#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 1.83 -0.20 0.54 2.02 -0.03 -4.91 118.70 117.95 1w3i s GLU 3 Ca 0.00 -1.42 -0.05 0.00 0.02 0.00 0.00 54.97 53.52 1w3i s GLU 3 Cb 0.00 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1w3i s GLU 3 CO 0.00 0.41 0.01 0.42 0.02 0.00 0.00 175.26 176.12 1w3i s ILE 4 N -1.80 4.00 -0.08 -1.63 -1.09 -1.26 -1.71 121.20 117.63 1w3i s ILE 4 Ca 0.24 -0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.41 1w3i s ILE 4 Cb -0.08 -2.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.98 1w3i s ILE 4 CO 0.13 0.42 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.41 1w3i s ILE 5 N 1.04 1.90 -0.23 2.92 1.01 -0.26 -1.25 121.20 126.34 1w3i s ILE 5 Ca 0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 1w3i s ILE 5 Cb -0.14 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1w3i s ILE 5 CO 0.02 0.53 0.27 -0.89 0.00 0.00 0.00 174.94 174.86 1w3i s THR 6 N 0.24 5.28 -0.79 2.92 2.01 -0.55 -1.03 115.64 123.72 1w3i s THR 6 Ca -0.14 0.41 -0.25 0.00 0.31 0.00 0.00 61.69 62.03 1w3i s THR 6 Cb -0.16 -3.60 0.05 0.00 0.01 0.00 0.00 72.50 68.79 1w3i s THR 6 CO 0.07 0.29 1.25 -2.16 -0.69 0.00 0.00 174.62 173.38 1w3i s PRO 7 N 1.24 3.28 0.26 4.92 0.04 -1.26 -0.25 135.00 143.23 1w3i s PRO 7 Ca 0.13 -0.61 -0.29 0.00 0.04 0.00 0.00 61.00 60.26 1w3i s PRO 7 Cb -0.14 -4.47 -0.09 0.00 0.04 0.00 0.00 34.50 29.83 1w3i s PRO 7 CO 0.06 -2.08 1.21 -1.50 0.04 0.00 0.00 177.00 174.73 1w3i s ILE 8 N 5.12 3.26 0.38 0.56 2.07 -0.58 -4.45 121.20 127.57 1w3i s ILE 8 Ca 0.35 1.18 -0.27 0.00 -1.41 0.00 0.00 60.65 60.49 1w3i s ILE 8 Cb -0.08 -3.75 -0.09 0.00 0.13 0.00 0.00 42.46 38.67 1w3i s ILE 8 CO 0.08 0.24 1.32 -0.63 -1.91 0.00 0.00 174.94 174.04 1w3i s ILE 9 N -0.69 2.60 -0.35 2.00 1.01 -1.26 -3.29 121.20 121.21 1w3i s ILE 9 Ca 0.50 0.56 -0.15 0.00 0.00 0.00 0.00 60.65 61.55 1w3i s ILE 9 Cb -0.35 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1w3i s ILE 9 CO 0.43 0.10 0.37 -0.89 0.00 0.00 0.00 174.94 174.95 1w3i s THR 10 N -1.22 5.16 0.08 2.92 2.01 -1.26 -4.93 115.64 118.42 1w3i s THR 10 Ca 0.54 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 1w3i s THR 10 Cb -0.39 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1w3i s THR 10 CO 0.51 -0.13 0.96 -2.16 -0.69 0.00 0.00 174.62 173.11 1w3i s PRO 11 N 2.02 4.66 0.08 4.92 0.04 -1.26 -4.82 135.00 140.64 1w3i s PRO 11 Ca 0.12 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.63 1w3i s PRO 11 Cb -0.17 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1w3i s PRO 11 CO 0.12 0.16 0.00 -0.06 0.04 0.00 0.00 177.00 177.26 1w3i s PHE 12 N 0.21 3.00 0.90 0.56 0.40 -0.57 -0.52 117.98 121.95 1w3i s PHE 12 Ca 0.48 -0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.66 1w3i s PHE 12 Cb -0.23 -1.55 0.17 0.00 0.51 0.00 0.00 43.02 41.92 1w3i s PHE 12 CO 0.29 0.48 1.25 0.95 0.70 0.00 0.00 175.22 178.89 1w3i s THR 13 N -1.30 2.03 0.51 0.64 -4.23 0.15 -1.70 115.64 111.73 1w3i s THR 13 Ca 0.25 -0.08 0.26 0.00 -1.18 0.00 0.00 61.69 60.94 1w3i s THR 13 Cb -0.12 -2.95 0.30 0.00 1.34 0.00 0.00 72.50 71.08 1w3i s THR 13 CO 0.18 0.00 2.15 0.50 -0.54 0.00 0.00 174.62 176.91 1w3i h LYS 14 N -1.37 0.00 -0.76 3.99 3.64 -1.98 -1.25 116.57 118.84 1w3i h LYS 14 Ca -0.44 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.83 1w3i h LYS 14 Cb 1.26 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 1w3i h LYS 14 CO 0.44 0.06 0.14 -0.40 -2.27 0.00 0.00 179.45 177.42 1w3i n ASP 15 N -3.91 4.44 -2.75 4.20 5.68 -1.26 -4.92 116.55 118.03 1w3i n ASP 15 Ca -0.03 -2.88 -0.19 0.00 -0.50 0.00 0.00 54.79 51.19 1w3i n ASP 15 Cb 0.15 -0.68 0.04 0.00 -1.14 0.00 0.00 41.12 39.50 1w3i n ASP 15 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1w3i n ASN 16 N 0.14 -5.51 -4.63 -1.12 5.15 -0.47 -5.03 115.26 103.79 1w3i n ASN 16 Ca 0.29 -0.32 -0.23 0.00 -0.60 0.00 0.00 54.58 53.72 1w3i n ASN 16 Cb 1.12 -4.27 -0.08 0.00 -0.53 0.00 0.00 39.78 36.03 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 -5.72 2.19 0.13 1.20 0.52 -1.26 -4.88 118.95 111.13 1w3i s ARG 17 Ca 0.34 -1.54 -0.31 0.00 -0.52 0.00 0.00 55.73 53.70 1w3i s ARG 17 Cb -0.15 -2.07 -0.09 0.00 0.52 0.00 0.00 34.95 33.16 1w3i s ARG 17 CO 0.42 0.29 1.43 0.42 0.02 0.00 0.00 175.30 177.88 1w3i s ILE 18 N -2.40 3.11 -0.94 1.52 1.01 -1.26 0.30 121.20 122.54 1w3i s ILE 18 Ca 0.33 0.80 -0.19 0.00 0.00 0.00 0.00 60.65 61.59 1w3i s ILE 18 Cb -0.05 -3.51 0.13 0.00 0.01 0.00 0.00 42.46 39.04 1w3i s ILE 18 CO 0.20 0.07 1.13 -0.62 0.00 0.00 0.00 174.94 175.71 1w3i s ASP 19 N 1.06 6.64 0.33 3.58 -1.08 0.32 -4.74 116.67 122.78 1w3i s ASP 19 Ca 0.65 -2.07 0.03 0.00 -0.52 0.00 0.00 52.55 50.65 1w3i s ASP 19 Cb -0.39 -2.40 0.58 0.00 -1.46 0.00 0.00 42.92 39.26 1w3i s ASP 19 CO 0.31 -1.05 1.89 0.11 0.52 0.00 0.00 175.17 176.95 1w3i h LYS 20 N 8.79 0.62 -0.33 4.34 1.57 -1.92 -1.90 116.57 127.75 1w3i h LYS 20 Ca 0.16 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 1w3i h LYS 20 Cb 1.