#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w3i s GLU 3 N 0.00 1.06 -0.17 0.54 2.02 -0.15 -4.92 118.70 117.07 1w3i s GLU 3 Ca 0.00 -1.24 -0.04 0.00 0.02 0.00 0.00 54.97 53.71 1w3i s GLU 3 Cb 0.00 -1.01 -0.03 0.00 0.10 0.00 0.00 34.13 33.20 1w3i s GLU 3 CO 0.00 0.20 -0.02 0.42 0.02 0.00 0.00 175.26 175.88 1w3i s ILE 4 N -1.98 3.91 -0.09 -1.63 -1.09 -1.26 -1.75 121.20 117.31 1w3i s ILE 4 Ca 0.09 -0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.21 1w3i s ILE 4 Cb -0.06 -2.74 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1w3i s ILE 4 CO 0.04 0.47 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.37 1w3i s ILE 5 N 0.63 2.32 -0.21 2.92 1.01 -0.16 -1.09 121.20 126.61 1w3i s ILE 5 Ca -0.02 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.56 1w3i s ILE 5 Cb -0.14 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1w3i s ILE 5 CO 0.02 0.56 0.27 -0.89 0.00 0.00 0.00 174.94 174.90 1w3i s THR 6 N 0.14 5.29 -0.87 2.92 2.01 -0.54 -1.32 115.64 123.27 1w3i s THR 6 Ca -0.11 0.45 -0.24 0.00 0.31 0.00 0.00 61.69 62.09 1w3i s THR 6 Cb -0.16 -3.61 0.06 0.00 0.01 0.00 0.00 72.50 68.79 1w3i s THR 6 CO 0.06 0.32 1.29 -2.16 -0.69 0.00 0.00 174.62 173.44 1w3i s PRO 7 N 1.06 3.39 0.28 4.92 0.04 -1.26 -0.32 135.00 143.11 1w3i s PRO 7 Ca 0.13 -0.85 -0.29 0.00 0.04 0.00 0.00 61.00 60.03 1w3i s PRO 7 Cb -0.14 -4.75 -0.10 0.00 0.04 0.00 0.00 34.50 29.55 1w3i s PRO 7 CO 0.05 -2.09 1.29 -1.50 0.04 0.00 0.00 177.00 174.79 1w3i s ILE 8 N 4.86 2.98 0.43 0.56 2.07 -0.72 -4.39 121.20 126.98 1w3i s ILE 8 Ca 0.38 0.91 -0.25 0.00 -1.41 0.00 0.00 60.65 60.27 1w3i s ILE 8 Cb -0.05 -3.58 -0.08 0.00 0.13 0.00 0.00 42.46 38.87 1w3i s ILE 8 CO 0.01 0.19 1.33 -0.63 -1.91 0.00 0.00 174.94 173.93 1w3i s ILE 9 N -0.66 2.46 -0.35 2.00 1.01 -1.26 -3.28 121.20 121.11 1w3i s ILE 9 Ca 0.51 0.40 -0.14 0.00 0.00 0.00 0.00 60.65 61.43 1w3i s ILE 9 Cb -0.38 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1w3i s ILE 9 CO 0.46 0.05 0.30 -0.89 0.00 0.00 0.00 174.94 174.86 1w3i s THR 10 N -1.26 5.23 0.17 2.92 2.01 -1.26 -4.92 115.64 118.53 1w3i s THR 10 Ca 0.59 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1w3i s THR 10 Cb -0.39 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 1w3i s THR 10 CO 0.50 -0.10 0.99 -2.16 -0.69 0.00 0.00 174.62 173.16 1w3i s PRO 11 N 1.85 4.73 0.22 4.92 0.04 -1.26 -4.82 135.00 140.69 1w3i s PRO 11 Ca 0.08 1.53 0.10 0.00 0.04 0.00 0.00 61.00 62.75 1w3i s PRO 11 Cb -0.17 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1w3i s PRO 11 CO 0.11 0.29 -0.10 -0.06 0.04 0.00 0.00 177.00 177.28 1w3i s PHE 12 N -0.48 2.58 0.78 0.56 0.40 -0.31 -0.78 117.98 120.73 1w3i s PHE 12 Ca 0.45 -0.25 -0.09 0.00 -0.60 0.00 0.00 56.93 56.45 1w3i s PHE 12 Cb -0.26 -1.21 0.10 0.00 0.51 0.00 0.00 43.02 42.17 1w3i s PHE 12 CO 0.32 0.57 1.10 0.95 0.70 0.00 0.00 175.22 178.87 1w3i s THR 13 N -1.99 2.15 0.53 0.64 -4.23 0.86 -1.08 115.64 112.51 1w3i s THR 13 Ca 0.27 -0.20 0.22 0.00 -1.18 0.00 0.00 61.69 60.80 1w3i s THR 13 Cb -0.07 -2.95 0.36 0.00 1.34 0.00 0.00 72.50 71.17 1w3i s THR 13 CO 0.16 0.00 2.05 0.50 -0.54 0.00 0.00 174.62 176.79 1w3i h LYS 14 N -0.89 0.00 -0.88 3.99 3.64 -1.96 -0.88 116.57 119.59 1w3i h LYS 14 Ca -0.44 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.38 1w3i h LYS 14 Cb 1.30 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.82 1w3i h LYS 14 CO 0.54 0.00 0.42 -0.40 -2.27 0.00 0.00 179.45 177.75 1w3i n ASP 15 N -4.43 5.83 -2.31 4.20 5.75 -1.26 -4.95 116.55 119.39 1w3i n ASP 15 Ca 0.06 -3.75 -0.17 0.00 -0.01 0.00 0.00 54.79 50.91 1w3i n ASP 15 Cb 0.44 -0.80 0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1w3i n ASP 15 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1w3i n ASN 16 N -0.95 -5.04 -4.66 -1.12 5.15 -0.34 -5.02 115.26 103.28 1w3i n ASN 16 Ca 0.55 -0.20 -0.23 0.00 -0.60 0.00 0.00 54.58 54.10 1w3i n ASN 16 Cb 0.95 -3.91 -0.07 0.00 -0.53 0.00 0.00 39.78 36.22 1w3i n ASN 16 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1w3i s ARG 17 N -5.37 2.36 0.19 1.20 0.52 -1.26 -4.87 118.95 111.72 1w3i s ARG 17 Ca 0.21 -1.34 -0.30 0.00 -0.52 0.00 0.00 55.73 53.78 1w3i s ARG 17 Cb -0.09 -2.22 -0.09 0.00 0.52 0.00 0.00 34.95 33.07 1w3i s ARG 17 CO 0.26 0.38 1.35 0.42 0.02 0.00 0.00 175.30 177.74 1w3i s ILE 18 N -2.22 3.13 -0.81 1.52 1.01 -1.26 -0.10 121.20 122.47 1w3i s ILE 18 Ca 0.31 0.90 -0.17 0.00 0.00 0.00 0.00 60.65 61.69 1w3i s ILE 18 Cb -0.07 -3.58 0.15 0.00 0.01 0.00 0.00 42.46 38.98 1w3i s ILE 18 CO 0.20 0.12 0.90 -0.62 0.00 0.00 0.00 174.94 175.55 1w3i s ASP 19 N 0.53 6.55 0.25 3.58 -1.08 0.04 -4.79 116.67 121.76 1w3i s ASP 19 Ca 0.59 -2.08 -0.04 0.00 -0.52 0.00 0.00 52.55 50.49 1w3i s ASP 19 Cb -0.38 -2.31 0.29 0.00 -1.46 0.00 0.00 42.92 39.06 1w3i s ASP 19 CO 0.37 -0.93 1.83 0.11 0.52 0.00 0.00 175.17 177.08 1w3i h LYS 20 N 8.60 1.06 -0.42 4.34 1.57 -1.92 -1.77 116.57 128.02 1w3i h LYS 20 Ca 0.02 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1w3i h LYS 20 Cb 1.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1w3i h LYS 20 CO 0.99 0.85 -0.20 0.93 -0.57 0.00 0.00 179.45 181.45 1w3i h GLU 21 N 1.04 0.83 -0.22 3.15 4.39 -1.99 -1.09 114.58 120.70 1w3i h GLU 21 Ca 0.25 -0.33 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 1w3i h GLU 21 Cb 0.17 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1w3i h GLU 21 CO -0.02 0.96 -0.42 0.87 -1.16 0.00 0.00 179.01 179.23 1w3i h LYS 22 N 0.73 0.53 -0.54 2.33 1.57 -1.83 -2.23 116.57 117.14 1w3i h LYS 22 Ca 0.10 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1w3i h LYS 22 Cb 0.72 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1w3i h LYS 22 CO 0.06 0.86 0.21 1.25 -0.57 0.00 0.00 179.45 181.25 1w3i h LEU 23 N 0.44 0.75 -0.40 2.94 5.85 -1.10 -1.70 115.31 122.09 1w3i h LEU 23 Ca 0.03 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1w3i h LEU 23 Cb 0.92 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1w3i h LEU 23 CO 0.08 0.72 0.04 0.11 -0.34 0.00 0.00 178.44 179.05 1w3i h LYS 24 N 0.73 0.68 -0.57 1.25 1.57 -1.02 -0.56 116.57 118.65 1w3i h LYS 24 Ca 0.18 -0.20 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1w3i h LYS 24 Cb 0.21 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 1w3i h LYS 24 CO -0.01 0.75 0.08 0.82 -0.57 0.00 0.00 179.45 180.51 1w3i h ILE 25 N 0.52 0.62 -0.18 1.86 1.08 -1.27 -0.23 117.51 119.91 1w3i h ILE 25 Ca 0.12 -0.07 -0.08 0.00 -0.39 0.00 0.00 64.86 64.44 1w3i h ILE 25 Cb 0.41 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1w3i h ILE 25 CO 0.01 0.04 -0.21 -0.74 -0.69 0.00 0.00 178.15 176.56 1w3i h HIS 26 N 0.20 0.55 -0.60 1.37 2.76 -0.96 -1.75 115.15 116.72 1w3i h HIS 26 Ca 0.29 -0.17 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1w3i h HIS 26 Cb 0.44 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 1w3i h HIS 26 CO -0.28 0.84 0.35 0.00 -1.30 0.00 0.00 177.93 177.55 1w3i h ALA 27 N 0.62 0.78 -0.23 5.26 0.00 -0.92 -0.68 119.26 124.09 1w3i h ALA 27 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1w3i h ALA 27 Cb 0.76 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1w3i h ALA 27 CO 0.05 0.07 0.07 1.49 0.00 0.00 0.00 179.25 180.93 1w3i h GLU 28 N 0.69 0.16 -0.56 0.00 4.81 -0.94 -2.03 114.58 116.71 1w3i h GLU 28 Ca 0.25 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1w3i h GLU 28 Cb 0.06 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1w3i h GLU 28 CO -0.12 0.11 0.37 -0.97 -0.73 0.00 0.00 179.01 177.67 1w3i h ASN 29 N 0.17 0.65 -0.31 1.04 -1.24 -0.78 -1.54 115.58 113.56 1w3i h ASN 29 Ca 0.10 -0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.10 1w3i h ASN 29 Cb 0.08 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 1w3i h ASN 29 CO -0.11 0.47 0.19 -0.07 -1.29 0.00 0.00 177.43 176.61 1w3i h LEU 30 N 0.76 0.31 -0.70 0.34 3.38 -0.82 -1.36 115.31 117.22 1w3i h LEU 30 Ca 0.21 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1w3i h LEU 30 Cb -0.09 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1w3i h LEU 30 CO -0.04 0.23 0.23 0.40 0.09 0.00 0.00 178.44 179.34 1w3i h ILE 31 N 0.39 1.26 0.00 1.22 1.08 -1.14 -2.14 117.51 118.17 1w3i h ILE 31 Ca 0.12 -0.88 -0.03 0.00 -0.39 0.00 0.00 64.86 63.68 1w3i h ILE 31 Cb -0.01 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1w3i h ILE 31 CO -0.05 0.34 -0.14 0.03 -0.69 0.00 0.00 178.15 177.64 1w3i h ARG 32 N 1.03 0.00 -0.20 2.37 3.08 -1.02 -1.53 114.38 118.12 1w3i h ARG 32 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1w3i h ARG 32 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1w3i h ARG 32 CO -0.01 0.14 0.00 1.63 -1.07 0.00 0.00 179.97 180.66 1w3i n LYS 33 N -3.79 1.82 0.00 0.04 5.02 -0.53 -4.92 118.16 115.79 1w3i n LYS 33 Ca -0.02 -1.23 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 1w3i n LYS 33 Cb 0.25 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1w3i n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1w3i n GLY 34 N 1.17 1.03 3.76 0.72 0.00 -0.57 -4.63 105.19 106.67 1w3i n GLY 34 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1w3i n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w3i s ILE 35 N -2.00 2.50 -0.05 -0.61 -1.09 -0.88 -4.90 121.20 114.17 1w3i s ILE 35 Ca 0.00 0.47 -0.24 0.00 -2.23 0.00 0.00 60.65 58.65 1w3i s ILE 35 Cb 0.00 -3.30 -0.25 0.00 -1.58 0.00 0.00 42.46 37.33 1w3i s ILE 35 CO 0.00 0.10 0.98 0.44 -1.23 0.00 0.00 174.94 175.23 1w3i h ASP 36 N 3.80 0.28 -5.15 3.58 3.32 -1.45 -3.42 116.42 117.38 1w3i h ASP 36 Ca -0.49 -0.83 -0.08 0.00 0.02 0.00 0.00 57.03 55.65 1w3i h ASP 36 Cb 1.23 -0.09 -0.13 0.00 0.22 0.00 0.00 39.33 40.56 1w3i h ASP 36 CO 0.69 1.08 -0.28 -0.54 -1.72 0.00 0.00 179.24 178.47 1w3i s LYS 37 N -2.90 0.96 -0.10 3.56 1.02 -1.24 -4.91 119.74 116.13 1w3i s LYS 37 Ca -0.16 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 54.92 1w3i s LYS 37 Cb 0.01 0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 37.68 1w3i s LYS 37 CO 0.76 -0.34 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.19 1w3i s LEU 38 N -2.87 2.63 -0.33 3.17 1.43 0.49 -1.47 118.68 121.74 1w3i s LEU 38 Ca 0.07 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1w3i s LEU 38 Cb 0.04 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.69 1w3i s LEU 38 CO -0.09 0.22 0.18 0.12 0.23 0.00 0.00 176.35 