER 252 Ca 0.17 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2ww4 h SER 252 Cb 0.00 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2ww4 h SER 252 CO -0.08 0.44 -0.14 -0.08 -0.53 0.00 0.00 176.83 176.44 2ww4 h GLU 253 N 0.85 0.30 -0.79 2.24 4.81 -1.96 -0.59 114.58 119.44 2ww4 h GLU 253 Ca 0.38 -0.17 0.14 0.00 -0.13 0.00 0.00 59.36 59.58 2ww4 h GLU 253 Cb 0.28 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.58 2ww4 h GLU 253 CO -0.21 0.73 0.37 0.00 -0.73 0.00 0.00 179.01 179.17 2ww4 h ALA 254 N 0.57 1.15 0.00 2.92 0.00 -1.21 -2.03 119.26 120.67 2ww4 h ALA 254 Ca 0.02 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2ww4 h ALA 254 Cb 0.69 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ww4 h ALA 254 CO 0.03 -0.13 -0.51 0.00 0.00 0.00 0.00 179.25 178.64 2ww4 h ARG 255 N 0.55 0.00 -0.25 0.00 3.08 -0.97 -1.51 114.38 115.27 2ww4 h ARG 255 Ca 0.43 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.49 2ww4 h ARG 255 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2ww4 h ARG 255 CO -0.36 0.37 0.15 0.37 -1.07 0.00 0.00 179.97 179.42 2ww4 h GLN 256 N 0.00 0.30 -0.18 0.04 5.75 -0.58 -1.00 115.11 119.43 2ww4 h GLN 256 Ca -0.02 -0.02 -0.17 0.00 -0.15 0.00 0.00 58.65 58.29 2ww4 h GLN 256 Cb 1.32 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.80 2ww4 h GLN 256 CO 0.05 0.20 -0.59 0.28 -2.65 0.00 0.00 178.83 176.11 2ww4 h VAL 257 N 0.31 1.32 -0.35 2.39 2.07 -1.16 -2.96 116.25 117.87 2ww4 h VAL 257 Ca 0.10 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.81 2ww4 h VAL 257 Cb -0.01 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2ww4 h VAL 257 CO -0.04 0.58 0.14 0.25 0.02 0.00 0.00 177.57 178.51 2ww4 h LEU 258 N 0.45 0.16 -2.17 2.57 5.85 -1.12 0.15 115.31 121.20 2ww4 h LEU 258 Ca -0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2ww4 h LEU 258 Cb 1.16 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2ww4 h LEU 258 CO 0.11 0.13 -0.07 -0.33 -0.34 0.00 0.00 178.44 177.95 2ww4 h GLU 259 N 0.29 0.00 0.00 1.25 3.07 -1.09 -0.44 114.58 117.67 2ww4 h GLU 259 Ca 0.15 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.96 2ww4 h GLU 259 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2ww4 h GLU 259 CO -0.15 0.07 -0.65 1.96 -1.40 0.00 0.00 179.01 178.84 2ww4 h GLN 260 N 0.00 0.00 -6.89 2.33 4.20 -1.19 -3.48 115.11 110.08 2ww4 h GLN 260 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 2ww4 h GLN 260 Cb 0.18 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.06 2ww4 h GLN 260 CO 0.01 0.16 0.79 0.00 -0.67 0.00 0.00 178.83 179.12 2ww4 n ALA 261 N -2.20 2.38 -1.58 3.87 0.00 -0.04 -4.99 120.51 117.95 2ww4 n ALA 261 Ca 0.00 0.35 -0.36 0.00 0.00 0.00 0.00 53.44 53.43 2ww4 n ALA 261 Cb 0.63 -2.43 0.07 0.00 0.00 0.00 0.00 19.45 17.73 2ww4 n ALA 261 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2ww4 