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1w3i h LYS 20 CO 1.11 0.58 -0.26 0.93 -0.57 0.00 0.00 179.45 181.24 1w3i h GLU 21 N 0.61 0.75 -0.65 3.15 4.39 -1.98 -1.48 114.58 119.37 1w3i h GLU 21 Ca 0.14 -0.37 -0.06 0.00 0.34 0.00 0.00 59.36 59.41 1w3i h GLU 21 Cb 0.24 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1w3i h GLU 21 CO -0.00 0.99 0.16 0.87 -1.16 0.00 0.00 179.01 179.87 1w3i h LYS 22 N 0.52 1.01 -0.71 2.33 1.57 -1.89 -2.13 116.57 117.27 1w3i h LYS 22 Ca 0.06 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1w3i h LYS 22 Cb 0.82 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 1w3i h LYS 22 CO 0.07 0.89 0.44 1.25 -0.57 0.00 0.00 179.45 181.53 1w3i h LEU 23 N 0.97 0.70 -0.53 2.94 5.85 -1.14 -1.83 115.31 122.27 1w3i h LEU 23 Ca 0.21 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1w3i h LEU 23 Cb 0.33 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1w3i h LEU 23 CO -0.00 0.48 -0.02 0.11 -0.34 0.00 0.00 178.44 178.67 1w3i h LYS 24 N 0.84 0.95 -0.62 1.25 1.57 -0.94 -1.05 116.57 118.56 1w3i h LYS 24 Ca 0.29 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1w3i h LYS 24 Cb 0.05 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1w3i h LYS 24 CO -0.12 0.97 0.37 0.82 -0.57 0.00 0.00 179.45 180.92 1w3i h ILE 25 N 0.82 1.18 -0.14 1.86 2.04 -1.13 -1.14 117.51 121.01 1w3i h ILE 25 Ca 0.15 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1w3i h ILE 25 Cb 0.55 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1w3i h ILE 25 CO 0.03 0.19 0.05 -0.74 0.00 0.00 0.00 178.15 177.68 1w3i h HIS 26 N 0.85 0.22 -0.67 1.37 2.76 -1.15 -1.30 115.15 117.23 1w3i h HIS 26 Ca 0.22 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1w3i h HIS 26 Cb -0.02 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 1w3i h HIS 26 CO -0.02 0.33 0.40 0.00 -1.30 0.00 0.00 177.93 177.34 1w3i h ALA 27 N 0.86 0.85 -0.55 5.26 0.00 -0.99 -1.03 119.26 123.67 1w3i h ALA 27 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1w3i h ALA 27 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1w3i h ALA 27 CO -0.00 0.33 0.36 0.93 0.00 0.00 0.00 179.25 180.87 1w3i h GLU 28 N 0.91 0.72 -0.25 0.00 5.08 -1.07 -2.05 114.58 117.91 1w3i h GLU 28 Ca 0.24 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1w3i h GLU 28 Cb -0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1w3i h GLU 28 CO -0.04 0.48 0.12 -0.97 -1.00 0.00 0.00 179.01 177.59 1w3i h ASN 29 N 0.74 0.33 -0.14 1.42 -1.24 -0.51 -1.24 115.58 114.94 1w3i h ASN 29 Ca 0.20 -0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.10 1w3i h ASN 29 Cb -0.08 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 1w3i h ASN 29 CO -0.05 0.37 0.00 -0.07 -1.29 0.00 0.00 177.43 176.39 1w3i h LEU 30 N 0.27 -0.05 -0.62 0.34 3.38 -0.93 -0.30 115.31 117.38 1w3i h LEU 30 Ca 0.08 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1w3i h LEU 30 Cb 0.13 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1w3i h LEU 30 CO -0.01 -0.01 0.39 0.40 0.09 0.00 0.00 178.44 179.30 1w3i h ILE 31 N 0.05 1.08 -0.39 1.22 1.08 -1.32 -1.94 117.51 117.29 1w3i h ILE 31 Ca 0.07 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1w3i h ILE 31 Cb 0.08 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 1w3i h ILE 31 CO -0.11 0.14 0.19 -0.09 -0.69 0.00 0.00 178.15 177.58 1w3i h ARG 32 N 0.76 0.54 -0.16 2.37 2.43 -0.61 -1.92 114.38 117.78 1w3i h ARG 32 Ca 0.25 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1w3i h ARG 32 Cb 0.01 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1w3i h ARG 32 CO -0.10 0.42 0.00 1.63 -1.51 0.00 0.00 179.97 180.41 1w3i n LYS 33 N -4.41 1.50 -0.14 0.20 5.02 -0.18 -4.90 118.16 115.25 1w3i n LYS 33 Ca 0.03 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1w3i n LYS 33 Cb 0.12 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.95 0.93 3.75 0.72 0.00 -0.72 -4.66 105.19 106.16 1w3i n GLY 34 Ca 0.12 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 2.13 -0.03 -0.61 -1.09 -0.79 -4.91 121.20 113.90 1w3i s ILE 35 Ca 0.00 0.11 -0.25 0.00 -2.23 0.00 0.00 60.65 58.28 1w3i s ILE 35 Cb 0.00 -3.07 -0.21 0.00 -1.58 0.00 0.00 42.46 37.61 1w3i s ILE 35 CO 0.00 0.02 1.17 0.44 -1.23 0.00 0.00 174.94 175.34 1w3i h ASP 36 N 4.93 0.11 -5.10 3.58 3.32 -1.52 -3.42 116.42 118.32 1w3i h ASP 36 Ca -0.47 -0.60 -0.08 0.00 0.02 0.00 0.00 57.03 55.90 1w3i h ASP 36 Cb 1.22 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 1w3i h ASP 36 CO 0.80 0.69 -0.24 -0.54 -1.72 0.00 0.00 179.24 178.23 1w3i s LYS 37 N -3.80 0.91 -0.11 3.56 1.02 -1.23 -4.90 119.74 115.18 1w3i s LYS 37 Ca -0.16 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.10 1w3i s LYS 37 Cb 0.02 0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 37.70 1w3i s LYS 37 CO 0.70 -0.31 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.12 1w3i s LEU 38 N -2.62 2.37 -0.39 3.17 1.43 0.60 -1.48 118.68 121.75 1w3i s LEU 38 Ca 0.02 -0.46 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1w3i s LEU 38 Cb 0.02 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.76 1w3i s LEU 38 CO -0.09 0.16 0.27 0.12 0.23 0.00 0.00 176.35 177.04 1w3i s PHE 39 N 0.35 3.24 -0.15 0.29 5.36 0.66 -0.47 117.98 127.26 1w3i s PHE 39 Ca -0.15 -0.60 -0.06 0.00 -0.96 0.00 0.00 56.93 55.16 1w3i s PHE 39 Cb -0.17 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 1w3i s PHE 39 CO 0.07 -0.56 0.07 0.08 -1.46 0.00 0.00 175.22 173.42 1w3i s VAL 40 N 1.66 4.89 -0.65 3.12 1.01 -0.10 -1.52 120.40 128.81 1w3i s VAL 40 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1w3i s VAL 40 Cb -0.19 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1w3i s VAL 40 CO 0.09 0.52 0.04 0.59 0.00 0.00 0.00 175.10 176.35 1w3i n ASN 41 N 2.91 -2.90 -2.26 3.32 3.02 -1.26 -0.85 115.26 117.24 1w3i n ASN 41 Ca -0.18 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1w3i n ASN 41 Cb 0.53 -2.14 0.00 0.00 -0.61 0.00 0.00 39.78 37.56 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 -1.01 -0.67 0.17 7.41 0.00 -1.26 -3.83 105.19 106.01 1w3i n GLY 42 Ca -0.08 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.55 1.13 0.00 2.61 2.02 -1.95 0.68 112.91 116.85 1w3i h THR 43 Ca 0.00 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1w3i h THR 43 Cb 0.00 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1w3i h THR 43 CO 0.00 0.13 -0.21 0.74 0.37 0.00 0.00 175.52 176.56 1w3i h THR 44 N 0.50 1.05 -0.32 3.16 2.02 -1.88 -0.42 112.91 117.02 1w3i h