177.00 1w3i s PHE 39 N 0.05 3.20 -0.14 0.29 5.36 0.57 -0.95 117.98 126.35 1w3i s PHE 39 Ca -0.06 -0.60 -0.06 0.00 -0.96 0.00 0.00 56.93 55.25 1w3i s PHE 39 Cb -0.15 -2.39 -0.04 0.00 -0.34 0.00 0.00 43.02 40.11 1w3i s PHE 39 CO 0.05 -0.48 0.07 0.08 -1.46 0.00 0.00 175.22 173.47 1w3i s VAL 40 N 1.62 4.89 -0.74 3.12 1.01 0.05 -1.75 120.40 128.58 1w3i s VAL 40 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1w3i s VAL 40 Cb -0.18 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1w3i s VAL 40 CO 0.07 0.54 0.05 0.59 0.00 0.00 0.00 175.10 176.35 1w3i n ASN 41 N 2.78 -3.18 -2.07 3.32 3.02 -1.26 -1.08 115.26 116.79 1w3i n ASN 41 Ca -0.18 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1w3i n ASN 41 Cb 0.53 -2.39 0.00 0.00 -0.61 0.00 0.00 39.78 37.31 1w3i n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w3i n GLY 42 N -1.02 -0.50 0.16 7.41 0.00 -1.26 -3.95 105.19 106.03 1w3i n GLY 42 Ca -0.09 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.09 1w3i n GLY 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1w3i h THR 43 N -0.67 1.08 -0.19 2.61 2.02 -1.95 0.22 112.91 116.03 1w3i h THR 43 Ca 0.00 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1w3i h THR 43 Cb 0.00 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1w3i h THR 43 CO 0.00 0.09 -0.00 0.74 0.37 0.00 0.00 175.52 176.72 1w3i h THR 44 N 0.48 1.12 -0.20 3.16 2.02 -1.89 0.03 112.91 117.63 1w3i h THR 44 Ca 0.14 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1w3i h THR 44 Cb -0.04 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1w3i h THR 44 CO -0.04 0.16 0.00 0.61 0.37 0.00 0.00 175.52 176.62 1w3i n GLY 45 N -1.16 -0.04 3.69 2.16 0.00 -0.96 -4.41 105.19 104.48 1w3i n GLY 45 Ca -0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1w3i n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1w3i n LEU 46 N 0.08 -2.83 -0.22 0.99 4.77 -0.00 -4.15 117.00 115.63 1w3i n LEU 46 Ca 0.07 -0.63 0.01 0.00 -0.03 0.00 0.00 56.01 55.43 1w3i n LEU 46 Cb 0.17 -2.75 0.08 0.00 -2.33 0.00 0.00 43.42 38.59 1w3i n LEU 46 CO 0.05 0.51 0.76 1.23 -1.33 0.00 0.00 177.39 178.60 1w3i h GLY 47 N -2.21 0.54 2.00 -0.72 0.00 -1.09 0.43 103.07 102.02 1w3i h GLY 47 Ca -0.56 0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1w3i h GLY 47 CO 0.62 -0.25 0.00 -2.55 0.00 0.00 0.00 176.54 174.36 1w3i h PRO 48 N 0.02 0.00 -0.01 4.80 0.11 -1.83 -0.77 132.00 134.33 1w3i h PRO 48 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1w3i h PRO 48 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1w3i h PRO 48 CO -0.66 0.00 -0.29 0.43 -0.21 0.00 0.00 178.00 177.28 1w3i n SER 49 N -2.54 0.99 -4.80 -2.05 7.64 0.13 -4.90 113.62 108.08 1w3i n SER 49 Ca -0.01 -0.84 -0.36 0.00 1.01 0.00 0.00 58.87 58.67 1w3i n SER 49 Cb 0.09 0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 63.38 1w3i n SER 49 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1w3i s LEU 50 N -2.55 4.31 0.85 -3.43 1.43 -0.30 -5.10 118.68 113.90 1w3i s LEU 50 Ca 0.23 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.65 1w3i s LEU 50 Cb 0.19 -2.16 0.10 0.00 0.03 0.00 0.00 46.19 44.36 1w3i s LEU 50 CO 0.54 0.28 1.12 -0.94 0.23 0.00 0.00 176.35 177.58 1w3i s SER 51 N -0.34 3.67 0.27 2.29 1.04 -1.26 -4.77 113.70 114.60 1w3i s SER 51 Ca 0.13 1.98 -0.01 0.00 0.48 0.00 0.00 55.95 58.54 1w3i s SER 51 Cb -0.12 -2.53 0.47 0.00 0.10 0.00 0.00 66.02 63.94 1w3i s SER 51 CO 0.03 -2.59 1.85 -0.65 0.98 0.00 0.00 173.24 172.85 1w3i h PRO 52 N -1.52 1.00 -0.98 4.02 0.11 -1.96 -0.09 132.00 132.58 1w3i h PRO 52 Ca -0.44 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1w3i h PRO 52 Cb 1.25 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1w3i h PRO 52 CO 0.47 0.66 0.64 0.93 -0.21 0.00 0.00 178.00 180.49 1w3i h GLU 53 N 1.03 1.21 -0.31 1.05 3.07 -1.99 -1.77 114.58 116.87 1w3i h GLU 53 Ca 0.46 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 59.12 1w3i h GLU 53 Cb 0.35 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1w3i h GLU 53 CO -0.23 0.80 -0.31 0.93 -1.40 0.00 0.00 179.01 178.80 1w3i h GLU 54 N 1.25 0.66 -0.69 2.33 5.08 -1.59 -0.00 114.58 121.61 1w3i h GLU 54 Ca 0.39 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1w3i h GLU 54 Cb -0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1w3i h GLU 54 CO -0.12 0.89 0.46 0.87 -1.00 0.00 0.00 179.01 180.10 1w3i h LYS 55 N 0.56 0.92 -0.49 2.33 1.57 -0.60 -0.93 116.57 119.93 1w3i h LYS 55 Ca 0.07 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1w3i h LYS 55 Cb 0.81 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1w3i h LYS 55 CO 0.07 0.61 -0.17 1.25 -0.57 0.00 0.00 179.45 180.64 1w3i h LEU 56 N 0.94 0.98 -1.07 2.94 5.85 -1.09 -2.62 115.31 121.23 1w3i h LEU 56 Ca 0.25 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1w3i h LEU 56 Cb -0.10 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.60 1w3i h LEU 56 CO -0.05 1.12 0.62 -0.08 -0.34 0.00 0.00 178.44 179.71 1w3i h GLU 57 N 0.84 1.06 -0.58 1.25 4.81 -0.62 -1.50 114.58 119.85 1w3i h GLU 57 Ca 0.12 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1w3i h GLU 57 Cb 0.73 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1w3i h GLU 57 CO 0.06 0.70 0.24 -0.91 -0.73 0.00 0.00 179.01 178.37 1w3i h ASN 58 N 1.10 0.80 -0.55 1.04 2.35 -0.98 -1.84 115.58 117.50 1w3i h ASN 58 Ca 0.42 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1w3i h ASN 58 Cb 0.21 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1w3i h ASN 58 CO -0.17 0.75 0.25 0.25 -1.65 0.00 0.00 177.43 176.86 1w3i h LEU 59 N 0.81 0.72 -0.52 1.61 5.85 -1.04 -1.61 115.31 121.14 1w3i h LEU 59 Ca 0.20 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1w3i h LEU 59 Cb 0.19 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1w3i h LEU 59 CO -0.02 0.66 0.03 0.11 -0.34 0.00 0.00 178.44 178.89 1w3i h LYS 60 N 0.74 0.89 0.08 1.25 1.57 -1.04 0.10 116.57 120.16 1w3i h LYS 60 Ca 0.19 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1w3i h LYS 60 Cb 0.14 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1w3i h LYS 60 CO -0.02 0.90 -0.04 0.00 -0.57 0.00 0.00 179.45 179.72 1w3i h ALA 61 N 0.95 -0.11 -0.33 3.86 0.00 -1.22 -2.68 119.26 119.74 1w3i h ALA 61 Ca 0.15 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1w3i h ALA 61 Cb 0.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1w3i h ALA 61 CO 0.02 -0.52 -0.26 0.28 0.00 0.00 0.00 179.25 178.77 1w3i h VAL 62 N -0.19 1.27 0.00 0.00 2.07 -1.14 -2.70 116.25 115.56 1w3i h VAL 62 Ca -0.01 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1w3i h VAL 62 Cb 0.16 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1w3i h VAL 62 CO 0.02 0.44 -0.04 0.22 0.02 0.00 0.00 177.57 178.23 1w3i h TYR 63 N 0.57 0.00 -0.02 1.57 3.20 -0.66 0.32 116.97 121.95 1w3i h TYR 63 Ca 0.08 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1w3i h TYR 63 Cb 0.74 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 1w3i h TYR 63 CO 0.03 0.04 0.03 -0.44 -1.64 0.00 0.00 178.16 176.18 1w3i h ASP 64 N 0.00 0.00 0.00 -2.11 3.32 -1.14 -3.24 116.42 113.26 1w3i h ASP 64 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1w3i h ASP 64 Cb 0.10 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 1w3i h ASP 64 CO 0.01 0.00 -2.39 0.52 -1.72 0.00 0.00 179.24 175.65 1w3i n VAL 65 N -3.77 1.40 -3.60 -1.35 0.31 0.03 -5.06 118.33 106.29 1w3i n VAL 65 Ca -0.02 -0.53 -0.16 0.00 -0.01 0.00 0.00 64.34 63.62 1w3i n VAL 65 Cb 0.11 -1.39 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 1w3i n VAL 65 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1w3i s THR 66 N -2.49 0.02 -2.35 2.52 -1.32 -0.76 -4.99 115.64 106.27 1w3i s THR 66 Ca -0.33 -0.15 0.23 0.00 -1.21 0.00 0.00 61.69 60.23 1w3i s THR 66 Cb 0.09 -0.87 0.49 0.00 -1.51 0.00 0.00 72.50 70.70 1w3i s THR 66 CO 0.56 -0.08 1.62 -0.46 -2.21 0.00 0.00 174.62 174.05 1w3i n ASN 67 N 1.12 1.61 -3.76 8.08 2.04 -1.26 -4.04 115.26 119.04 1w3i n ASN 67 Ca -0.20 -1.63 -0.42 0.00 -0.44 0.00 0.00 54.58 51.89 1w3i n ASN 67 Cb 0.57 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 1w3i n ASN 67 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1w3i n LYS 68 N 0.27 3.51 -4.85 -3.83 4.76 -1.26 -3.65 118.16 113.11 1w3i n LYS 68 Ca 0.17 -3.19 -0.26 0.00 -2.87 0.00 0.00 58.31 52.16 1w3i n LYS 68 Cb 0.34 -2.99 -0.16 0.00 -1.84 0.00 0.00 35.03 30.38 1w3i n LYS 68 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1w3i s ILE 69 N 1.10 1.43 -0.21 -0.18 1.01 -1.26 -0.38 121.20 122.71 1w3i s ILE 69 Ca 0.44 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1w3i s ILE 69 Cb 0.12 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1w3i s ILE 69 CO -0.03 0.41 -0.02 -0.63 0.00 0.00 0.00 174.94 174.66 1w3i s ILE 70 N -0.14 3.60 -0.40 2.92 1.01 -0.12 -0.93 121.20 127.14 1w3i s ILE 70 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 1w3i s ILE 70 Cb -0.10 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1w3i s ILE 70 CO 0.01 0.42 0.26 0.12 0.00 0.00 0.00 174.94 175.75 1w3i s PHE 71 N 1.32 3.24 0.00 3.97 5.36 -0.36 -0.77 117.98 130.75 1w3i s PHE 71 Ca 0.04 -0.75 -0.28 0.00 -0.96 0.00 0.00 56.93 54.98 1w3i s PHE 71 Cb -0.14 -2.53 -0.04 0.00 -0.34 0.00 0.00 43.02 39.97 1w3i s PHE 71 CO -0.01 -0.62 0.90 -1.14 -1.46 0.00 0.00 175.22 172.90 1w3i s GLN 72 N 1.63 4.55 0.00 10.12 -0.44 -0.24 -0.65 119.66 134.63 1w3i s GLN 72 Ca 0.04 1.28 0.00 0.00 -2.50 0.00 0.00 55.36 54.18 1w3i s GLN 72 Cb -0.19 -3.44 0.00 0.00 -1.64 0.00 0.00 33.01 27.74 1w3i s GLN 72 CO 0.09 0.03 0.29 1.33 0.50 0.00 0.00 175.29 177.53 1w3i n VAL 73 N 3.64 0.04 -1.68 1.34 0.24 -0.26 -4.72 118.33 116.94 1w3i n VAL 73 Ca 0.03 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.77 1w3i n VAL 73 Cb 0.51 1.45 0.09 0.00 -1.47 0.00 0.00 33.84 34.41 1w3i n VAL 73 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1w3i s GLY 74 N -0.04 1.61 0.00 7.63 0.00 -1.26 -4.38 107.32 110.88 1w3i s GLY 74 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1w3i s GLY 74 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.78 1w3i n GLY 75 N -2.52 -1.32 1.09 0.20 0.00 -1.26 -4.96 105.19 96.42 1w3i n GLY 75 Ca 0.07 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.27 1w3i n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1w3i n LEU 76 N 0.00 3.21 -4.04 0.99 4.77 -1.26 -4.53 117.00 116.14 1w3i n LEU 76 Ca 0.00 -1.48 -0.32 0.00 -0.03 0.00 0.00 56.01 54.18 1w3i n LEU 76 Cb 0.00 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 40.64 1w3i n LEU 76 CO 0.00 0.74 -0.32 0.21 -1.33 0.00 0.00 177.39 176.69 1w3i s ASN 77 N -1.29 4.82 0.45 -1.43 3.84 -1.26 -4.99 114.94 115.07 1w3i s ASN 77 Ca 0.40 -2.10 0.12 0.00 0.21 0.00 0.00 52.86 51.49 1w3i s ASN 77 Cb 0.22 -1.65 1.03 0.00 -0.55 0.00 0.00 41.25 40.30 1w3i s ASN 77 CO 0.30 -0.39 2.04 0.25 -2.79 0.00 0.00 177.10 176.51 1w3i h LEU 78 N 7.68 0.32 -1.00 3.21 5.85 -2.00 -1.77 115.31 127.58 1w3i h LEU 78 Ca -0.06 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1w3i h LEU 78 Cb 1.02 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1w3i h LEU 78 CO 0.54 0.21 0.65 0.44 -0.34 0.00 0.00 178.44 179.95 1w3i h ASP 79 N 0.37 1.08 -0.26 1.25 3.32 -1.97 -0.42 116.42 119.79 1w3i h ASP 79 Ca 0.17 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1w3i h ASP 79 Cb 0.