s PRO 262 N -1.68 2.47 0.36 0.00 0.02 -1.26 -4.94 135.00 129.96 2ww4 s PRO 262 Ca 0.56 1.88 0.10 0.00 0.02 0.00 0.00 61.00 63.57 2ww4 s PRO 262 Cb -0.48 -1.86 0.87 0.00 0.02 0.00 0.00 34.50 33.04 2ww4 s PRO 262 CO 0.60 -1.61 1.84 1.49 -0.33 0.00 0.00 177.00 178.98 2ww4 h GLU 263 N 0.26 0.62 0.00 5.54 4.81 -1.97 -2.00 114.58 121.85 2ww4 h GLU 263 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2ww4 h GLU 263 Cb 1.31 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2ww4 h GLU 263 CO 0.52 0.41 0.00 -2.67 -0.73 0.00 0.00 179.01 176.54 2ww4 n TRP 264 N -4.60 0.00 0.49 0.92 4.27 -1.26 -0.76 117.44 116.50 2ww4 n TRP 264 Ca 0.20 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.94 2ww4 n TRP 264 Cb 0.56 -0.31 0.44 0.00 -1.36 0.00 0.00 31.31 30.64 2ww4 n TRP 264 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 2ww4 h LEU 265 N 0.00 0.00 -3.13 5.67 4.07 -1.69 -3.41 115.31 116.82 2ww4 h LEU 265 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 2ww4 h LEU 265 Cb 0.10 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.76 2ww4 h LEU 265 CO 0.00 0.00 -0.86 0.59 -1.08 0.00 0.00 178.44 177.09 2ww4 n ASN 266 N -2.38 -1.69 -4.92 -0.43 3.02 0.06 -1.29 115.26 107.64 2ww4 n ASN 266 Ca 0.04 -1.13 -0.29 0.00 -0.03 0.00 0.00 54.58 53.17 2ww4 n ASN 266 Cb 0.36 -1.37 -0.04 0.00 -0.61 0.00 0.00 39.78 38.13 2ww4 n ASN 266 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2ww4 s GLY 267 N -3.93 1.96 0.22 7.41 0.00 -1.26 -3.11 107.32 108.61 2ww4 s GLY 267 Ca 0.25 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2ww4 s GLY 267 CO 0.85 -0.73 0.11 -0.11 0.00 0.00 0.00 173.10 173.22 2ww4 s PHE 268 N -1.76 1.32 -0.07 1.90 -0.12 -0.63 -4.99 117.98 113.64 2ww4 s PHE 268 Ca 0.38 -1.27 0.04 0.00 -0.05 0.00 0.00 56.93 56.04 2ww4 s PHE 268 Cb -0.12 -0.71 -0.01 0.00 -0.63 0.00 0.00 43.02 41.55 2ww4 s PHE 268 CO 0.28 -0.48 -0.21 0.08 -0.05 0.00 0.00 175.22 174.84 2ww4 s VAL 269 N -3.95 2.45 0.03 -2.49 1.01 -1.26 -0.61 120.40 115.58 2ww4 s VAL 269 Ca 0.37 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 2ww4 s VAL 269 Cb 0.07 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2ww4 s VAL 269 CO 0.12 0.57 0.27 0.00 0.00 0.00 0.00 175.10 176.05 2ww4 s ALA 270 N -0.19 -0.59 -0.03 5.51 0.00 -0.16 -4.97 121.76 121.33 2ww4 s ALA 270 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 2ww4 s ALA 270 Cb -0.13 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2ww4 s ALA 270 CO 0.03 -0.37 0.45 0.21 0.00 0.00 0.00 175.76 176.08 2ww4 s LYS 271 N -2.33 4.09 0.20 0.00 2.20 -1.26 -0.04 119.74 122.60 2ww4 s LYS 271 Ca -0.07 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.70 2ww4 s LYS 271 Cb -0.02 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 2ww4 s LYS 271 CO -0.02 0.52 1.30 0.20 -0.36 0.00 0.00 