THR 44 Ca 0.14 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1w3i h THR 44 Cb 0.02 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1w3i h THR 44 CO -0.03 0.20 0.00 0.61 0.37 0.00 0.00 175.52 176.68 1w3i n GLY 45 N -0.85 0.49 3.58 2.16 0.00 -0.90 -4.38 105.19 105.29 1w3i n GLY 45 Ca -0.02 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 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 0.43 -2.71 -0.24 0.99 4.77 -0.17 -4.22 117.00 115.85 1w3i n LEU 46 Ca 0.11 -0.56 0.03 0.00 -0.03 0.00 0.00 56.01 55.55 1w3i n LEU 46 Cb 0.27 -2.73 0.12 0.00 -2.33 0.00 0.00 43.42 38.75 1w3i n LEU 46 CO 0.07 0.44 0.79 1.23 -1.33 0.00 0.00 177.39 178.59 1w3i h GLY 47 N -2.01 0.70 2.00 -0.72 0.00 -0.98 0.11 103.07 102.17 1w3i h GLY 47 Ca -0.55 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1w3i h GLY 47 CO 0.60 -0.27 -0.00 -2.55 0.00 0.00 0.00 176.54 174.32 1w3i h PRO 48 N 0.06 0.00 -0.01 4.80 0.11 -1.83 -1.46 132.00 133.68 1w3i h PRO 48 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1w3i h PRO 48 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1w3i h PRO 48 CO -0.67 0.00 -0.17 0.43 -0.21 0.00 0.00 178.00 177.39 1w3i n SER 49 N -3.19 0.71 -4.76 -2.05 7.64 0.38 -4.89 113.62 107.46 1w3i n SER 49 Ca -0.03 -0.70 -0.36 0.00 1.01 0.00 0.00 58.87 58.79 1w3i n SER 49 Cb 0.09 0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 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 -2.49 4.17 0.92 -3.43 1.43 -0.55 -5.10 118.68 113.64 1w3i s LEU 50 Ca 0.27 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 1w3i s LEU 50 Cb 0.20 -2.05 0.14 0.00 0.03 0.00 0.00 46.19 44.52 1w3i s LEU 50 CO 0.49 0.27 1.09 -0.94 0.23 0.00 0.00 176.35 177.50 1w3i s SER 51 N -0.20 3.14 0.32 2.29 1.04 -1.26 -4.76 113.70 114.26 1w3i s SER 51 Ca 0.10 1.68 0.04 0.00 0.48 0.00 0.00 55.95 58.25 1w3i s SER 51 Cb -0.12 -2.32 0.65 0.00 0.10 0.00 0.00 66.02 64.34 1w3i s SER 51 CO 0.01 -2.88 1.89 -0.65 0.98 0.00 0.00 173.24 172.59 1w3i h PRO 52 N -1.71 0.86 -0.69 4.02 0.11 -1.96 0.71 132.00 133.33 1w3i h PRO 52 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1w3i h PRO 52 Cb 1.28 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1w3i h PRO 52 CO 0.51 0.57 0.38 0.93 -0.21 0.00 0.00 178.00 180.18 1w3i h GLU 53 N 0.88 0.97 -0.31 1.05 3.07 -1.99 -1.96 114.58 116.29 1w3i h GLU 53 Ca 0.42 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 59.05 1w3i h GLU 53 Cb 0.43 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1w3i h GLU 53 CO -0.18 0.72 -0.31 0.93 -1.40 0.00 0.00 179.01 178.77 1w3i h GLU 54 N 0.95 0.66 -0.88 2.33 5.08 -1.62 -0.37 114.58 120.74 1w3i h GLU 54 Ca 0.25 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1w3i h GLU 54 Cb 0.03 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1w3i h GLU 54 CO -0.04 0.89 0.56 0.87 -1.00 0.00 0.00 179.01 180.29 1w3i h LYS 55 N 0.56 1.04 -0.28 2.33 1.57 -0.46 -0.55 116.57 120.78 1w3i h LYS 55 Ca 0.07 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1w3i h LYS 55 Cb 0.81 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1w3i h LYS 55 CO 0.07 0.69 -0.12 1.25 -0.57 0.00 0.00 179.45 180.76 1w3i h LEU 56 N 1.07 0.59 -0.96 2.94 5.85 -1.06 -2.64 115.31 121.09 1w3i h LEU 56 Ca 0.36 -0.40 0.09 0.00 0.84 0.00 0.00 57.88 58.77 1w3i h LEU 56 Cb 0.06 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 1w3i h LEU 56 CO -0.14 0.86 0.60 -0.08 -0.34 0.00 0.00 178.44 179.34 1w3i h GLU 57 N 0.31 0.99 -0.40 1.25 4.81 -0.78 -0.63 114.58 120.14 1w3i h GLU 57 Ca 0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1w3i h GLU 57 Cb 0.63 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1w3i h GLU 57 CO 0.04 0.65 0.21 -0.91 -0.73 0.00 0.00 179.01 178.27 1w3i h ASN 58 N 1.02 0.50 -0.14 1.04 2.35 -1.01 -1.61 115.58 117.73 1w3i h ASN 58 Ca 0.45 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 56.13 1w3i h ASN 58 Cb 0.34 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1w3i h ASN 58 CO -0.23 0.46 -0.04 0.25 -1.65 0.00 0.00 177.43 176.22 1w3i h LEU 59 N 0.51 -0.15 -0.84 1.61 5.85 -0.98 -1.47 115.31 119.83 1w3i h LEU 59 Ca 0.14 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1w3i h LEU 59 Cb 0.08 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1w3i h LEU 59 CO -0.02 -0.06 0.55 0.11 -0.34 0.00 0.00 178.44 178.68 1w3i h LYS 60 N -0.02 1.11 -0.39 1.25 1.57 -0.99 0.12 116.57 119.22 1w3i h LYS 60 Ca 0.07 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1w3i h LYS 60 Cb 0.12 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1w3i h LYS 60 CO -0.15 0.74 0.06 0.00 -0.57 0.00 0.00 179.45 179.53 1w3i h ALA 61 N 1.30 0.52 -0.20 3.86 0.00 -0.99 -2.60 119.26 121.15 1w3i h ALA 61 Ca 0.31 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1w3i h ALA 61 Cb -0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1w3i h ALA 61 CO -0.07 0.23 -0.41 0.28 0.00 0.00 0.00 179.25 179.28 1w3i h VAL 62 N 0.50 1.31 0.00 0.00 2.07 -0.93 -2.91 116.25 116.28 1w3i h VAL 62 Ca 0.12 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 1w3i h VAL 62 Cb 0.37 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1w3i h VAL 62 CO 0.01 0.49 -0.17 0.22 0.02 0.00 0.00 177.57 178.13 1w3i h TYR 63 N 0.38 0.00 -0.18 1.57 3.20 -0.61 0.13 116.97 121.46 1w3i h TYR 63 Ca 0.03 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1w3i h TYR 63 Cb 0.89 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1w3i h TYR 63 CO 0.03 0.17 0.13 -0.44 -1.64 0.00 0.00 178.16 176.41 1w3i h ASP 64 N 0.00 0.10 0.07 -2.11 3.32 -1.25 -3.21 116.42 113.34 1w3i h ASP 64 Ca -0.00 -0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1w3i h ASP 64 Cb 0.42 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1w3i