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1w3i h ASP 79 CO -0.04 0.72 -0.29 0.44 -1.72 0.00 0.00 179.24 178.35 1w3i h ASP 80 N 1.24 0.79 -0.28 6.45 3.32 -1.74 -1.69 116.42 124.50 1w3i h ASP 80 Ca 0.41 -0.31 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1w3i h ASP 80 Cb 0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1w3i h ASP 80 CO -0.14 1.03 -0.42 0.00 -1.72 0.00 0.00 179.24 177.99 1w3i h ALA 81 N 1.02 0.62 -0.58 3.45 0.00 -1.14 -1.52 119.26 121.12 1w3i h ALA 81 Ca 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1w3i h ALA 81 Cb 0.82 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1w3i h ALA 81 CO 0.07 0.67 0.33 0.82 0.00 0.00 0.00 179.25 181.14 1w3i h ILE 82 N 0.68 1.18 -0.82 0.00 2.04 -0.99 -1.05 117.51 118.54 1w3i h ILE 82 Ca 0.05 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1w3i h ILE 82 Cb 0.99 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1w3i h ILE 82 CO 0.10 0.19 0.44 -0.09 0.00 0.00 0.00 178.15 178.79 1w3i h ARG 83 N 0.78 1.15 -0.49 2.37 2.43 -1.07 -0.17 114.38 119.39 1w3i h ARG 83 Ca 0.20 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1w3i h ARG 83 Cb 0.02 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1w3i h ARG 83 CO -0.04 0.86 0.03 -0.07 -1.51 0.00 0.00 179.97 179.24 1w3i h LEU 84 N 1.15 0.83 -0.28 3.80 3.38 -0.94 -0.79 115.31 122.46 1w3i h LEU 84 Ca 0.29 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1w3i h LEU 84 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1w3i h LEU 84 CO -0.05 0.91 0.13 0.00 0.09 0.00 0.00 178.44 179.53 1w3i h ALA 85 N 0.94 0.33 -0.56 1.53 0.00 -0.82 -2.32 119.26 118.37 1w3i h ALA 85 Ca 0.14 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1w3i h ALA 85 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1w3i h ALA 85 CO 0.02 -0.26 0.05 0.87 0.00 0.00 0.00 179.25 179.93 1w3i h LYS 86 N 0.28 0.92 0.00 0.00 1.57 -0.88 -2.81 116.57 115.65 1w3i h LYS 86 Ca 0.11 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1w3i h LYS 86 Cb 0.04 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1w3i h LYS 86 CO -0.08 0.89 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.55 1w3i h LEU 87 N 0.86 0.00 0.00 2.94 3.38 -0.80 -2.20 115.31 119.50 1w3i h LEU 87 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1w3i h LEU 87 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1w3i h LEU 87 CO 0.02 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 1w3i n SER 88 N -3.59 0.00 -0.35 -0.43 3.41 -0.90 -3.45 113.62 108.30 1w3i n SER 88 Ca -0.02 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.15 1w3i n SER 88 Cb 0.17 -0.47 0.32 0.00 -0.26 0.00 0.00 64.21 63.97 1w3i n SER 88 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1w3i h LYS 89 N 0.00 0.73 0.00 4.33 3.64 -1.51 -1.63 116.57 122.13 1w3i h LYS 89 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1w3i h LYS 89 Cb 0.38 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1w3i h LYS 89 CO 0.00 0.48 0.00 -0.25 -2.27 0.00 0.00 179.45 177.41 1w3i n ASP 90 N -4.78 0.00 -4.26 4.20 8.00 -1.22 -4.71 116.55 113.78 1w3i n ASP 90 Ca 0.24 -0.86 -0.33 0.00 0.71 0.00 0.00 54.79 54.55 1w3i n ASP 90 Cb 0.58 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.52 1w3i n ASP 90 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1w3i s PHE 91 N -2.00 2.69 -1.37 1.24 0.40 -0.62 -5.04 117.98 113.29 1w3i s PHE 91 Ca 0.32 -1.01 -0.09 0.00 -0.60 0.00 0.00 56.93 55.55 1w3i s PHE 91 Cb 0.15 -1.81 0.10 0.00 0.51 0.00 0.00 43.02 41.97 1w3i s PHE 91 CO 0.25 -0.42 2.21 -3.47 0.70 0.00 0.00 175.22 174.49 1w3i n ASP 92 N 3.76 6.01 -4.98 1.36 2.03 -1.26 -4.94 116.55 118.52 1w3i n ASP 92 Ca -0.19 -2.99 -0.23 0.00 0.52 0.00 0.00 54.79 51.90 1w3i n ASP 92 Cb 0.52 -1.50 0.04 0.00 -0.72 0.00 0.00 41.12 39.46 1w3i n ASP 92 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1w3i s ILE 93 N 0.83 1.82 0.01 5.18 -4.36 -1.26 -4.80 121.20 118.62 1w3i s ILE 93 Ca 0.48 -1.22 -0.20 0.00 -0.26 0.00 0.00 60.65 59.45 1w3i s ILE 93 Cb 0.14 -2.03 -0.20 0.00 1.25 0.00 0.00 42.46 41.62 1w3i s ILE 93 CO -0.05 0.00 1.18 0.58 0.24 0.00 0.00 174.94 176.89 1w3i h VAL 94 N 0.37 1.42 -1.99 8.37 2.07 -1.10 -3.48 116.25 121.91 1w3i h VAL 94 Ca -0.32 -1.79 0.38 0.00 0.82 0.00 0.00 66.70 65.80 1w3i h VAL 94 Cb 1.30 2.34 -0.08 0.00 -1.52 0.00 0.00 31.29 33.33 1w3i h VAL 94 CO 0.47 0.52 0.96 -0.83 0.02 0.00 0.00 177.57 178.71 1w3i s GLY 95 N -3.84 -0.20 0.40 2.17 0.00 -1.16 -4.33 107.32 100.37 1w3i s GLY 95 Ca -0.14 0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.82 1w3i s GLY 95 CO 0.79 5.87 0.31 -0.26 0.00 0.00 0.00 173.10 179.80 1w3i s ILE 96 N -2.02 2.66 0.11 0.90 -4.36 -0.28 -1.22 121.20 116.98 1w3i s ILE 96 Ca 0.30 -1.45 -0.12 0.00 -0.26 0.00 0.00 60.65 59.12 1w3i s ILE 96 Cb 0.00 -3.01 0.01 0.00 1.25 0.00 0.00 42.46 40.71 1w3i s ILE 96 CO -0.02 -0.03 0.28 0.00 0.24 0.00 0.00 174.94 175.41 1w3i s ALA 97 N -2.49 -0.49 -0.08 2.27 0.00 0.18 -0.32 121.76 120.84 1w3i s ALA 97 Ca 0.45 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 1w3i s ALA 97 Cb -0.02 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.71 1w3i s ALA 97 CO 0.26 -0.57 0.27 0.45 0.00 0.00 0.00 175.76 176.17 1w3i s SER 98 N -2.84 -0.24 0.77 0.00 0.15 -0.97 -1.10 113.70 109.47 1w3i s SER 98 Ca 0.05 0.40 -0.11 0.00 0.70 0.00 0.00 55.95 56.98 1w3i s SER 98 Cb 0.04 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 64.89 1w3i s SER 98 CO -0.11 -0.18 1.13 -0.72 1.20 0.00 0.00 173.24 174.56 1w3i s TYR 99 N -0.26 3.01 0.65 3.44 -0.85 -1.26 -1.30 117.35 120.77 1w3i s TYR 99 Ca -0.04 0.74 -0.15 0.00 -0.52 0.00 0.00 57.07 57.10 1w3i s TYR 99 Cb -0.03 -3.36 -0.01 0.00 0.38 0.00 0.00 41.96 38.94 1w3i s TYR 99 CO 0.01 -1.60 1.11 0.00 -1.52 0.00 0.00 175.55 173.55 1w3i s ALA 100 N -3.47 2.51 -0.06 9.51 0.00 -1.25 -4.78 121.76 124.21 1w3i s ALA 100 Ca 0.61 0.55 -0.38 0.00 0.00 0.00 0.00 51.96 52.74 1w3i s ALA 100 Cb -0.11 -3.31 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 1w3i s ALA 100 CO 0.49 -1.20 1.56 -2.30 0.00 0.00 0.00 175.76 174.31 1w3i n PRO 101 N -2.31 1.31 -2.36 0.00 -0.02 -1.26 -4.93 135.00 125.42 1w3i n PRO 101 Ca 0.10 0.47 -0.14 0.00 -2.02 0.00 0.00 63.50 61.92 1w3i n PRO 101 Cb 0.52 -2.16 0.05 0.00 -0.02 0.00 0.00 33.50 31.89 1w3i n PRO 101 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1w3i n TYR 102 N 4.03 -2.56 0.00 6.00 0.18 -1.26 -4.73 117.16 118.81 1w3i n TYR 102 Ca 0.22 -1.49 0.00 0.00 1.88 0.00 0.00 57.90 58.51 1w3i n TYR 102 Cb 0.18 -0.41 0.00 0.00 -0.38 0.00 0.00 39.34 38.73 1w3i n TYR 102 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1w3i n TYR 103 N -1.97 0.00 -1.90 -3.48 9.36 -1.25 -4.91 117.16 113.01 1w3i n TYR 103 Ca 0.12 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.91 1w3i n TYR 103 Cb 0.43 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.11 1w3i n TYR 103 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1w3i s TYR 104 N 0.00 1.73 0.71 2.98 1.51 -1.26 -4.97 117.35 118.04 1w3i s TYR 104 Ca 0.00 0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 56.07 1w3i s TYR 104 Cb 0.00 -4.02 0.02 0.00 -0.11 0.00 0.00 41.96 37.85 1w3i s TYR 104 CO 0.00 -4.13 1.09 -2.14 -1.11 0.00 0.00 175.55 169.26 1w3i s PRO 105 N 4.54 2.61 -1.40 -1.71 0.02 -1.26 -4.31 135.00 133.50 1w3i s PRO 105 Ca 0.80 1.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 1w3i s PRO 105 Cb -0.34 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.26 1w3i s PRO 105 CO 0.33 -1.37 0.59 0.54 -0.33 0.00 0.00 177.00 176.76 1w3i n ARG 106 N -2.98 -4.05 -2.70 5.54 1.74 -1.26 -4.95 116.66 108.00 1w3i n ARG 106 Ca 0.09 0.50 -0.39 0.00 -0.77 0.00 0.00 57.85 57.28 1w3i n ARG 106 Cb 0.53 -4.88 -0.06 0.00 -1.02 0.00 0.00 32.46 27.03 1w3i n ARG 106 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1w3i s MET 107 N -6.38 4.73 0.52 5.56 -1.94 -1.26 -5.03 119.30 115.51 1w3i s MET 107 Ca 0.10 1.51 -0.19 0.00 -1.71 0.00 0.00 55.69 55.40 1w3i s MET 107 Cb -0.05 -3.13 -0.07 0.00 2.01 0.00 0.00 34.83 33.59 1w3i s MET 107 CO 0.86 0.39 1.05 -1.54 -0.01 0.00 0.00 175.02 175.76 1w3i s SER 108 N -1.24 6.17 0.23 3.03 1.04 -1.26 -4.89 113.70 116.78 1w3i s SER 108 Ca 0.44 1.90 -0.06 0.00 0.48 0.00 0.00 55.95 58.71 1w3i s SER 108 Cb -0.25 -2.55 0.37 0.00 0.10 0.00 0.00 66.02 63.68 1w3i s SER 108 CO 0.31 -0.90 1.78 -0.08 0.98 0.00 0.00 173.24 175.33 1w3i h GLU 109 N 1.21 0.61 -0.77 4.02 4.81 -1.99 -1.00 114.58 121.48 1w3i h GLU 109 Ca -0.49 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1w3i h GLU 109 Cb 1.22 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 1w3i h GLU 109 CO 0.59 0.41 0.47 0.87 -0.73 0.00 0.00 179.01 180.61 1w3i h LYS 110 N 0.63 0.84 -0.38 1.92 1.57 -1.99 0.85 116.57 120.01 1w3i h LYS 110 Ca 0.37 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1w3i h LYS 110 Cb 0.40 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1w3i h LYS 110 CO -0.28 0.56 -0.32 0.45 -0.57 0.00 0.00 179.45 179.29 1w3i h HIS 111 N 0.87 1.06 -0.61 -1.35 3.86 -1.78 -1.23 115.15 115.97 1w3i h HIS 111 Ca 0.33 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1w3i h HIS 111 Cb 0.14 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1w3i h HIS 111 CO -0.05 1.12 0.30 -0.07 0.86 0.00 0.00 177.93 180.09 1w3i h LEU 112 N 0.71 0.78 -0.48 2.43 3.38 -0.69 -1.34 