175.35 176.98 2ww4 s GLY 272 N -0.55 2.49 -0.03 5.54 0.00 0.10 -1.28 107.32 113.59 2ww4 s GLY 272 Ca 0.25 1.09 0.03 0.00 0.00 0.00 0.00 44.72 46.09 2ww4 s GLY 272 CO 0.13 2.05 -0.10 -1.34 0.00 0.00 0.00 173.10 173.83 2ww4 s VAL 273 N 0.07 0.88 -0.10 1.40 -7.23 -0.25 -4.47 120.40 110.70 2ww4 s VAL 273 Ca 0.56 -0.40 0.15 0.00 -1.81 0.00 0.00 61.98 60.48 2ww4 s VAL 273 Cb -0.36 -0.78 -0.08 0.00 0.56 0.00 0.00 36.38 35.72 2ww4 s VAL 273 CO 0.38 0.27 1.09 0.78 -0.31 0.00 0.00 175.10 177.31 2ww4 h ASN 274 N 6.45 0.00 -3.38 4.85 2.35 -1.91 -2.59 115.58 121.35 2ww4 h ASN 274 Ca -0.33 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.81 2ww4 h ASN 274 Cb 1.17 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.41 2ww4 h ASN 274 CO 0.48 0.63 -0.49 -0.22 -1.65 0.00 0.00 177.43 176.18 2ww4 s LEU 275 N -6.15 4.18 0.31 1.61 2.96 -1.26 0.32 118.68 120.65 2ww4 s LEU 275 Ca -0.00 0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.81 2ww4 s LEU 275 Cb 0.08 -2.10 -0.11 0.00 0.50 0.00 0.00 46.19 44.56 2ww4 s LEU 275 CO 0.79 0.14 1.49 -0.55 -1.32 0.00 0.00 176.35 176.90 2ww4 s SER 276 N 0.61 6.48 0.34 3.68 0.15 -0.31 -4.83 113.70 119.82 2ww4 s SER 276 Ca 0.08 2.88 0.10 0.00 0.70 0.00 0.00 55.95 59.71 2ww4 s SER 276 Cb -0.12 -2.64 0.87 0.00 -1.71 0.00 0.00 66.02 62.42 2ww4 s SER 276 CO 0.00 -0.80 1.79 -0.65 1.20 0.00 0.00 173.24 174.78 2ww4 h PRO 277 N 4.19 0.61 0.00 5.44 0.11 -1.91 0.23 132.00 140.67 2ww4 h PRO 277 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ww4 h PRO 277 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ww4 h PRO 277 CO 0.73 0.40 0.00 -0.11 -0.21 0.00 0.00 178.00 178.81 2ww4 n LEU 278 N -4.70 0.00 -0.23 2.35 7.94 -1.26 -1.64 117.00 119.45 2ww4 n LEU 278 Ca 0.23 0.82 0.06 0.00 -1.11 0.00 0.00 56.01 56.01 2ww4 n LEU 278 Cb 0.65 -0.32 0.31 0.00 0.53 0.00 0.00 43.42 44.60 2ww4 n LEU 278 CO 0.23 -0.32 1.23 0.45 -1.11 0.00 0.00 177.39 177.87 2ww4 h HIS 279 N 0.00 0.87 -0.26 1.96 3.86 -1.73 -1.62 115.15 118.22 2ww4 h HIS 279 Ca 0.00 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 2ww4 h HIS 279 Cb 0.00 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 28.13 2ww4 h HIS 279 CO -0.22 0.45 -0.08 -0.09 0.86 0.00 0.00 177.93 178.85 2ww4 h ARG 280 N 0.85 -0.02 -2.30 2.45 2.43 -0.47 0.10 114.38 117.42 2ww4 h ARG 280 Ca 0.35 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.44 2ww4 h ARG 280 Cb 0.28 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2ww4 h ARG 280 CO -0.13 -0.01 -0.02 0.00 -1.51 0.00 0.00 179.97 178.30 2ww4 n ALA 281 N -2.52 3.86 -1.83 2.80 0.00 -0.61 -5.08 120.51 117.13 2ww4 n ALA 281 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2ww4 n ALA 281 Cb 0.16 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2ww4 n ALA 281 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17