h ASP 64 CO 0.02 0.07 -2.03 0.52 -1.72 0.00 0.00 179.24 176.10 1w3i n VAL 65 N -4.50 1.67 -3.60 -1.35 0.31 -0.06 -5.05 118.33 105.75 1w3i n VAL 65 Ca 0.01 -0.52 -0.14 0.00 -0.01 0.00 0.00 64.34 63.67 1w3i n VAL 65 Cb 0.18 -1.72 -0.06 0.00 -0.91 0.00 0.00 33.84 31.33 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 -2.52 0.03 -2.27 2.52 -1.32 -0.63 -5.00 115.64 106.45 1w3i s THR 66 Ca -0.27 -0.25 0.21 0.00 -1.21 0.00 0.00 61.69 60.17 1w3i s THR 66 Cb 0.08 -0.93 0.46 0.00 -1.51 0.00 0.00 72.50 70.60 1w3i s THR 66 CO 0.69 -0.14 1.44 -0.46 -2.21 0.00 0.00 174.62 173.94 1w3i n ASN 67 N 0.64 2.95 -3.64 8.08 2.04 -1.26 -3.99 115.26 120.09 1w3i n ASN 67 Ca -0.19 -1.93 -0.41 0.00 -0.44 0.00 0.00 54.58 51.61 1w3i n ASN 67 Cb 0.59 -0.27 -0.00 0.00 -2.53 0.00 0.00 39.78 37.57 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 1.14 4.04 -5.13 -3.83 4.76 -1.26 -3.78 118.16 114.10 1w3i n LYS 68 Ca 0.19 -3.35 -0.30 0.00 -2.87 0.00 0.00 58.31 51.98 1w3i n LYS 68 Cb 0.51 -2.80 -0.16 0.00 -1.84 0.00 0.00 35.03 30.74 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 -0.06 1.86 -0.19 -0.18 1.01 -1.26 -0.29 121.20 122.09 1w3i s ILE 69 Ca 0.49 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1w3i s ILE 69 Cb 0.15 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1w3i s ILE 69 CO -0.05 0.52 -0.03 -0.63 0.00 0.00 0.00 174.94 174.75 1w3i s ILE 70 N -0.14 3.66 -0.41 2.92 1.01 0.38 -1.24 121.20 127.39 1w3i s ILE 70 Ca -0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1w3i s ILE 70 Cb -0.13 -2.64 0.04 0.00 0.01 0.00 0.00 42.46 39.74 1w3i s ILE 70 CO 0.03 0.45 0.27 0.12 0.00 0.00 0.00 174.94 175.80 1w3i s PHE 71 N 0.99 3.25 0.01 3.97 5.36 -0.12 -0.92 117.98 130.53 1w3i s PHE 71 Ca 0.01 -0.91 -0.25 0.00 -0.96 0.00 0.00 56.93 54.82 1w3i s PHE 71 Cb -0.15 -2.65 -0.05 0.00 -0.34 0.00 0.00 43.02 39.84 1w3i s PHE 71 CO 0.01 -0.68 0.78 -1.14 -1.46 0.00 0.00 175.22 172.73 1w3i s GLN 72 N 1.59 4.50 0.00 10.12 -0.44 -0.03 -0.81 119.66 134.58 1w3i s GLN 72 Ca 0.03 1.07 0.00 0.00 -2.50 0.00 0.00 55.36 53.97 1w3i s GLN 72 Cb -0.20 -3.39 0.00 0.00 -1.64 0.00 0.00 33.01 27.77 1w3i s GLN 72 CO 0.07 0.19 0.26 1.33 0.50 0.00 0.00 175.29 177.64 1w3i n VAL 73 N 3.17 0.03 -1.53 1.34 0.24 -0.13 -4.72 118.33 116.72 1w3i n VAL 73 Ca -0.01 -0.24 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 1w3i n VAL 73 Cb 0.51 1.49 0.10 0.00 -1.47 0.00 0.00 33.84 34.47 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 -0.03 1.62 0.00 7.63 0.00 -1.25 -4.37 107.32 110.91 1w3i s GLY 74 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1w3i s GLY 74 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.92 1w3i n GLY 75 N -2.05 -0.90 1.19 0.20 0.00 -1.26 -4.96 105.19 97.41 1w3i n GLY 75 Ca 0.07 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 3.52 -4.03 0.99 4.77 -1.26 -4.56 117.00 116.42 1w3i n LEU 76 Ca 0.00 -1.63 -0.32 0.00 -0.03 0.00 0.00 56.01 54.04 1w3i n LEU 76 Cb 0.00 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 1w3i n LEU 76 CO 0.00 0.81 -0.30 0.21 -1.33 0.00 0.00 177.39 176.78 1w3i s ASN 77 N -1.28 4.82 0.41 -1.43 3.84 -1.26 -4.99 114.94 115.04 1w3i s ASN 77 Ca 0.42 -2.18 0.07 0.00 0.21 0.00 0.00 52.86 51.39 1w3i s ASN 77 Cb 0.23 -1.66 0.85 0.00 -0.55 0.00 0.00 41.25 40.13 1w3i s ASN 77 CO 0.32 -0.39 2.05 0.25 -2.79 0.00 0.00 177.10 176.53 1w3i h LEU 78 N 7.62 0.45 -1.30 3.21 5.85 -2.00 -1.64 115.31 127.50 1w3i h LEU 78 Ca -0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1w3i h LEU 78 Cb 1.02 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1w3i h LEU 78 CO 0.55 0.35 0.42 0.44 -0.34 0.00 0.00 178.44 179.85 1w3i h ASP 79 N 0.53 0.78 -0.38 1.25 3.32 -1.97 0.90 116.42 120.84 1w3i h ASP 79 Ca 0.14 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1w3i h ASP 79 Cb -0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1w3i h ASP 79 CO -0.03 0.59 -0.24 0.44 -1.72 0.00 0.00 179.24 178.28 1w3i h ASP 80 N 0.91 0.87 -0.58 6.45 3.32 -1.73 -1.67 116.42 123.99 1w3i h ASP 80 Ca 0.24 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1w3i h ASP 80 Cb -0.06 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1w3i h ASP 80 CO -0.05 1.11 0.20 0.00 -1.72 0.00 0.00 179.24 178.78 1w3i h ALA 81 N 0.79 0.76 -0.53 3.45 0.00 -0.96 -1.58 119.26 121.20 1w3i h ALA 81 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1w3i h ALA 81 Cb 0.80 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1w3i h ALA 81 CO 0.07 0.41 0.33 0.82 0.00 0.00 0.00 179.25 180.88 1w3i h ILE 82 N 0.82 1.09 -0.65 0.00 2.04 -0.78 -0.83 117.51 119.20 1w3i h ILE 82 Ca 0.19 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1w3i h ILE 82 Cb 0.26 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1w3i h ILE 82 CO -0.01 0.12 0.41 0.03 0.00 0.00 0.00 178.15 178.71 1w3i h ARG 83 N 0.66 0.81 -0.55 2.37 3.08 -1.05 0.50 114.38 120.20 1w3i h ARG 83 Ca 0.20 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1w3i h ARG 83 Cb -0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1w3i h ARG 83 CO -0.07 0.53 0.22 -0.07 -1.07 0.00 0.00 179.97 179.51 1w3i h LEU 84 N 0.83 0.77 -0.34 3.04 3.38 -1.11 -0.26 115.31 121.62 1w3i h LEU 84 Ca 0.25 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1w3i h LEU 84 Cb -0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1w3i h LEU 84 CO -0.08 0.73 0.08 0.00 0.09 0.00 0.00 178.44 179.26 1w3i h ALA 85 N 1.07 0.37 -0.60 1.53 0.00 -0.67 -2.02 119.26 118.93 1w3i h ALA 85 Ca 0.18 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1w3i h ALA 85 Cb 0.20 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1w3i h ALA 85 CO -0.01 -0.32 0.13 0.87 0.00 0.00 0.00 179.25 179.91 1w3i h LYS 86 N 0.20 0.97 0.00 0.00 