115.31 120.10 1w3i h LEU 112 Ca 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1w3i h LEU 112 Cb 0.91 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1w3i h LEU 112 CO 0.08 0.68 0.24 0.58 0.09 0.00 0.00 178.44 180.11 1w3i h VAL 113 N 0.83 1.18 -0.87 1.22 2.07 -0.80 -2.35 116.25 117.53 1w3i h VAL 113 Ca 0.21 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1w3i h VAL 113 Cb 0.09 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1w3i h VAL 113 CO -0.03 0.20 0.50 0.50 0.02 0.00 0.00 177.57 178.77 1w3i h LYS 114 N 0.63 1.20 0.03 1.57 3.64 -0.91 0.59 116.57 123.31 1w3i h LYS 114 Ca 0.17 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1w3i h LYS 114 Cb 0.10 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1w3i h LYS 114 CO -0.02 0.86 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.93 1w3i h TYR 115 N 1.21 -0.42 -0.39 1.91 3.20 -0.96 -0.80 116.97 120.71 1w3i h TYR 115 Ca 0.31 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.07 1w3i h TYR 115 Cb -0.01 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1w3i h TYR 115 CO 0.00 -0.24 -0.24 0.74 -1.64 0.00 0.00 178.16 176.78 1w3i h PHE 116 N -0.28 1.00 -0.28 -3.82 -1.00 -0.91 -2.67 116.94 108.98 1w3i h PHE 116 Ca 0.04 -0.26 -0.05 0.00 2.81 0.00 0.00 57.97 60.51 1w3i h PHE 116 Cb 0.34 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1w3i h PHE 116 CO -0.20 1.05 -0.06 0.87 -1.61 0.00 0.00 178.31 178.35 1w3i h LYS 117 N 0.67 0.44 -0.47 1.51 1.57 -0.78 -0.69 116.57 118.81 1w3i h LYS 117 Ca 0.08 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1w3i h LYS 117 Cb 0.81 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1w3i h LYS 117 CO 0.07 0.51 0.27 1.15 -0.57 0.00 0.00 179.45 180.88 1w3i h THR 118 N 0.41 1.03 -0.61 -0.16 2.02 -0.95 0.08 112.91 114.73 1w3i h THR 118 Ca 0.09 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1w3i h THR 118 Cb 0.37 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1w3i h THR 118 CO 0.02 0.10 0.27 -0.07 0.37 0.00 0.00 175.52 176.21 1w3i h LEU 119 N 0.53 0.81 -1.16 2.58 3.38 -1.02 -2.69 115.31 117.75 1w3i h LEU 119 Ca 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1w3i h LEU 119 Cb 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1w3i h LEU 119 CO -0.10 0.74 0.37 0.00 0.09 0.00 0.00 178.44 179.54 1w3i h GLU 121 N 0.96 0.00 0.00 0.00 5.08 -0.67 -2.92 114.58 117.03 1w3i h GLU 121 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1w3i h GLU 121 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1w3i h GLU 121 CO -0.04 0.40 -0.84 1.33 -1.00 0.00 0.00 179.01 178.86 1w3i n VAL 122 N -4.04 0.04 -2.50 3.13 0.24 -1.05 -4.99 118.33 109.16 1w3i n VAL 122 Ca -0.02 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 1w3i n VAL 122 Cb 0.43 0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 1w3i n VAL 122 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1w3i s SER 123 N -3.26 7.18 0.00 -1.34 0.15 -0.72 -4.51 113.70 111.19 1w3i s SER 123 Ca 0.08 1.94 0.22 0.00 0.70 0.00 0.00 55.95 58.89 1w3i s SER 123 Cb 0.16 -2.58 1.10 0.00 -1.71 0.00 0.00 66.02 62.99 1w3i s SER 123 CO 0.79 -0.38 1.74 -0.81 1.20 0.00 0.00 173.24 175.78 1w3i n PRO 124 N 3.68 1.30 -4.19 5.44 -0.04 -1.26 -4.89 135.00 135.03 1w3i n PRO 124 Ca 0.07 -0.45 -0.11 0.00 -0.04 0.00 0.00 63.50 62.97 1w3i n PRO 124 Cb 0.47 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 1w3i n PRO 124 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1w3i s HIS 125 N -1.93 1.03 0.54 0.54 3.76 -1.26 -4.96 115.29 113.00 1w3i s HIS 125 Ca 0.33 -1.16 -0.20 0.00 -0.15 0.00 0.00 55.06 53.88 1w3i s HIS 125 Cb 0.16 -0.58 -0.07 0.00 1.11 0.00 0.00 32.58 33.20 1w3i s HIS 125 CO 0.26 -0.40 0.91 -2.30 -0.85 0.00 0.00 174.74 172.36 1w3i n PRO 126 N -0.17 0.99 -4.82 8.40 -0.02 -1.26 -4.66 135.00 133.45 1w3i n PRO 126 Ca -0.05 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 1w3i n PRO 126 Cb 0.64 -2.05 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 1w3i n PRO 126 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1w3i s VAL 127 N -1.47 3.12 -0.08 -1.45 1.01 -1.26 -1.13 120.40 119.14 1w3i s VAL 127 Ca 0.70 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1w3i s VAL 127 Cb -0.47 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1w3i s VAL 127 CO 0.51 0.57 -0.12 -0.31 0.00 0.00 0.00 175.10 175.75 1w3i s TYR 128 N -0.32 2.78 -0.09 5.22 1.51 0.57 -0.65 117.35 126.37 1w3i s TYR 128 Ca 0.03 -0.25 -0.25 0.00 -1.01 0.00 0.00 57.07 55.60 1w3i s TYR 128 Cb -0.13 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1w3i s TYR 128 CO 0.02 0.11 0.76 -1.17 -1.11 0.00 0.00 175.55 174.16 1w3i s LEU 129 N -0.44 4.28 -0.44 -1.29 2.96 -0.36 -2.29 118.68 121.10 1w3i s LEU 129 Ca 0.06 1.23 -0.11 0.00 -0.22 0.00 0.00 54.13 55.08 1w3i s LEU 129 Cb -0.12 -3.17 0.08 0.00 0.50 0.00 0.00 46.19 43.49 1w3i s LEU 129 CO 0.02 -0.20 0.32 -0.47 -1.32 0.00 0.00 176.35 174.70 1w3i s TYR 130 N 1.17 3.32 -0.28 5.38 5.04 -0.42 -0.50 117.35 131.05 1w3i s TYR 130 Ca 0.39 -1.41 -0.14 0.00 -2.44 0.00 0.00 57.07 53.47 1w3i s TYR 130 Cb -0.18 -3.12 -0.04 0.00 0.35 0.00 0.00 41.96 38.97 1w3i s TYR 130 CO 0.18 -0.86 0.33 1.21 -1.34 0.00 0.00 175.55 175.06 1w3i s ASN 131 N 2.39 6.19 -0.44 4.32 2.47 0.53 -3.92 114.94 126.47 1w3i s ASN 131 Ca 0.04 0.17 0.05 0.00 0.42 0.00 0.00 52.86 53.54 1w3i s ASN 131 Cb -0.24 -2.19 0.18 0.00 -1.45 0.00 0.00 41.25 37.55 1w3i s ASN 131 CO 0.03 -0.17 0.44 0.00 -3.72 0.00 0.00 177.10 173.69 1w3i n TYR 132 N 5.27 -1.64 -0.37 0.43 -0.00 -1.26 -0.84 117.16 118.75 1w3i n TYR 132 Ca -0.10 -2.83 0.03 0.00 -0.00 0.00 0.00 57.90 55.00 1w3i n TYR 132 Cb 0.51 0.55 0.18 0.00 -0.00 0.00 0.00 39.34 40.58 1w3i n TYR 132 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 1w3i h PRO 133 N 5.41 1.11 -0.57 2.98 0.11 -1.73 -1.54 132.00 137.77 1w3i h PRO 133 Ca 0.21 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 1w3i h PRO 133 Cb 0.96 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 1w3i h PRO 133 CO 0.29 0.74 0.18 1.15 -0.21 0.00 0.00 178.00 180.15 1w3i h THR 134 N 1.14 1.24 -0.14 -1.15 2.02 -1.87 -0.15 112.91 114.00 1w3i h THR 134 Ca 0.44 -0.80 -0.21 0.00 0.77 0.00 0.00 66.41 66.61 1w3i h THR 134 Cb 0.21 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1w3i h THR 134 CO -0.19 0.30 -0.74 0.00 0.37 0.00 0.00 175.52 175.26 1w3i h ALA 135 N 1.05 0.43 0.00 6.16 0.00 -1.90 -3.36 119.26 121.64 1w3i h ALA 135 Ca 0.18 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1w3i h ALA 135 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1w3i h ALA 135 CO -0.01 0.71 -1.51 0.25 0.00 0.00 0.00 179.25 178.70 1w3i n THR 136 N -3.91 0.00 -0.80 0.00 -2.24 -0.60 -4.66 114.28 102.07 1w3i n THR 136 Ca -0.06 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1w3i n THR 136 Cb 0.72 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1w3i n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w3i n GLY 137 N 1.40 0.89 3.12 3.38 0.00 -0.08 -3.84 105.19 110.07 1w3i n GLY 137 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1w3i n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w3i s LYS 138 N -0.20 0.77 -0.21 1.61 0.00 -1.25 -4.85 119.74 115.62 1w3i s LYS 138 Ca 0.00 -1.33 -0.00 0.00 0.00 0.00 0.00 55.97 54.64 1w3i s LYS 138 Cb 0.00 0.18 0.02 0.00 0.00 0.00 0.00 37.83 38.03 1w3i s LYS 138 CO 0.00 -0.17 -0.14 0.34 0.00 0.00 0.00 175.35 175.39 1w3i s ASP 139 N -2.99 3.66 -1.02 0.03 2.15 -1.26 -3.80 116.67 113.45 1w3i s ASP 139 Ca 0.15 -0.68 -0.09 0.00 0.43 0.00 0.00 52.55 52.36 1w3i s ASP 139 Cb 0.08 -1.57 0.26 0.00 -0.30 0.00 0.00 42.92 41.38 1w3i s ASP 139 CO -0.04 -0.04 0.99 -0.63 -0.17 0.00 0.00 175.17 175.27 1w3i s ILE 140 N 1.32 5.68 0.49 4.11 -1.09 -1.26 -5.00 121.20 125.45 1w3i s ILE 140 Ca 0.03 -3.26 -0.08 0.00 -2.23 0.00 0.00 60.65 55.11 1w3i s ILE 140 Cb -0.14 -4.45 0.11 0.00 -1.58 0.00 0.00 42.46 36.40 1w3i s ILE 140 CO -0.09 -1.13 0.60 -0.90 -1.23 0.00 0.00 174.94 172.18 1w3i n ASP 141 N 2.95 -0.32 -0.05 3.58 5.68 -1.26 -4.60 116.55 122.53 1w3i n ASP 141 Ca 0.21 -1.13 0.04 0.00 -0.50 0.00 0.00 54.79 53.41 1w3i n ASP 141 Cb 0.41 -0.48 0.40 0.00 -1.14 0.00 0.00 41.12 40.31 1w3i n ASP 141 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1w3i h ALA 142 N -2.01 1.70 -0.17 2.12 0.00 -1.87 0.70 119.26 119.73 1w3i h ALA 142 Ca -0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1w3i h ALA 142 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1w3i h ALA 142 CO 0.14 0.27 -0.30 -0.22 0.00 0.00 0.00 179.25 179.13 1w3i h LYS 143 N 0.62 0.50 -0.42 0.00 3.64 -1.91 -1.60 116.57 117.40 1w3i h LYS 143 Ca 0.19 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 1w3i h LYS 143 Cb -0.00 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1w3i h LYS 143 CO -0.04 0.92 -0.17 0.28 -2.27 0.00 0.00 179.45 178.16 1w3i h VAL 144 N 0.14 1.27 -0.67 2.00 2.07 -1.75 -1.11 116.25 118.20 1w3i h VAL 144 Ca 0.01 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1w3i h VAL 144 Cb 0.89 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1w3i h VAL 144 CO 0.07 0.43 0.35 0.00 0.02 0.00 0.00 177.57 178.44 1w3i h ALA 145 N 1.09 0.86 -0.74 1.67 0.00 -0.84 -0.19 119.26 121.10 1w3i h ALA 145 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1w3i h ALA 145 Cb 0.68 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1w3i h ALA 145 CO 0.05 0.40 0.26 -0.22 0.00 0.00 0.00 179.25 179.74 1w3i h LYS 146 N 0.92 1.14 -0.35 0.00 3.64 -0.94 0.00 116.57 120.98 1w3i h LYS 146 Ca 0.23 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1w3i h LYS 146 Cb 0.