1.57 -0.62 -2.85 116.57 115.85 1w3i h LYS 86 Ca 0.16 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1w3i h LYS 86 Cb 0.17 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1w3i h LYS 86 CO -0.20 0.90 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.40 1w3i h LEU 87 N 0.88 0.00 -0.92 2.94 3.38 -0.81 -1.95 115.31 118.83 1w3i h LEU 87 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1w3i h LEU 87 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1w3i h LEU 87 CO 0.01 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.11 1w3i n SER 88 N -4.01 0.43 0.22 -0.43 3.41 -0.78 -2.78 113.62 109.68 1w3i n SER 88 Ca -0.02 0.68 0.15 0.00 -0.26 0.00 0.00 58.87 59.41 1w3i n SER 88 Cb 0.20 -0.74 0.80 0.00 -0.26 0.00 0.00 64.21 64.21 1w3i n SER 88 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1w3i h LYS 89 N 0.00 0.00 -0.27 4.33 2.10 -1.49 -2.04 116.57 119.20 1w3i h LYS 89 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1w3i h LYS 89 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1w3i h LYS 89 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1w3i n ASP 90 N -4.03 1.40 -4.08 7.07 8.00 -1.12 -4.78 116.55 119.02 1w3i n ASP 90 Ca 0.00 -2.01 -0.28 0.00 0.71 0.00 0.00 54.79 53.22 1w3i n ASP 90 Cb 0.23 -0.18 -0.17 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.66 1.89 -1.31 1.24 0.40 -0.77 -5.05 117.98 112.73 1w3i s PHE 91 Ca 0.17 -0.79 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 1w3i s PHE 91 Cb 0.09 -1.34 0.15 0.00 0.51 0.00 0.00 43.02 42.42 1w3i s PHE 91 CO 0.12 -0.38 1.90 -3.47 0.70 0.00 0.00 175.22 174.09 1w3i n ASP 92 N 3.89 4.90 -3.99 1.36 2.03 -1.26 -4.94 116.55 118.53 1w3i n ASP 92 Ca -0.21 -3.06 -0.19 0.00 0.52 0.00 0.00 54.79 51.86 1w3i n ASP 92 Cb 0.52 -1.52 -0.01 0.00 -0.72 0.00 0.00 41.12 39.40 1w3i n ASP 92 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1w3i n ILE 93 N 3.74 0.00 0.07 5.18 -5.35 -1.26 -4.79 119.36 116.95 1w3i n ILE 93 Ca 0.42 -1.56 -0.21 0.00 -0.27 0.00 0.00 62.75 61.12 1w3i n ILE 93 Cb 0.37 -0.10 -0.14 0.00 -1.74 0.00 0.00 39.64 38.03 1w3i n ILE 93 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1w3i h VAL 94 N 0.69 1.43 -1.48 7.28 2.07 -1.27 -3.48 116.25 121.49 1w3i h VAL 94 Ca -0.25 -2.49 0.35 0.00 0.82 0.00 0.00 66.70 65.13 1w3i h VAL 94 Cb 0.90 3.01 -0.11 0.00 -1.52 0.00 0.00 31.29 33.57 1w3i h VAL 94 CO 0.40 0.72 0.89 -0.83 0.02 0.00 0.00 177.57 178.78 1w3i s GLY 95 N -4.41 -0.38 0.37 2.17 0.00 -1.15 -4.30 107.32 99.63 1w3i s GLY 95 Ca -0.12 0.62 0.08 0.00 0.00 0.00 0.00 44.72 45.30 1w3i s GLY 95 CO 0.87 1.40 0.28 -0.26 0.00 0.00 0.00 173.10 175.39 1w3i s ILE 96 N -2.23 3.02 0.06 0.90 -4.36 -0.34 -0.95 121.20 117.30 1w3i s ILE 96 Ca 0.18 -1.45 -0.07 0.00 -0.26 0.00 0.00 60.65 59.05 1w3i s ILE 96 Cb 0.05 -3.06 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 1w3i s ILE 96 CO -0.04 -0.10 0.13 0.00 0.24 0.00 0.00 174.94 175.16 1w3i s ALA 97 N -2.41 -0.09 -0.03 2.27 0.00 0.01 -0.52 121.76 120.98 1w3i s ALA 97 Ca 0.43 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1w3i s ALA 97 Cb -0.03 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1w3i s ALA 97 CO 0.26 -0.39 0.11 0.45 0.00 0.00 0.00 175.76 176.18 1w3i s SER 98 N -2.45 -0.08 0.83 0.00 0.15 -0.88 -0.96 113.70 110.31 1w3i s SER 98 Ca -0.00 0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.67 1w3i s SER 98 Cb 0.02 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1w3i s SER 98 CO -0.07 -0.09 1.13 -0.72 1.20 0.00 0.00 173.24 174.69 1w3i s TYR 99 N -0.17 2.81 0.61 3.44 -0.85 -1.26 -1.32 117.35 120.61 1w3i s TYR 99 Ca -0.02 0.96 -0.16 0.00 -0.52 0.00 0.00 57.07 57.32 1w3i s TYR 99 Cb -0.02 -3.27 -0.03 0.00 0.38 0.00 0.00 41.96 39.02 1w3i s TYR 99 CO 0.00 -1.90 1.10 0.00 -1.52 0.00 0.00 175.55 173.24 1w3i s ALA 100 N -3.30 2.60 -0.09 9.51 0.00 -1.25 -4.79 121.76 124.43 1w3i s ALA 100 Ca 0.62 0.59 -0.37 0.00 0.00 0.00 0.00 51.96 52.80 1w3i s ALA 100 Cb -0.13 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 1w3i s ALA 100 CO 0.53 -1.01 1.71 -2.30 0.00 0.00 0.00 175.76 174.69 1w3i n PRO 101 N -2.00 1.67 -2.54 0.00 -0.02 -1.26 -4.92 135.00 125.94 1w3i n PRO 101 Ca 0.10 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 1w3i n PRO 101 Cb 0.52 -2.36 0.09 0.00 -0.02 0.00 0.00 33.50 31.73 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 5.15 -2.72 0.00 6.00 0.18 -1.26 -4.71 117.16 119.80 1w3i n TYR 102 Ca 0.23 -1.71 0.00 0.00 1.88 0.00 0.00 57.90 58.29 1w3i n TYR 102 Cb 0.22 -0.58 0.00 0.00 -0.38 0.00 0.00 39.34 38.60 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 -2.45 0.00 -2.17 -3.48 9.36 -1.24 -4.91 117.16 112.26 1w3i n TYR 103 Ca 0.15 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.94 1w3i n TYR 103 Cb 0.53 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.22 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 2.29 0.64 2.98 1.51 -1.26 -4.97 117.35 118.54 1w3i s TYR 104 Ca 0.00 0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 56.47 1w3i s TYR 104 Cb 0.00 -3.82 -0.01 0.00 -0.11 0.00 0.00 41.96 38.02 1w3i s TYR 104 CO 0.00 -2.89 1.08 -2.14 -1.11 0.00 0.00 175.55 170.49 1w3i s PRO 105 N 4.09 2.99 -1.28 -1.71 0.02 -1.26 -4.28 135.00 133.57 1w3i s PRO 105 Ca 0.67 1.24 -0.05 0.00 0.02 0.00 0.00 61.00 62.88 1w3i s PRO 105 Cb -0.27 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.27 1w3i s PRO 105 CO 0.25 -1.08 1.10 0.54 -0.33 0.00 0.00 177.00 177.48 1w3i n ARG 106 N -2.43 -7.37 -2.61 5.54 1.74 -1.26 -4.97 116.66 105.30 1w3i n ARG 106 Ca 0.09 0.84 -0.40 0.00 -0.77 0.00 0.00 57.85 57.61 1w3i n ARG 106 Cb 0.53 -5.87 -0.05 0.00 -1.02 0.00 0.00 32.46 26.04 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 -5.89 4.67 0.47 5.56 -1.94 -1.26 -5.01 119.30 115.90 1w3i s MET 107 Ca 0.33 1.62 -0.22 0.00 -1.71 0.00 0.00 55.69 55.70 1w3i s MET 107 Cb -0.14 -3.13 -0.07 0.00 2.01 0.00 0.00 34.83 33.50 1w3i s MET 107 CO 0.73 0.30 1.16 -1.54 -0.01 0.00 0.00 175.02 175.66 1w3i s SER 108 N -1.12 6.09 0.24 3.03 1.04 -1.26 -4.89 113.70 116.83 1w3i s SER 108 Ca 0.45 2.30 -0.05 0.00 0.48 0.00 0.00 55.95 59.13 1w3i s SER 108 Cb -0.28 -2.60 0.46 0.00 0.10 0.00 0.00 66.02 63.70 1w3i s SER 108 CO 0.35 -0.97 1.70 -0.08 0.98 0.00 0.00 173.24 175.22 1w3i h GLU 109 N 1.91 0.32 -0.55 4.02 4.81 -1.99 -1.44 114.58 121.67 1w3i h GLU 109 Ca -0.49 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1w3i h GLU 109 Cb 1.25 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 1w3i h GLU 109 CO 0.60 0.21 0.23 0.87 -0.73 0.00 0.00 179.01 180.19 1w3i h LYS 110 N 0.33 0.43 -0.52 1.92 1.57 -1.99 0.41 116.57 118.72 1w3i h LYS 110 Ca 0.41 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 59.06 1w3i h LYS 110 Cb 0.68 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1w3i h LYS 110 CO -0.47 0.28 -0.12 0.45 -0.57 0.00 0.00 179.45 179.03 1w3i h HIS 111 N 0.44 1.12 -0.42 -1.35 3.86 -1.82 -0.38 115.15 116.60 1w3i h HIS 111 Ca 0.26 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1w3i h HIS 111 Cb 0.26 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1w3i h HIS 111 CO -0.14 1.05 0.13 -0.07 0.86 0.00 0.00 177.93 179.76 1w3i h LEU 112 N 0.86 0.61 -0.96 2.43 3.38 -0.93 -0.87 115.31 119.84 1w3i h LEU 112 Ca 0.13 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1w3i h LEU 112 Cb 0.68 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1w3i h LEU 112 CO 0.05 0.66 0.64 0.58 0.09 0.00 0.00 178.44 180.45 1w3i h VAL 113 N 0.53 1.24 -0.51 1.22 2.07 -0.80 -2.48 116.25 117.52 1w3i h VAL 113 Ca 0.13 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 1w3i h VAL 113 Cb 0.26 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1w3i h VAL 113 CO -0.00 0.24 -0.16 0.50 0.02 0.00 0.00 177.57 178.17 1w3i h LYS 114 N 1.29 1.00 -0.13 1.57 3.64 -0.71 -0.15 116.57 123.08 1w3i h LYS 114 Ca 0.35 -0.39 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1w3i h LYS 114 Cb -0.14 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.57 1w3i h LYS 114 CO -0.08 1.07 -0.23 -0.92 -2.27 0.00 0.00 179.45 177.02 1w3i h TYR 115 N 0.87 -0.60 -0.30 1.91 3.20 -0.92 -1.24 116.97 119.89 1w3i h TYR 115 Ca 0.13 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 1w3i h TYR 115 Cb 0.72 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1w3i h TYR 115 CO 0.05 -0.31 -0.44 0.74 -1.64 0.00 0.00 178.16 176.55 1w3i h PHE 116 N -0.29 1.03 -0.27 -3.82 -1.00 -1.12 -2.72 116.94 108.74 1w3i h PHE 116 Ca 0.10 -0.34 -0.03 0.00 2.81 0.00 0.00 57.97 60.50 1w3i h PHE 116 Cb 0.44 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 1w3i h PHE 116 CO -0.33 1.15 0.02 0.87 -1.61 0.00 0.00 178.31 178.41 1w3i h LYS 117 N 0.61 0.40 -0.31 1.51 1.57 -0.93 -0.93 116.57 118.49 1w3i h LYS 117 Ca 0.03 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1w3i h LYS 117 Cb 1.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1w3i h LYS 117 CO 0.10 0.41 0.17 1.15 -0.57 0.00 0.00 179.45 180.72 1w3i h THR 118 N 0.39 1.13 -0.72 -0.16 2.02 -1.04 -0.68 112.91 113.84 1w3i h THR 118 Ca 0.09 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1w3i h THR 118 Cb 0.23 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1w3i h THR 118 CO 0.00 0.13 0.34 -0.07 0.37 0.00 0.00 175.52 176.29 1w3i h LEU 119 N 0.38 0.94 -0.95 2.58 3.38 -1.11 -2.60 115.31 117.93 1w3i h LEU 119 Ca 0.11 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1w3i h LEU 119 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1w3i h LEU 119 CO -0.02 0.80 -0.01 0.00 0.09 0.00 0.00 178.44 179.30 1w3i h GLU 121 N 0.71 0.18 -0.01 0.00 5.08 -0.76 -2.85 114.58 116.93 1w3i h GLU 121 Ca 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1w3i h GLU 121 Cb 0.45 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1w3i h GLU 121 CO 0.02 0.36 -0.60 1.33 -1.00 0.00 0.00 179.01 179.12 1w3i n VAL 122 N -4.26 0.00 -2.49 3.13 0.24 -1.09 -4.98 118.33 108.89 1w3i n VAL 122 Ca -0.01 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.67 1w3i n VAL 122 Cb 0.29 1.18 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 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 -2.55 7.14 0.00 -1.34 0.15 -0.64 -4.47 113.70 111.98 1w3i s SER 123 Ca 0.15 1.91 0.27 0.00 0.70 0.00 0.00 55.95 58.98 1w3i s SER 123 Cb 0.17 -2.57 1.43 0.00 -1.71 0.00 0.00 66.02 63.34 1w3i s SER 123 CO 0.63 -0.44 1.94 -0.81 1.20 0.00 0.00 173.24 175.77 1w3i n PRO 124 N 4.10 1.22 -4.18 5.44 -0.04 -1.26 -4.89 135.00 135.38 1w3i n PRO 124 Ca 0.09 -0.32 -0.11 0.00 -0.04 0.00 0.00 63.50 63.12 1w3i n PRO 124 Cb 0.47 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.98 0.98 0.46 0.54 3.76 -1.26 -4.98 115.29 112.82 1w3i s HIS 125 Ca 0.40 -1.13 -0.23 0.00 -0.15 0.00 0.00 55.06 53.95 1w3i s HIS 125 Cb 0.19 -0.56 -0.09 0.00 1.11 0.00 0.00 32.58 33.23 1w3i s HIS 125 CO 0.32 -0.37 1.01 -2.30 -0.85 0.00 0.00 174.74 172.55 1w3i n PRO 126 N -0.14 1.30 -4.65 8.40 -0.02 -1.26 -4.67 135.00 133.95 1w3i n PRO 126 Ca -0.07 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1w3i n PRO 126 Cb 0.63 -2.10 -0.12 0.00 -0.02 0.00 0.00 33.50 31.89 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 -1.33 3.50 -0.11 -1.45 1.01 -1.26 -1.20 120.40 119.56 1w3i s VAL 127 Ca 0.66 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1w3i s VAL 127 Cb -0.52 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1w3i s VAL 127 CO 0.55 0.56 -0.15 -0.31 0.00 0.00 0.00 175.10 175.75 1w3i s TYR 128 N -0.28 