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1w3i h LYS 146 CO -0.03 0.96 -0.08 1.49 -2.27 0.00 0.00 179.45 179.52 1w3i h GLU 147 N 1.09 0.59 -0.13 1.90 4.57 -0.83 -2.79 114.58 118.98 1w3i h GLU 147 Ca 0.24 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 1w3i h GLU 147 Cb 0.27 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1w3i h GLU 147 CO -0.01 0.66 -0.05 0.82 -1.18 0.00 0.00 179.01 179.25 1w3i h ILE 148 N 0.55 1.31 0.00 2.32 2.04 -0.70 -3.48 117.51 119.54 1w3i h ILE 148 Ca 0.10 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1w3i h ILE 148 Cb 0.46 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1w3i h ILE 148 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.09 1w3i n GLY 149 N -0.04 0.83 0.00 5.37 0.00 -0.04 -4.85 105.19 106.46 1w3i n GLY 149 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1w3i n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w3i s PHE 151 N -0.72 3.63 0.17 0.00 2.99 -1.26 -4.44 117.98 118.34 1w3i s PHE 151 Ca 0.00 1.67 0.10 0.00 0.00 0.00 0.00 56.93 58.70 1w3i s PHE 151 Cb 0.00 -3.14 0.11 0.00 0.00 0.00 0.00 43.02 39.99 1w3i s PHE 151 CO 0.00 -0.10 1.46 1.15 -0.00 0.00 0.00 175.22 177.74 1w3i h THR 152 N 4.83 1.48 -2.86 0.64 2.02 -1.26 -3.46 112.91 114.30 1w3i h THR 152 Ca -0.40 -2.66 0.08 0.00 0.77 0.00 0.00 66.41 64.20 1w3i h THR 152 Cb 1.21 2.46 -0.05 0.00 -1.74 0.00 0.00 68.15 70.03 1w3i h THR 152 CO 0.77 0.75 0.29 -0.83 0.37 0.00 0.00 175.52 176.87 1w3i s GLY 153 N -4.57 -0.07 -0.01 2.16 0.00 -1.23 -1.66 107.32 101.95 1w3i s GLY 153 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 1w3i s GLY 153 CO 0.78 -0.04 0.03 0.54 0.00 0.00 0.00 173.10 174.42 1w3i s VAL 154 N -3.59 0.01 -0.25 1.40 0.11 -0.17 -1.23 120.40 116.69 1w3i s VAL 154 Ca 0.12 -0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1w3i s VAL 154 Cb -0.05 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1w3i s VAL 154 CO 0.06 -0.06 0.05 -0.75 -3.33 0.00 0.00 175.10 171.07 1w3i s LYS 155 N -0.18 3.54 -0.34 1.54 2.20 0.34 -0.79 119.74 126.06 1w3i s LYS 155 Ca -0.02 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.01 1w3i s LYS 155 Cb -0.02 -3.27 0.06 0.00 -1.51 0.00 0.00 37.83 33.09 1w3i s LYS 155 CO -0.00 -0.22 0.09 0.34 -0.36 0.00 0.00 175.35 175.21 1w3i s ASP 156 N 1.58 5.15 -0.68 1.43 3.68 -0.20 -0.35 116.67 127.27 1w3i s ASP 156 Ca 0.06 -1.43 -0.17 0.00 2.13 0.00 0.00 52.55 53.15 1w3i s ASP 156 Cb -0.15 -1.80 0.15 0.00 -1.45 0.00 0.00 42.92 39.67 1w3i s ASP 156 CO 0.02 -0.36 0.70 -0.89 0.13 0.00 0.00 175.17 174.77 1w3i s THR 157 N 1.28 5.17 -0.02 1.71 2.01 -0.02 -0.76 115.64 125.01 1w3i s THR 157 Ca -0.01 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.05 1w3i s THR 157 Cb -0.21 -4.47 0.08 0.00 0.01 0.00 0.00 72.50 67.92 1w3i s THR 157 CO -0.00 -1.06 0.73 -0.51 -0.69 0.00 0.00 174.62 173.08 1w3i s ILE 158 N 1.59 0.00 -0.77 1.82 2.07 -1.26 -4.22 121.20 120.44 1w3i s ILE 158 Ca 0.13 0.00 0.25 0.00 -1.41 0.00 0.00 60.65 59.62 1w3i s ILE 158 Cb -0.20 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.43 1w3i s ILE 158 CO -0.01 0.00 1.37 -0.62 -1.91 0.00 0.00 174.94 173.77 1w3i n GLU 159 N 0.53 0.19 -3.09 3.50 4.71 -1.26 -4.72 120.64 120.50 1w3i n GLU 159 Ca -0.16 0.05 -0.45 0.00 -0.01 0.00 0.00 57.16 56.59 1w3i n GLU 159 Cb 0.59 -1.62 -0.04 0.00 -1.01 0.00 0.00 31.44 29.36 1w3i n GLU 159 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1w3i s ASN 160 N -3.78 6.20 0.43 1.62 2.47 -1.26 -4.90 114.94 115.72 1w3i s ASN 160 Ca 0.08 -1.42 0.29 0.00 0.42 0.00 0.00 52.86 52.22 1w3i s ASN 160 Cb 0.15 -2.31 1.07 0.00 -1.45 0.00 0.00 41.25 38.70 1w3i s ASN 160 CO 0.71 -1.14 1.84 -0.29 -3.72 0.00 0.00 177.10 174.50 1w3i h ILE 161 N 5.91 0.00 -0.79 -5.21 2.10 -2.01 -2.11 117.51 115.40 1w3i h ILE 161 Ca -0.28 -0.51 0.05 0.00 1.08 0.00 0.00 64.86 65.21 1w3i h ILE 161 Cb 1.08 1.44 -0.06 0.00 -1.09 0.00 0.00 36.82 38.19 1w3i h ILE 161 CO 1.11 0.00 0.48 0.40 -1.08 0.00 0.00 178.15 179.06 1w3i h ILE 162 N 0.00 1.05 -0.65 2.19 2.04 -1.99 0.22 117.51 120.37 1w3i h ILE 162 Ca 0.00 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1w3i h ILE 162 Cb 0.56 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1w3i h ILE 162 CO 0.00 0.16 0.16 -0.74 0.00 0.00 0.00 178.15 177.73 1w3i h HIS 163 N 0.90 1.06 -0.17 1.37 2.76 -1.81 -1.47 115.15 117.79 1w3i h HIS 163 Ca 0.34 -0.11 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1w3i h HIS 163 Cb 0.13 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 1w3i h HIS 163 CO -0.04 0.87 -0.18 1.15 -1.30 0.00 0.00 177.93 178.42 1w3i h THR 164 N 0.97 1.34 -0.56 6.26 2.02 -1.42 -2.91 112.91 118.61 1w3i h THR 164 Ca 0.21 -1.35 0.08 0.00 0.77 0.00 0.00 66.41 66.12 1w3i h THR 164 Cb 0.34 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 1w3i h THR 164 CO 0.00 0.40 0.37 -0.07 0.37 0.00 0.00 175.52 176.60 1w3i h LEU 165 N 0.07 0.36 -2.10 2.58 3.38 -0.83 -2.05 115.31 116.71 1w3i h LEU 165 Ca 0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1w3i h LEU 165 Cb 0.72 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1w3i h LEU 165 CO 0.04 0.23 -0.07 0.44 0.09 0.00 0.00 178.44 179.17 1w3i h ASP 166 N 0.41 0.00 -0.61 -0.43 3.32 -1.06 -1.30 116.42 116.75 1w3i h ASP 166 Ca 0.25 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1w3i h ASP 166 Cb 0.46 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1w3i h ASP 166 CO -0.07 0.07 0.18 1.88 -1.72 0.00 0.00 179.24 179.58 1w3i h TYR 167 N 0.00 0.99 -0.50 4.55 -1.99 -1.42 -0.81 116.97 117.78 1w3i h TYR 167 Ca -0.00 -0.10 -0.13 0.00 2.00 0.00 0.00 58.73 60.50 1w3i h TYR 167 Cb 0.15 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 1w3i h TYR 167 CO 0.00 0.82 -0.19 -0.22 -0.00 0.00 0.00 178.16 178.57 1w3i h LYS 168 N 0.87 1.01 -0.58 4.88 1.63 -1.39 0.13 116.57 123.12 1w3i h LYS 168 Ca 0.19 -0.42 -0.01 0.00 -0.85 0.00 0.00 60.65 59.56 1w3i h LYS 168 Cb 0.30 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 1w3i h LYS 168 CO -0.00 1.10 0.31 -0.09 -3.45 0.00 0.00 179.45 177.32 1w3i h ARG 169 N 0.88 0.82 0.00 1.90 2.43 -0.95 -2.97 114.38 116.48 1w3i h ARG 169 Ca 0.12 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1w3i h ARG 169 Cb 0.77 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1w3i h ARG 169 CO 0.06 0.63 -0.76 -0.07 -1.51 0.00 0.00 179.97 178.33 1w3i h LEU 170 N 0.78 0.00 -6.29 3.80 3.38 -1.10 -3.41 115.31 112.48 1w3i h LEU 170 Ca 0.20 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.58 1w3i h LEU 170 Cb 0.06 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.42 1w3i h LEU 170 CO -0.03 0.01 -0.96 0.59 0.09 0.00 0.00 178.44 178.14 1w3i n ASN 171 N -2.73 0.38 0.30 -0.43 3.02 0.44 -4.97 115.26 111.27 1w3i n ASN 171 Ca 0.01 -2.64 0.16 0.00 -0.03 0.00 0.00 54.58 52.08 1w3i n ASN 171 Cb 0.54 -0.61 0.95 0.00 -0.61 0.00 0.00 39.78 40.05 1w3i n ASN 171 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1w3i h PRO 172 N 4.93 0.00 -0.01 3.52 0.11 -1.74 -1.00 132.00 137.82 1w3i h PRO 172 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1w3i h PRO 172 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1w3i h PRO 172 CO 0.47 0.02 -0.20 0.09 -0.21 0.00 0.00 178.00 178.16 1w3i n ASN 173 N -3.66 1.17 -4.77 -2.05 3.02 -1.26 -4.94 115.26 102.77 1w3i n ASN 173 Ca -0.03 -1.05 -0.38 0.00 -0.03 0.00 0.00 54.58 53.10 1w3i n ASN 173 Cb 0.10 0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 1w3i n ASN 173 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1w3i s MET 174 N -2.39 4.66 0.01 3.52 1.75 -0.38 -4.99 119.30 121.48 1w3i s MET 174 Ca 0.27 1.40 -0.30 0.00 -1.25 0.00 0.00 55.69 55.81 1w3i s MET 174 Cb 0.20 -2.96 -0.03 0.00 2.84 0.00 0.00 34.83 34.88 1w3i s MET 174 CO 0.48 0.34 0.97 -0.51 -0.65 0.00 0.00 175.02 175.65 1w3i s LEU 175 N -1.77 4.38 -0.18 4.11 1.43 -0.66 -4.87 118.68 121.11 1w3i s LEU 175 Ca 0.47 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1w3i s LEU 175 Cb -0.21 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.50 1w3i s LEU 175 CO 0.27 -0.24 -0.08 -0.69 0.23 0.00 0.00 176.35 175.84 1w3i s VAL 176 N 0.91 1.41 0.07 -1.59 1.01 -1.26 -1.00 120.40 119.95 1w3i s VAL 176 Ca 0.51 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1w3i s VAL 176 Cb -0.21 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1w3i s VAL 176 CO 0.28 0.17 -0.17 -0.31 0.00 0.00 0.00 175.10 175.06 1w3i s TYR 177 N 1.50 2.57 0.10 5.22 1.51 0.03 -1.10 117.35 127.19 1w3i s TYR 177 Ca -0.00 -0.24 -0.10 0.00 -1.01 0.00 0.00 57.07 55.72 1w3i s TYR 177 Cb -0.16 -1.43 -0.06 0.00 -0.11 0.00 0.00 41.96 40.20 1w3i s TYR 177 CO -0.08 0.31 0.43 0.45 -1.11 0.00 0.00 175.55 175.54 1w3i s SER 178 N -1.70 6.65 0.00 2.29 0.15 -0.33 -1.03 113.70 119.72 1w3i s SER 178 Ca 0.16 0.81 0.15 0.00 0.70 0.00 0.00 55.95 57.78 1w3i s SER 178 Cb -0.11 -2.19 0.44 0.00 -1.71 0.00 0.00 66.02 62.46 1w3i s SER 178 CO 0.07 0.13 1.37 0.61 1.20 0.00 0.00 173.24 176.63 1w3i n GLY 179 N 0.74 1.33 3.32 9.45 0.00 0.06 -0.74 105.19 119.34 1w3i n GLY 179 Ca -0.06 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 1w3i n GLY 179 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1w3i s SER 180 N -1.01 5.55 0.58 1.61 0.01 -1.26 -4.73 113.70 114.45 1w3i s SER 180 Ca 0.33 -1.13 0.31 0.00 1.31 0.00 0.00 55.95 56.78 1w3i s SER 180 Cb 0.17 -1.95 1.39 0.00 0.21 0.00 0.00 66.02 65.84 1w3i s SER 180 CO 0.23 -0.38 1.73 0.44 0.41 0.00 0.00 173.24 175.67 1w3i h ASP 181 N 8.34 0.00 0.76 2.44 3.32 -1.91 0.00 116.42 129.38 1w3i h ASP 181 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1w3i h ASP 181 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1w3i h ASP 181 CO 0.65 0.00 -0.01 0.23 -1.72 0.00 0.00 179.24 178.39 1w3i n MET 182 N -3.75 0.23 -0.24 3.56 2.81 -1.26 -3.63 117.12 114.85 1w3i n MET 182 Ca 0.17 -0.01 0.08 0.00 -1.81 0.00 0.00 57.70 56.13 1w3i n MET 182 Cb 1.05 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 32.24 1w3i n MET 182 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1w3i n LEU 183 N -1.38 3.07 -0.05 4.03 4.77 -0.01 -4.72 117.00 122.71 1w3i n LEU 183 Ca 0.11 -2.76 -0.08 0.00 -0.03 0.00 0.00 56.01 53.25 1w3i n LEU 183 Cb 0.29 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1w3i n LEU 183 CO 0.25 0.67 0.86 0.40 -1.33 0.00 0.00 177.39 178.25 1w3i h ILE 184 N 1.11 0.85 -0.42 -0.08 2.04 -1.69 0.95 117.51 120.27 1w3i h ILE 184 Ca 0.00 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1w3i h ILE 184 Cb 1.09 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1w3i h ILE 184 CO 0.10 0.01 0.13 0.00 0.00 0.00 0.00 178.15 178.39 1w3i h ALA 185 N 1.19 0.55 -0.33 1.87 0.00 -1.85 -2.21 119.26 118.47 1w3i h ALA 185 Ca 0.10 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1w3i h ALA 185 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1w3i h ALA 185 CO -0.17 0.20 -0.16 1.15 0.00 0.00 0.00 179.25 180.26 1w3i h THR 186 N 0.54 1.29 -0.19 0.00 2.02 -1.83 -1.62 112.91 113.12 1w3i h THR 186 Ca 0.14 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 