2.75 0.04 5.22 1.51 0.32 -0.44 117.35 126.48 1w3i s TYR 128 Ca 0.03 -0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 55.21 1w3i s TYR 128 Cb -0.13 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1w3i s TYR 128 CO 0.03 -0.15 1.01 -1.17 -1.11 0.00 0.00 175.55 174.16 1w3i s LEU 129 N 0.10 4.40 -0.43 -1.29 2.96 -0.27 -2.07 118.68 122.08 1w3i s LEU 129 Ca -0.07 1.75 -0.09 0.00 -0.22 0.00 0.00 54.13 55.51 1w3i s LEU 129 Cb -0.15 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.06 1w3i s LEU 129 CO 0.05 -0.24 0.28 -0.47 -1.32 0.00 0.00 176.35 174.65 1w3i s TYR 130 N 0.73 3.37 -0.37 5.38 5.04 -0.44 -0.62 117.35 130.45 1w3i s TYR 130 Ca 0.52 -1.65 -0.17 0.00 -2.44 0.00 0.00 57.07 53.33 1w3i s TYR 130 Cb -0.23 -3.12 -0.00 0.00 0.35 0.00 0.00 41.96 38.96 1w3i s TYR 130 CO 0.29 -0.89 0.43 1.21 -1.34 0.00 0.00 175.55 175.25 1w3i s ASN 131 N 2.27 6.23 -0.41 4.32 3.04 0.64 -3.86 114.94 127.18 1w3i s ASN 131 Ca 0.04 -0.28 0.04 0.00 0.04 0.00 0.00 52.86 52.69 1w3i s ASN 131 Cb -0.24 -2.23 0.17 0.00 -1.54 0.00 0.00 41.25 37.41 1w3i s ASN 131 CO 0.01 -0.45 0.34 -0.47 -3.04 0.00 0.00 177.10 173.49 1w3i s TYR 132 N 2.18 1.03 0.34 0.43 6.04 -1.26 -0.77 117.35 125.34 1w3i s TYR 132 Ca 0.14 -2.28 0.01 0.00 0.04 0.00 0.00 57.07 54.99 1w3i s TYR 132 Cb -0.16 -0.89 0.59 0.00 -1.04 0.00 0.00 41.96 40.45 1w3i s TYR 132 CO 0.13 -0.84 2.00 -1.35 -1.54 0.00 0.00 175.55 173.95 1w3i h PRO 133 N 5.69 0.90 -0.74 4.97 0.11 -1.71 -1.55 132.00 139.67 1w3i h PRO 133 Ca 0.26 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.25 1w3i h PRO 133 Cb 0.92 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 1w3i h PRO 133 CO 0.36 0.60 0.21 1.15 -0.21 0.00 0.00 178.00 180.10 1w3i h THR 134 N 0.93 1.26 0.05 -1.15 2.02 -1.87 0.13 112.91 114.29 1w3i h THR 134 Ca 0.25 -0.94 -0.27 0.00 0.77 0.00 0.00 66.41 66.22 1w3i h THR 134 Cb -0.11 0.47 0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1w3i h THR 134 CO -0.05 0.37 -1.10 0.00 0.37 0.00 0.00 175.52 175.10 1w3i h ALA 135 N 1.11 0.15 0.00 6.16 0.00 -1.86 -3.37 119.26 121.46 1w3i h ALA 135 Ca 0.23 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1w3i h ALA 135 Cb 0.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1w3i h ALA 135 CO -0.00 0.75 -1.69 0.25 0.00 0.00 0.00 179.25 178.56 1w3i n THR 136 N -3.77 0.08 -0.70 0.00 -2.24 -0.62 -4.65 114.28 102.37 1w3i n THR 136 Ca -0.10 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1w3i n THR 136 Cb 0.92 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.29 0.73 3.22 3.38 0.00 0.46 -3.65 105.19 110.63 1w3i n GLY 137 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.30 0.86 -0.18 1.61 0.00 -1.23 -4.79 119.74 115.71 1w3i s LYS 138 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 55.97 55.06 1w3i s LYS 138 Cb 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 37.83 38.17 1w3i s LYS 138 CO 0.00 -0.28 -0.06 0.34 0.00 0.00 0.00 175.35 175.35 1w3i s ASP 139 N -2.77 4.37 -0.86 0.03 2.15 -1.26 -3.83 116.67 114.50 1w3i s ASP 139 Ca 0.04 -0.31 -0.07 0.00 0.43 0.00 0.00 52.55 52.64 1w3i s ASP 139 Cb 0.04 -1.72 0.22 0.00 -0.30 0.00 0.00 42.92 41.15 1w3i s ASP 139 CO -0.10 0.07 0.77 -0.63 -0.17 0.00 0.00 175.17 175.10 1w3i s ILE 140 N 0.93 4.94 0.80 4.11 -1.09 -1.26 -5.02 121.20 124.61 1w3i s ILE 140 Ca -0.01 -3.14 -0.14 0.00 -2.23 0.00 0.00 60.65 55.13 1w3i s ILE 140 Cb -0.15 -4.06 0.19 0.00 -1.58 0.00 0.00 42.46 36.86 1w3i s ILE 140 CO 0.01 -1.04 1.02 -0.90 -1.23 0.00 0.00 174.94 172.79 1w3i n ASP 141 N 3.17 -0.25 -0.37 3.58 5.68 -1.26 -4.61 116.55 122.50 1w3i n ASP 141 Ca 0.16 -1.32 0.04 0.00 -0.50 0.00 0.00 54.79 53.18 1w3i n ASP 141 Cb 0.41 -0.80 0.20 0.00 -1.14 0.00 0.00 41.12 39.79 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 -1.96 1.45 -0.28 2.12 0.00 -1.88 0.20 119.26 118.91 1w3i h ALA 142 Ca -0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1w3i h ALA 142 Cb 0.94 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1w3i h ALA 142 CO 0.23 0.37 0.04 -0.22 0.00 0.00 0.00 179.25 179.67 1w3i h LYS 143 N 1.12 0.46 -0.35 0.00 3.64 -1.92 -1.34 116.57 118.17 1w3i h LYS 143 Ca 0.46 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1w3i h LYS 143 Cb 0.28 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1w3i h LYS 143 CO -0.21 0.58 -0.23 0.28 -2.27 0.00 0.00 179.45 177.61 1w3i h VAL 144 N 0.28 1.27 -0.82 2.00 2.07 -1.76 -1.57 116.25 117.72 1w3i h VAL 144 Ca 0.08 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1w3i h VAL 144 Cb 0.35 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1w3i h VAL 144 CO 0.01 0.44 0.54 0.00 0.02 0.00 0.00 177.57 178.57 1w3i h ALA 145 N 1.13 1.04 -0.61 1.67 0.00 -0.53 -0.80 119.26 121.15 1w3i h ALA 145 Ca 0.09 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1w3i h ALA 145 Cb 0.72 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1w3i h ALA 145 CO 0.06 0.45 0.10 -0.22 0.00 0.00 0.00 179.25 179.64 1w3i h LYS 146 N 1.11 1.02 -0.53 0.00 3.64 -0.94 -0.83 116.57 120.04 1w3i h LYS 146 Ca 0.30 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1w3i h LYS 146 Cb -0.12 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 1w3i h LYS 146 CO -0.06 0.95 0.33 1.49 -2.27 0.00 0.00 179.45 179.88 1w3i h GLU 147 N 0.92 0.71 -0.17 1.90 4.81 -0.91 -2.57 114.58 119.28 1w3i h GLU 147 Ca 0.19 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1w3i h GLU 147 Cb 0.42 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1w3i h GLU 147 CO 0.01 0.50 0.11 0.82 -0.73 0.00 0.00 179.01 179.72 1w3i h ILE 148 N 0.71 1.05 -0.14 2.32 2.04 -0.83 -3.46 117.51 119.20 1w3i h ILE 148 Ca 0.19 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 1w3i h ILE 148 Cb -0.03 