1w3i h THR 186 Cb 0.26 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1w3i h THR 186 CO -0.00 0.42 0.11 0.58 0.37 0.00 0.00 175.52 176.99 1w3i h VAL 187 N 0.47 1.09 -0.86 3.16 2.07 -0.74 -1.46 116.25 119.98 1w3i h VAL 187 Ca 0.07 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1w3i h VAL 187 Cb 0.70 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 1w3i h VAL 187 CO 0.05 0.09 0.57 0.00 0.02 0.00 0.00 177.57 178.30 1w3i h ALA 188 N 1.01 1.48 0.00 1.67 0.00 -1.35 -2.70 119.26 119.37 1w3i h ALA 188 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1w3i h ALA 188 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1w3i h ALA 188 CO -0.01 0.43 -0.05 0.77 0.00 0.00 0.00 179.25 180.39 1w3i h SER 189 N 1.06 0.00 -0.44 0.00 0.02 -0.84 -3.29 113.55 110.06 1w3i h SER 189 Ca 0.35 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1w3i h SER 189 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1w3i h SER 189 CO -0.11 0.00 0.00 1.07 -1.14 0.00 0.00 176.83 176.65 1w3i n THR 190 N -2.94 0.78 -0.28 -2.27 5.66 -0.59 -4.96 114.28 109.68 1w3i n THR 190 Ca 0.04 -0.89 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1w3i n THR 190 Cb 0.51 0.69 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 1w3i n THR 190 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1w3i n GLY 191 N 1.08 0.84 4.01 1.09 0.00 -1.19 -5.07 105.19 105.96 1w3i n GLY 191 Ca 0.17 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1w3i n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w3i s LEU 192 N 0.00 3.10 0.00 0.99 1.43 -1.04 -5.03 118.68 118.13 1w3i s LEU 192 Ca 0.00 -0.56 0.25 0.00 -1.03 0.00 0.00 54.13 52.79 1w3i s LEU 192 Cb 0.00 -1.92 0.54 0.00 0.03 0.00 0.00 46.19 44.84 1w3i s LEU 192 CO 0.00 -1.52 1.43 0.47 0.23 0.00 0.00 176.35 176.96 1w3i n ASP 193 N -2.48 1.59 0.00 2.29 8.00 -0.26 -4.65 116.55 121.04 1w3i n ASP 193 Ca 0.14 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1w3i n ASP 193 Cb 0.61 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1w3i n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w3i n GLY 194 N 1.33 0.76 2.95 0.44 0.00 -1.25 -0.98 105.19 108.45 1w3i n GLY 194 Ca 0.13 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 1w3i n GLY 194 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1w3i s ASN 195 N -4.00 0.57 -0.45 1.61 0.01 -0.72 -1.18 114.94 110.78 1w3i s ASN 195 Ca 0.00 -0.09 -0.15 0.00 -0.71 0.00 0.00 52.86 51.92 1w3i s ASN 195 Cb 0.00 -0.07 0.06 0.00 0.41 0.00 0.00 41.25 41.65 1w3i s ASN 195 CO 0.00 0.06 0.35 -0.69 -1.51 0.00 0.00 177.10 175.31 1w3i s VAL 196 N -0.09 5.15 -0.25 1.60 1.01 0.08 -0.99 120.40 126.91 1w3i s VAL 196 Ca 0.02 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1w3i s VAL 196 Cb -0.02 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.40 1w3i s VAL 196 CO -0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 175.10 174.49 1w3i s ALA 197 N 1.63 2.51 0.26 5.51 0.00 -0.43 -4.29 121.76 126.95 1w3i s ALA 197 Ca 0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 1w3i s ALA 197 Cb -0.22 -1.51 0.48 0.00 0.00 0.00 0.00 23.12 21.86 1w3i s ALA 197 CO 0.07 -1.05 1.79 0.00 0.00 0.00 0.00 175.76 176.57 1w3i h ALA 198 N 7.80 1.25 0.00 0.00 0.00 -1.87 -1.58 119.26 124.87 1w3i h ALA 198 Ca -0.24 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1w3i h ALA 198 Cb 1.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1w3i h ALA 198 CO 0.49 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1w3i n GLY 199 N -1.32 -1.02 0.00 0.00 0.00 -1.26 -1.35 105.19 100.23 1w3i n GLY 199 Ca 0.16 0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.43 1w3i n GLY 199 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1w3i n SER 200 N -2.27 0.00 -0.27 1.61 3.41 -0.59 -1.06 113.62 114.45 1w3i n SER 200 Ca -0.00 0.33 -0.07 0.00 -0.26 0.00 0.00 58.87 58.87 1w3i n SER 200 Cb 0.11 -0.42 0.06 0.00 -0.26 0.00 0.00 64.21 63.69 1w3i n SER 200 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1w3i h ASN 201 N 0.00 1.09 0.00 4.04 2.35 -1.37 -2.81 115.58 118.88 1w3i h ASN 201 Ca 0.00 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.47 1w3i h ASN 201 Cb 0.27 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1w3i h ASN 201 CO 0.00 1.01 -1.67 0.00 -1.65 0.00 0.00 177.43 175.12 1w3i n TYR 202 N -4.25 0.00 -3.05 1.19 0.18 -0.96 -4.63 117.16 105.63 1w3i n TYR 202 Ca 0.06 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.60 1w3i n TYR 202 Cb 0.23 -0.39 -0.04 0.00 -0.38 0.00 0.00 39.34 38.76 1w3i n TYR 202 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1w3i n LEU 203 N -2.11 3.10 -0.13 -3.48 4.77 -0.22 -4.49 117.00 114.43 1w3i n LEU 203 Ca -0.08 -5.42 0.05 0.00 -0.03 0.00 0.00 56.01 50.53 1w3i n LEU 203 Cb 0.52 -0.09 0.36 0.00 -2.33 0.00 0.00 43.42 41.87 1w3i n LEU 203 CO 0.27 2.32 1.21 1.55 -1.33 0.00 0.00 177.39 181.40 1w3i h PRO 204 N 3.07 0.72 -0.19 3.23 0.13 -1.68 -1.83 132.00 135.44 1w3i h PRO 204 Ca 0.12 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 1w3i h PRO 204 Cb 0.68 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 1w3i h PRO 204 CO 0.70 0.48 -0.17 1.05 -0.23 0.00 0.00 178.00 179.82 1w3i h GLU 205 N 0.74 0.32 0.01 0.86 9.09 -1.89 -1.43 114.58 122.28 1w3i h GLU 205 Ca 0.26 -0.09 -0.00 0.00 0.05 0.00 0.00 59.36 59.58 1w3i h GLU 205 Cb 0.10 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1w3i h GLU 205 CO -0.07 0.49 -0.00 0.28 0.05 0.00 0.00 179.01 179.75 1w3i h VAL 206 N 0.29 1.26 -0.78 -1.06 2.07 -1.71 -2.36 116.25 113.96 1w3i h VAL 206 Ca 0.05 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1w3i h VAL 206 Cb 0.48 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 1w3i h VAL 206 CO 0.03 0.21 0.42 0.71 0.02 0.00 0.00 177.57 178.95 1w3i h THR 207 N -0.35 1.24 -0.24 2.57 1.35 -1.14 -0.30 112.91 116.04 1w3i h THR 207 Ca -0.00 -0.61 -0.11 0.00 -0.55 0.00 0.00 66.41 65.14 1w3i h THR 207 Cb 0.35 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 66.97 1w3i h THR 207 CO 0.00 0.27 -0.33 0.58 -0.25 0.00 0.00 175.52 175.79 1w3i h VAL 208 N 1.09 1.29 -0.25 6.82 2.07 -1.32 -2.68 116.25 123.26 1w3i h VAL 208 Ca 0.27 -1.42 -0.20 0.00 0.82 0.00 0.00 66.70 66.17 1w3i h VAL 208 Cb 0.05 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1w3i h VAL 208 CO -0.04 0.45 -0.62 0.74 0.02 0.00 0.00 177.57 178.12 1w3i h THR 209 N 0.43 1.27 -0.58 2.57 2.02 -0.86 -0.57 112.91 117.19 1w3i h THR 209 Ca 0.05 -1.80 0.08 0.00 0.77 0.00 0.00 66.41 65.51 1w3i h THR 209 Cb 0.78 1.73 -0.07 0.00 -1.74 0.00 0.00 68.15 68.85 1w3i h THR 209 CO 0.06 0.58 0.22 0.40 0.37 0.00 0.00 175.52 177.15 1w3i h ILE 210 N 0.64 0.80 -0.46 3.11 2.04 -1.00 -0.46 117.51 122.17 1w3i h ILE 210 Ca -0.01 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1w3i h ILE 210 Cb 1.24 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1w3i h ILE 210 CO 0.13 0.07 0.18 0.50 0.00 0.00 0.00 178.15 179.04 1w3i h LYS 211 N 0.40 0.70 -0.34 2.37 3.64 -1.22 -1.08 116.57 121.04 1w3i h LYS 211 Ca 0.29 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1w3i h LYS 211 Cb 0.33 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1w3i h LYS 211 CO -0.28 0.63 0.14 -0.22 -2.27 0.00 0.00 179.45 177.45 1w3i h LYS 212 N 0.61 0.50 -0.65 1.90 3.64 -0.59 -1.26 116.57 120.72 1w3i h LYS 212 Ca 0.15 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1w3i h LYS 212 Cb 0.20 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1w3i h LYS 212 CO -0.01 0.49 0.27 -0.07 -2.27 0.00 0.00 179.45 177.87 1w3i h LEU 213 N 0.40 0.88 -0.82 5.20 3.38 -0.96 -1.55 115.31 121.83 1w3i h LEU 213 Ca 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1w3i h LEU 213 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1w3i h LEU 213 CO -0.01 0.80 0.25 0.00 0.09 0.00 0.00 178.44 179.58 1w3i h ALA 214 N 1.12 1.05 0.00 1.53 0.00 -0.92 -1.04 119.26 121.00 1w3i h ALA 214 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1w3i h ALA 214 Cb 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1w3i h ALA 214 CO -0.02 0.65 0.00 0.52 0.00 0.00 0.00 179.25 180.40 1w3i h MET 215 N 1.09 0.00 -0.11 0.00 2.86 -0.80 -0.43 114.93 117.53 1w3i h MET 215 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1w3i h MET 215 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1w3i h MET 215 CO -0.01 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.35 1w3i n GLU 216 N -2.82 1.52 -1.78 1.72 1.02 -0.62 -4.93 120.64 114.75 1w3i n GLU 216 Ca 0.02 -0.79 -0.19 0.00 -0.02 0.00 0.00 57.16 56.19 1w3i n GLU 216 Cb 0.35 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 1w3i n GLU 216 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1w3i n ARG 217 N 0.01 -1.35 -2.46 3.49 5.12 -0.17 -4.91 116.66 116.38 1w3i n ARG 217 Ca 0.16 1.08 -0.43 0.00 -1.93 0.00 0.00 57.85 56.73 1w3i n ARG 217 Cb 0.26 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.12 1w3i n ARG 217 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1w3i n LYS 218 N -2.56 3.64 -0.01 5.56 5.02 -0.43 -4.80 118.16 124.59 1w3i n LYS 218 Ca -0.20 -3.64 -0.07 0.00 -2.02 0.00 0.00 58.31 52.39 1w3i n LYS 218 Cb 0.63 -2.91 0.11 0.00 -0.02 0.00 0.00 35.03 32.84 1w3i n LYS 218 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1w3i h ILE 219 N 3.84 1.30 -0.61 -0.18 6.09 -1.88 0.33 117.51 126.39 1w3i h ILE 219 Ca 0.37 -1.54 -0.06 0.00 -1.37 0.00 0.00 64.86 62.26 1w3i h ILE 219 Cb 0.66 1.53 -0.03 0.00 0.47 0.00 0.00 36.82 39.46 1w3i h ILE 219 CO 1.55 0.49 0.17 0.44 -3.07 0.00 0.00 178.15 177.73 1w3i h ASP 220 N 0.46 0.92 -0.36 2.19 3.32 -1.96 0.21 116.42 121.21 1w3i h ASP 220 Ca 0.04 -0.22 -0.17 0.00 0.02 0.00 0.00 57.03 56.70 1w3i h ASP 220 Cb 0.88 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1w3i h ASP 220 CO 0.08 0.90 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.73 1w3i h GLU 221 N 0.89 0.93 -0.56 3.56 5.08 -1.90 -1.11 114.58 121.46 1w3i h GLU 221 Ca 0.19 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1w3i h GLU 221 Cb 0.33 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1w3i h GLU 221 CO -0.00 1.17 0.36 0.00 -1.00 0.00 0.00 179.01 179.54 1w3i h ALA 222 N 0.74 0.71 -0.54 3.43 0.00 -0.70 -2.71 119.26 120.19 1w3i h ALA 222 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1w3i h ALA 222 Cb 1.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1w3i h ALA 222 CO 0.10 0.17 0.03 -0.07 0.00 0.00 0.00 179.25 179.48 1w3i h LEU 223 N 0.76 0.86 -0.71 0.00 3.38 -0.44 0.16 115.31 119.31 1w3i h LEU 223 Ca 0.20 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1w3i h LEU 223 Cb -0.06 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 1w3i h LEU 223 CO -0.04 0.91 0.40 0.11 0.09 0.00 0.00 178.44 179.90 1w3i h LYS 224 N 0.84 0.70 -0.14 1.13 1.57 -1.07 0.18 116.57 119.77 1w3i h LYS 224 Ca 0.16 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.76 1w3i h LYS 224 Cb 0.46 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1w3i h LYS 224 CO 0.02 0.46 -0.47 1.25 -0.57 0.00 0.00 179.45 180.14 1w3i h LEU 225 N 0.72 0.67 -0.71 2.94 5.85 -1.27 -2.65 115.31 120.86 1w3i h LEU 225 Ca 0.32 -0.60 0.11 0.00 0.84 0.00 0.00 57.88 58.55 1w3i h LEU 225 Cb 0.23 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 1w3i h LEU 225 CO -0.20 1.15 0.31 -0.61 -0.34 0.00 0.00 178.44 178.76 1w3i h GLN 226 N 0.22 0.50 -0.34 1.25 5.75 -0.28 -1.59 115.11 120.61 1w3i h GLN 226 Ca -0.02 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 1w3i h GLN 226 Cb 1.10 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1w3i h GLN 226 CO 0.10 0.33 -0.15 0.74 -2.65 0.00 0.00 178.83 177.20 1w3i h PHE 227 N 0.51 0.67 -0.48 3.99 0.05 -0.58 0.79 116.94 121.90 1w3i h PHE 227 Ca 0.36 -0.12 -0.01 0.00 3.82 0.00 0.00 57.97 62.02 1w3i h PHE 227 Cb 0.46 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.21 1w3i h PHE 227 CO -0.14 0.73 0.25 -0.07 -0.18 0.00 0.00 178.31 178.90 1w3i h LEU 228 N 0.56 0.61 -0.83 1.54 3.38 -1.10 -2.32 115.31 117.14 1w3i h LEU 228 Ca 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1w3i h LEU 228 Cb 0.58 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1w3i h LEU 228 CO 0.04 0.54 0.39 -0.74 0.09 0.00 0.00 178.44 178.76 1w3i h HIS 229 N 0.63 1.21 -0.85 1.13 2.76 -0.91 -1.79 115.15 117.33 1w3i h HIS 229 Ca 0.17 -0.06 0.13 0.00 -2.20 0.00 0.00 60.37 58.40 1w3i h HIS 229 Cb 0.08 -0.37 -0.09 0.00 1.55 0.00 0.00 27.41 28.58 1w3i h HIS 229 CO -0.01 0.88 0.46 -0.44 -1.30 0.00 0.00 177.93 177.51 1w3i h ASP 230 N 1.19 0.59 0.21 3.26 3.32 -0.61 -0.66 116.42 123.72 1w3i h ASP 230 Ca 0.29 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 1w3i h ASP 230 Cb 0.13 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1w3i h ASP 230 CO -0.03 0.28 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.18 1w3i h GLU 231 N 0.69 0.08 -0.12 3.56 5.08 -0.77 0.01 114.58 123.11 1w3i h GLU 231 Ca 0.44 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.59 1w3i h GLU 231 Cb 0.56 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1w3i h GLU 231 CO -0.32 0.33 -0.70 0.28 -1.00 0.00 0.00 179.01 177.60 1w3i h VAL 232 N 0.07 1.31 -0.74 3.13 2.07 -0.89 -0.73 116.25 120.48 1w3i h VAL 232 Ca 0.01 -1.95 0.01 0.00 0.82 0.00 0.00 66.70 65.59 1w3i h VAL 232 Cb 0.49 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 1w3i h VAL 232 CO 0.04 0.60 0.49 0.40 0.02 0.00 0.00 177.57 179.12 1w3i h ILE 233 N 0.35 1.18 -0.79 4.57 2.04 -0.96 -0.70 117.51 123.20 1w3i h ILE 233 Ca -0.05 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1w3i h ILE 233 Cb 1.34 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1w3i h ILE 233 CO 0.14 0.18 0.43 -0.33 0.00 0.00 0.00 178.15 178.57 1w3i h GLU 234 N 0.99 1.11 -0.54 2.37 5.08 -0.89 -2.48 114.58 120.23 1w3i h GLU 234 Ca 0.27 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1w3i h GLU 234 Cb -0.10 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 1w3i h GLU 234 CO -0.06 0.83 0.09 0.00 -1.00 0.00 0.00 179.01 178.87 1w3i h ALA 235 N 1.23 1.16 0.00 3.43 0.00 -0.61 -2.25 119.26 122.22 1w3i h ALA 235 Ca 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1w3i h ALA 235 Cb 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1w3i h ALA 235 CO -0.04 0.56 -0.12 0.66 0.00 0.00 0.00 179.25 180.31 1w3i h SER 236 N 0.80 0.00 1.31 0.00 4.64 -0.71 -2.06 113.55 117.54 1w3i h SER 236 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1w3i h SER 236 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1w3i h SER 236 CO 0.01 0.12 -0.02 0.54 -0.87 0.00 0.00 176.83 176.61 1w3i n ARG 237 N -3.67 0.18 -0.07 4.77 1.74 -0.85 -2.57 116.66 116.19 1w3i n ARG 237 Ca -0.02 0.15 -0.07 0.00 -0.77 0.00 0.00 57.85 57.14 1w3i n ARG 237 Cb 0.23 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 29.96 1w3i n ARG 237 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1w3i h ILE 238 N 0.00 0.81 -0.02 0.55 2.04 -1.37 -3.03 117.51 116.49 1w3i h ILE 238 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1w3i h ILE 238 Cb 0.66 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1w3i h ILE 238 CO 0.00 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.66 1w3i n PHE 239 N -5.15 0.00 0.00 1.37 3.01 -1.26 -5.04 117.46 110.39 1w3i n PHE 239 Ca -0.00 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1w3i n PHE 239 Cb 0.14 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1w3i n PHE 239 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1w3i n GLY 240 N 0.81 2.86 0.27 1.37 0.00 -1.15 -4.85 105.19 104.50 1w3i n GLY 240 Ca 0.08 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1w3i n GLY 240 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1w3i h SER 241 N 0.00 0.91 -0.22 1.61 4.64 -1.74 -0.18 113.55 118.57 1w3i h SER 241 Ca 0.00 -0.34 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 1w3i h SER 241 Cb 0.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 1w3i h SER 241 CO 0.00 1.04 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.91 1w3i h LEU 242 N 0.77 0.49 -0.09 5.97 3.38 -1.95 0.14 115.31 124.03 1w3i h LEU 242 Ca 0.13 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1w3i h LEU 242 Cb 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1w3i h LEU 242 CO 0.04 0.57 -0.36 0.28 0.09 0.00 0.00 178.44 179.06 1w3i h SER 243 N 0.50 0.47 0.19 -0.43 0.02 -1.82 -3.32 113.55 109.16 1w3i h SER 243 Ca 0.11 -0.63 -0.03 0.00 -0.84 0.00 0.00 61.79 60.40 1w3i h SER 243 Cb 0.35 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1w3i h SER 243 CO 0.01 1.03 -0.13 0.28 -1.14 0.00 0.00 176.83 176.88 1w3i h SER 244 N -0.05 0.00 -0.08 3.07 0.02 -0.34 -2.59 113.55 113.57 1w3i h SER 244 Ca -0.02 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1w3i h SER 244 Cb 1.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 1w3i h SER 244 CO 0.08 0.13 0.06 0.78 -1.14 0.00 0.00 176.83 176.74 1w3i h ASN 245 N 0.00 0.00 -0.02 3.07 2.35 -0.85 -0.54 115.58 119.60 1w3i h ASN 245 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1w3i h ASN 245 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1w3i h ASN 245 CO 0.02 0.00 -0.01 1.88 -1.65 0.00 0.00 177.43 177.67 1w3i h TYR 246 N 0.00 0.04 -0.73 1.19 -1.99 -1.65 -1.81 116.97 112.02 1w3i h TYR 246 Ca 0.04 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1w3i h TYR 246 Cb 0.16 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 1w3i h TYR 246 CO 0.00 0.40 0.48 0.28 -0.00 0.00 0.00 178.16 179.32 1w3i h VAL 247 N -0.33 1.19 -0.13 -2.88 2.07 -1.42 -2.57 116.25 112.18 1w3i h VAL 247 Ca 0.00 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1w3i h VAL 247 Cb 0.39 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1w3i h VAL 247 CO 0.00 0.18 -0.45 -0.07 0.02 0.00 0.00 177.57 177.25 1w3i h LEU 248 N 0.99 0.33 -0.39 2.57 3.38 -1.10 -0.52 115.31 120.56 1w3i h LEU 248 Ca 0.27 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1w3i h LEU 248 Cb -0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1w3i h LEU 248 CO -0.06 0.74 -0.07 0.74 0.09 0.00 0.00 178.44 179.88 1w3i h THR 249 N 0.25 1.27 -0.54 0.22 2.02 -1.13 0.33 112.91 115.32 1w3i h THR 249 Ca 0.02 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 1w3i h THR 249 Cb 0.90 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1w3i h THR 249 CO 0.07 0.38 0.16 0.50 0.37 0.00 0.00 175.52 177.01 1w3i h LYS 250 N 0.56 0.85 0.02 6.66 3.64 -1.25 0.64 116.57 127.69 1w3i h LYS 250 Ca 0.10 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1w3i h LYS 250 Cb 0.58 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1w3i h LYS 250 CO 0.03 0.78 -0.01 -0.92 -2.27 0.00 0.00 179.45 177.06 1w3i h TYR 251 N 0.75 -0.02 0.00 1.91 3.20 -0.92 -1.80 116.97 120.09 1w3i h TYR 251 Ca 0.17 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.84 1w3i h TYR 251 Cb 0.29 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1w3i h TYR 251 CO 0.02 0.19 -1.17 0.74 -1.64 0.00 0.00 178.16 176.30 1w3i h PHE 252 N -0.24 0.00 0.00 -3.82 -1.00 -0.87 -3.38 116.94 107.63 1w3i h PHE 252 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1w3i h PHE 252 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1w3i h PHE 252 CO -0.00 0.80 -1.67 1.04 -1.61 0.00 0.00 178.31 176.86 1w3i n GLN 253 N -3.14 0.56 -0.72 1.51 1.13 0.21 -5.03 117.38 111.91 1w3i n GLN 253 Ca -0.06 -0.14 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 1w3i n GLN 253 Cb 0.90 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.88 1w3i n GLN 253 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1w3i n GLY 254 N 1.58 0.64 3.26 1.08 0.00 -0.68 -5.02 105.19 106.06 1w3i n GLY 254 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1w3i n GLY 254 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1w3i s TYR 255 N -2.01 1.34 0.21 1.61 -0.85 -1.26 -5.05 117.35 111.34 1w3i s TYR 255 Ca 0.00 -0.70 0.06 0.00 -0.52 0.00 0.00 57.07 55.91 1w3i s TYR 255 Cb 0.00 -0.67 -0.04 0.00 0.38 0.00 0.00 41.96 41.63 1w3i s TYR 255 CO 0.00 0.13 0.16 0.16 -1.52 0.00 0.00 175.55 174.48 1w3i s ASP 256 N -3.06 5.49 -0.25 -0.18 -4.77 -1.26 -3.57 116.67 109.08 1w3i s ASP 256 Ca 0.16 -0.21 0.11 0.00 -3.30 0.00 0.00 52.55 49.32 1w3i s ASP 256 Cb 0.01 -1.41 0.48 0.00 -1.09 0.00 0.00 42.92 40.91 1w3i s ASP 256 CO 0.02 0.01 1.40 0.18 0.70 0.00 0.00 175.17 177.48 1w3i n LEU 257 N -0.80 3.74 0.00 2.11 4.77 -1.26 -4.95 117.00 120.61 1w3i n LEU 257 Ca -0.08 -3.59 0.00 0.00 -0.03 0.00 0.00 56.01 52.31 1w3i n LEU 257 Cb 0.56 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1w3i n LEU 257 CO 0.43 1.12 0.00 0.61 -1.33 0.00 0.00 177.39 178.22 1w3i n GLY 258 N -1.04 2.57 3.42 -0.72 0.00 -1.26 -3.78 105.19 104.38 1w3i n GLY 258 Ca 0.28 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1w3i n GLY 258 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w3i s TYR 259 N 0.00 2.35 1.12 1.61 1.51 -0.24 -4.86 117.35 118.84 1w3i s TYR 259 Ca 0.00 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 1w3i s TYR 259 Cb 0.00 -1.22 0.26 0.00 -0.11 0.00 0.00 41.96 40.89 1w3i s TYR 259 CO 0.00 0.42 1.20 -1.25 -1.11 0.00 0.00 175.55 174.80 1w3i s PRO 260 N -2.35 -0.59 -0.30 -1.71 0.04 -1.26 -1.16 135.00 127.67 1w3i s PRO 260 Ca 0.18 -0.23 -0.10 0.00 0.04 0.00 0.00 61.00 60.88 1w3i s PRO 260 Cb -0.09 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.74 1w3i s PRO 260 CO 0.08 -3.26 0.17 0.50 0.04 0.00 0.00 177.00 174.53 1w3i s ARG 261 N -5.62 3.51 0.27 4.56 3.52 -1.24 -4.82 118.95 119.13 1w3i s ARG 261 Ca 0.72 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 1w3i s ARG 261 Cb -0.07 -3.60 -0.13 0.00 -1.56 0.00 0.00 34.95 29.59 1w3i s ARG 261 CO 0.55 -0.35 1.32 -2.30 -0.81 0.00 0.00 175.30 173.71 1w3i n PRO 262 N 5.01 1.96 -0.00 5.12 -0.02 -1.26 -1.24 135.00 144.57 1w3i n PRO 262 Ca -0.14 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1w3i n PRO 262 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1w3i n PRO 262 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1w3i n PRO 263 N 1.45 1.01 -2.82 0.52 -0.04 -1.26 -4.98 135.00 128.89 1w3i n PRO 263 Ca 0.09 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.11 1w3i n PRO 263 Cb 0.33 -1.11 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 1w3i n PRO 263 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1w3i s ILE 264 N -1.78 4.48 0.32 0.52 -1.09 -0.37 -5.01 121.20 118.27 1w3i s ILE 264 Ca 0.00 -1.29 -0.21 0.00 -2.23 0.00 0.00 60.65 56.92 1w3i s ILE 264 Cb 0.00 -4.86 -0.10 0.00 -1.58 0.00 0.00 42.46 35.93 1w3i s ILE 264 CO 0.00 -1.63 0.85 -0.36 -1.23 0.00 0.00 174.94 172.57 1w3i s PHE 265 N 3.41 3.53 0.59 3.97 0.40 -1.26 -3.68 117.98 124.93 1w3i s PHE 265 Ca 0.36 1.54 -0.19 0.00 -0.60 0.00 0.00 56.93 58.04 1w3i s PHE 265 Cb -0.04 -2.76 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 1w3i s PHE 265 CO -0.09 0.14 1.21 -1.25 0.70 0.00 0.00 175.22 175.93 1w3i s PRO 266 N -2.48 3.01 0.50 0.24 0.04 -1.26 -4.73 135.00 130.32 1w3i s PRO 266 Ca 0.52 1.83 -0.22 0.00 0.04 0.00 0.00 61.00 63.17 1w3i s PRO 266 Cb -0.14 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1w3i s PRO 266 CO 0.19 -1.17 1.25 -0.51 0.04 0.00 0.00 177.00 176.80 1w3i s LEU 267 N -4.01 3.93 0.85 -3.56 1.43 -1.26 -5.03 118.68 111.02 1w3i s LEU 267 Ca 0.77 2.51 -0.08 0.00 -1.03 0.00 0.00 54.13 56.30 1w3i s LEU 267 Cb -0.31 -4.27 0.17 0.00 0.03 0.00 0.00 46.19 41.81 1w3i s LEU 267 CO 0.33 -1.24 1.16 1.51 0.23 0.00 0.00 176.35 178.35 1w3i s ASP 268 N -1.19 3.68 0.24 2.29 1.47 -1.26 -4.85 116.67 117.06 1w3i s ASP 268 Ca 0.68 -0.09 -0.05 0.00 1.18 0.00 0.00 52.55 54.26 1w3i s ASP 268 Cb -0.34 -0.09 0.26 0.00 -0.34 0.00 0.00 42.92 42.40 1w3i s ASP 268 CO 0.40 -2.33 1.82 0.44 0.68 0.00 0.00 175.17 176.18 1w3i h ASP 269 N -1.10 1.01 -0.50 2.11 3.32 -1.99 -1.45 116.42 117.82 1w3i h ASP 269 Ca -0.40 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 1w3i h ASP 269 Cb 1.25 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1w3i h ASP 269 CO 0.38 0.89 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.67 1w3i h GLU 270 N 1.08 0.91 -0.52 3.56 4.57 -1.99 -0.54 114.58 121.67 1w3i h GLU 270 Ca 0.25 -0.31 -0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1w3i h GLU 270 Cb 0.18 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1w3i h GLU 270 CO -0.02 0.95 0.12 0.93 -1.18 0.00 0.00 179.01 179.80 1w3i h GLU 271 N 0.77 0.83 -0.36 1.92 5.08 -1.85 -0.26 114.58 120.71 1w3i h GLU 271 Ca 0.14 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1w3i h GLU 271 Cb 0.57 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1w3i h GLU 271 CO 0.03 0.80 0.21 1.49 -1.00 0.00 0.00 179.01 180.54 1w3i h GLU 272 N 0.72 0.50 -0.73 2.33 4.81 -1.20 0.20 114.58 121.20 1w3i h GLU 272 Ca 0.16 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1w3i h GLU 272 Cb 0.35 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 1w3i h GLU 272 CO 0.00 0.39 0.38 0.00 -0.73 0.00 0.00 179.01 179.05 1w3i h ARG 273 N 0.47 0.61 -0.36 1.92 3.08 -0.92 -1.37 114.38 117.81 1w3i h ARG 273 Ca 0.13 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 1w3i h ARG 273 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1w3i h ARG 273 CO -0.02 0.41 -0.37 1.96 -1.07 0.00 0.00 179.97 180.87 1w3i h GLN 274 N 0.63 0.86 -0.39 0.04 4.20 -0.39 -1.44 115.11 118.62 1w3i h GLN 274 Ca 0.36 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1w3i h GLN 274 Cb 0.38 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1w3i h GLN 274 CO -0.27 1.08 -0.02 1.25 -0.67 0.00 0.00 178.83 180.20 1w3i h LEU 275 N 0.71 0.69 -0.78 1.46 5.85 -0.45 -2.03 115.31 120.76 1w3i h LEU 275 Ca 0.06 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1w3i h LEU 275 Cb 0.94 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1w3i h LEU 275 CO 0.09 0.85 0.47 0.40 -0.34 0.00 0.00 178.44 179.91 1w3i h ILE 276 N 0.52 1.22 -0.77 4.05 2.04 -1.19 -1.02 117.51 122.36 1w3i h ILE 276 Ca 0.11 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.59 1w3i h ILE 276 Cb 0.50 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1w3i h ILE 276 CO 0.02 0.23 0.51 0.50 0.00 0.00 0.00 178.15 179.41 1w3i h LYS 277 N 1.07 0.67 0.00 2.37 3.64 -0.98 -0.22 116.57 123.11 1w3i h LYS 277 Ca 0.28 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1w3i h LYS 277 Cb -0.05 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1w3i h LYS 277 CO -0.05 0.45 -0.21 0.87 -2.27 0.00 0.00 179.45 178.23 1w3i h LYS 278 N 0.69 0.00 -0.00 1.90 1.79 -0.47 -3.32 116.57 117.15 1w3i h LYS 278 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1w3i h LYS 278 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1w3i h LYS 278 CO -0.13 0.21 -0.22 1.33 -1.08 0.00 0.00 179.45 179.56 1w3i n VAL 279 N -3.33 0.00 -0.23 0.50 0.24 -0.70 -4.63 118.33 110.18 1w3i n VAL 279 Ca 0.01 -0.39 0.03 0.00 -2.04 0.00 0.00 64.34 61.95 1w3i n VAL 279 Cb 0.45 1.08 0.15 0.00 -1.47 0.00 0.00 33.84 34.04 1w3i n VAL 279 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1w3i h GLU 280 N 0.72 0.31 -0.39 7.34 5.08 -1.18 -0.61 114.58 125.85 1w3i h GLU 280 Ca 0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1w3i h GLU 280 Cb 0.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1w3i h GLU 280 CO 0.00 0.20 -0.12 0.78 -1.00 0.00 0.00 179.01 178.88 1w3i h GLY 281 N 0.32 0.75 1.01 -3.84 0.00 -1.82 -1.74 103.07 97.75 1w3i h GLY 281 Ca 0.37 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1w3i h GLY 281 CO -0.43 0.51 -0.33 -2.22 0.00 0.00 0.00 176.54 174.07 1w3i h ILE 282 N 0.63 1.30 -0.51 2.60 2.04 -1.63 -2.14 117.51 119.79 1w3i h ILE 282 Ca 0.11 -1.50 0.06 0.00 1.00 0.00 0.00 64.86 64.53 1w3i h ILE 282 Cb 0.56 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.15 1w3i h ILE 282 CO 0.04 0.49 0.21 -0.09 0.00 0.00 0.00 178.15 178.80 1w3i h ARG 283 N 0.51 0.40 -1.00 2.37 2.43 -0.96 0.32 114.38 118.45 1w3i h ARG 283 Ca 0.04 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1w3i h ARG 283 Cb 0.91 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 1w3i h ARG 283 CO 0.08 0.27 0.66 0.00 -1.51 0.00 0.00 179.97 179.47 1w3i h ALA 284 N 1.32 1.29 -0.55 2.80 0.00 -1.01 0.07 119.26 123.17 1w3i h ALA 284 Ca 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1w3i h ALA 284 Cb 0.22 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1w3i h ALA 284 CO -0.21 0.63 0.06 0.87 0.00 0.00 0.00 179.25 180.60 1w3i h LYS 285 N 1.34 0.89 -0.15 0.00 1.57 -0.72 -1.68 116.57 117.82 1w3i h LYS 285 Ca 0.38 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1w3i h LYS 285 Cb -0.12 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1w3i h LYS 285 CO -0.09 0.85 -0.45 -0.07 -0.57 0.00 0.00 179.45 179.12 1w3i h LEU 286 N 0.84 0.39 -0.42 2.94 3.38 0.16 -0.37 115.31 122.24 1w3i h LEU 286 Ca 0.17 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1w3i h LEU 286 Cb 0.42 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1w3i h LEU 286 CO 0.01 0.79 0.07 0.58 0.09 0.00 0.00 178.44 179.99 1w3i h VAL 287 N 0.30 1.24 -0.35 1.22 2.07 -0.84 -0.52 116.25 119.37 1w3i h VAL 287 Ca 0.02 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1w3i h VAL 287 Cb 0.91 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1w3i h VAL 287 CO 0.08 0.30 0.03 -0.08 0.02 0.00 0.00 177.57 177.92 1w3i h GLU 288 N 0.55 0.53 0.00 1.57 4.57 -1.03 -0.48 114.58 120.29 1w3i h GLU 288 Ca 0.13 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1w3i h GLU 288 Cb 0.36 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1w3i h GLU 288 CO 0.01 0.53 0.00 1.28 -1.18 0.00 0.00 179.01 179.65 1w3i n LEU 289 N -4.30 0.00 -0.92 1.64 4.77 -0.17 -4.88 117.00 113.13 1w3i n LEU 289 Ca 0.02 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1w3i n LEU 289 Cb 0.22 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1w3i n LEU 289 CO 0.38 -0.09 -0.11 0.29 -1.33 0.00 0.00 177.39 176.54 1w3i n LYS 290 N -1.33 -0.72 0.02 3.23 5.02 -0.19 -4.91 118.16 119.28 1w3i n LYS 290 Ca 0.09 0.67 -0.19 0.00 -2.02 0.00 0.00 58.31 56.86 1w3i n LYS 290 Cb 0.19 -4.64 -0.14 0.00 -0.02 0.00 0.00 35.03 30.41 1w3i n LYS 290 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1w3i h ILE 291 N 0.00 0.79 -3.42 -0.18 2.04 -1.30 -3.47 117.51 111.97 1w3i h ILE 291 Ca -0.21 -2.49 -0.65 0.00 1.00 0.00 0.00 64.86 62.50 1w3i h ILE 291 Cb 0.89 2.58 -0.15 0.00 -0.74 0.00 0.00 36.82 39.40 1w3i h ILE 291 CO 0.28 0.82 -0.73 -0.76 0.00 0.00 0.00 178.15 177.77 1w3i s LEU 292 N -6.95 3.05 0.13 1.44 1.43 -1.03 -4.93 118.68 111.83 1w3i s LEU 292 Ca -0.17 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 1w3i s LEU 292 Cb 0.07 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.39 1w3i s LEU 292 CO 0.81 0.16 0.68 -0.54 0.23 0.00 0.00 176.35 177.68 1w3i s LYS 293 N -2.37 4.36 0.00 1.70 -0.14 -1.26 -4.22 119.74 117.82 1w3i s LYS 293 Ca 0.22 0.93 0.00 0.00 -1.36 0.00 0.00 55.97 55.77 1w3i s LYS 293 Cb -0.11 -3.20 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 1w3i s LYS 293 CO 0.14 0.58 0.26 -1.91 -0.76 0.00 0.00 175.35 173.66