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1w3i h ILE 148 CO -0.04 0.05 -0.05 0.61 0.00 0.00 0.00 178.15 178.72 1w3i n GLY 149 N -1.10 0.61 0.00 5.37 0.00 -0.35 -4.84 105.19 104.88 1w3i n GLY 149 Ca -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.08 3.90 -0.02 0.00 0.40 -1.26 -4.52 117.98 116.39 1w3i s PHE 151 Ca 0.00 1.83 0.12 0.00 -0.60 0.00 0.00 56.93 58.28 1w3i s PHE 151 Cb 0.00 -2.99 -0.12 0.00 0.51 0.00 0.00 43.02 40.42 1w3i s PHE 151 CO 0.00 0.35 1.16 1.15 0.70 0.00 0.00 175.22 178.58 1w3i h THR 152 N 3.57 1.14 -2.97 0.64 2.02 -1.12 -3.46 112.91 112.73 1w3i h THR 152 Ca -0.44 -2.74 0.07 0.00 0.77 0.00 0.00 66.41 64.07 1w3i h THR 152 Cb 1.21 2.53 -0.05 0.00 -1.74 0.00 0.00 68.15 70.09 1w3i h THR 152 CO 0.70 0.65 0.24 -0.83 0.37 0.00 0.00 175.52 176.65 1w3i s GLY 153 N -4.72 -0.11 -0.00 2.16 0.00 -1.22 -1.52 107.32 101.92 1w3i s GLY 153 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1w3i s GLY 153 CO 0.80 -0.08 -0.02 0.54 0.00 0.00 0.00 173.10 174.34 1w3i s VAL 154 N -3.89 0.15 -0.26 1.40 0.11 0.18 -1.11 120.40 116.97 1w3i s VAL 154 Ca 0.11 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.03 1w3i s VAL 154 Cb -0.06 -0.13 -0.00 0.00 -1.53 0.00 0.00 36.38 34.66 1w3i s VAL 154 CO 0.06 0.04 0.02 -0.75 -3.33 0.00 0.00 175.10 171.15 1w3i s LYS 155 N -0.03 3.24 -0.34 1.54 2.20 0.21 -0.84 119.74 125.72 1w3i s LYS 155 Ca 0.01 -0.74 -0.08 0.00 -0.36 0.00 0.00 55.97 54.80 1w3i s LYS 155 Cb -0.01 -3.20 0.03 0.00 -1.51 0.00 0.00 37.83 33.14 1w3i s LYS 155 CO -0.00 -0.32 0.13 0.34 -0.36 0.00 0.00 175.35 175.15 1w3i s ASP 156 N 1.49 5.42 -0.44 1.43 3.68 -0.21 -0.26 116.67 127.78 1w3i s ASP 156 Ca 0.04 -0.99 -0.10 0.00 2.13 0.00 0.00 52.55 53.63 1w3i s ASP 156 Cb -0.16 -1.93 0.09 0.00 -1.45 0.00 0.00 42.92 39.48 1w3i s ASP 156 CO -0.00 -0.31 0.30 -0.89 0.13 0.00 0.00 175.17 174.39 1w3i s THR 157 N 1.48 4.33 -0.13 1.71 2.01 0.05 -1.26 115.64 123.83 1w3i s THR 157 Ca 0.01 -1.48 -0.30 0.00 0.31 0.00 0.00 61.69 60.22 1w3i s THR 157 Cb -0.19 -3.70 0.11 0.00 0.01 0.00 0.00 72.50 68.73 1w3i s THR 157 CO 0.04 -0.60 0.91 -0.51 -0.69 0.00 0.00 174.62 173.77 1w3i s ILE 158 N 1.43 0.00 -1.31 1.82 2.07 -1.26 -4.06 121.20 119.88 1w3i s ILE 158 Ca 0.04 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.20 1w3i s ILE 158 Cb -0.24 -1.00 0.14 0.00 0.13 0.00 0.00 42.46 41.49 1w3i s ILE 158 CO 0.02 0.00 2.08 -0.62 -1.91 0.00 0.00 174.94 174.51 1w3i n GLU 159 N 0.83 3.91 -2.92 3.50 1.02 -1.26 -4.73 120.64 120.99 1w3i n GLU 159 Ca -0.13 -3.44 0.02 0.00 -0.02 0.00 0.00 57.16 53.60 1w3i n GLU 159 Cb 0.58 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.16 1w3i n GLU 159 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1w3i s ASN 160 N 0.80 -0.62 0.44 1.62 3.84 -1.26 -5.02 114.94 114.74 1w3i s ASN 160 Ca 0.45 -0.25 0.25 0.00 0.21 0.00 0.00 52.86 53.52 1w3i s ASN 160 Cb 0.13 0.89 0.82 0.00 -0.55 0.00 0.00 41.25 42.54 1w3i s ASN 160 CO -0.03 -0.08 1.78 -0.29 -2.79 0.00 0.00 177.10 175.69 1w3i h ILE 161 N 3.96 0.39 -0.66 -5.21 2.10 -2.00 -2.55 117.51 113.54 1w3i h ILE 161 Ca -0.03 -1.11 0.04 0.00 1.08 0.00 0.00 64.86 64.85 1w3i h ILE 161 Cb 1.21 1.83 -0.05 0.00 -1.09 0.00 0.00 36.82 38.73 1w3i h ILE 161 CO -0.03 0.17 0.39 0.40 -1.08 0.00 0.00 178.15 177.99 1w3i h ILE 162 N 0.00 1.03 -0.59 2.19 2.04 -1.99 0.16 117.51 120.35 1w3i h ILE 162 Ca -0.00 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1w3i h ILE 162 Cb 0.81 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1w3i h ILE 162 CO 0.02 0.13 0.39 -0.74 0.00 0.00 0.00 178.15 177.96 1w3i h HIS 163 N 0.74 0.74 -0.26 1.37 2.76 -1.88 -0.45 115.15 118.16 1w3i h HIS 163 Ca 0.28 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.44 1w3i h HIS 163 Cb 0.10 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 1w3i h HIS 163 CO -0.06 0.46 0.06 1.15 -1.30 0.00 0.00 177.93 178.24 1w3i h THR 164 N 0.79 1.21 -0.37 6.26 2.02 -1.25 -2.69 112.91 118.88 1w3i h THR 164 Ca 0.22 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.75 1w3i h THR 164 Cb -0.08 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1w3i h THR 164 CO -0.05 0.23 0.25 -0.07 0.37 0.00 0.00 175.52 176.24 1w3i h LEU 165 N 0.26 0.26 -1.61 2.58 3.38 -0.72 -2.26 115.31 117.20 1w3i h LEU 165 Ca 0.08 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1w3i h LEU 165 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1w3i h LEU 165 CO 0.00 0.18 -0.21 0.44 0.09 0.00 0.00 178.44 178.93 1w3i h ASP 166 N 0.30 0.00 -0.96 -0.43 3.32 -0.73 -0.67 116.42 117.24 1w3i h ASP 166 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1w3i h ASP 166 Cb 0.26 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1w3i h ASP 166 CO -0.03 0.21 0.59 1.88 -1.72 0.00 0.00 179.24 180.17 1w3i h TYR 167 N 0.00 1.25 -0.47 4.55 -1.99 -1.41 -1.01 116.97 117.89 1w3i h TYR 167 Ca -0.00 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.65 1w3i h TYR 167 Cb 0.43 -0.41 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 1w3i h TYR 167 CO 0.00 0.82 -0.04 -0.22 -0.00 0.00 0.00 178.16 178.72 1w3i h LYS 168 N 1.32 0.85 -0.55 4.88 3.64 -1.26 0.15 116.57 125.60 1w3i h LYS 168 Ca 0.34 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1w3i h LYS 168 Cb -0.08 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1w3i h LYS 168 CO -0.07 0.92 0.23 -0.09 -2.27 0.00 0.00 179.45 178.17 1w3i h ARG 169 N 0.70 0.81 0.02 1.90 2.43 -0.94 -2.93 114.38 116.37 1w3i h ARG 169 Ca 0.13 -0.14 -0.28 0.00 -0.81 0.00 0.00 59.98 58.87 1w3i h ARG 169 Cb 0.56 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1w3i h ARG 169 CO 0.03 0.70 -1.61 -0.07 -1.51 0.00 0.00 179.97 177.52 1w3i h LEU 170 N 0.74 0.05 -6.25 3.80 4.07 -1.16 -3.41 115.31 113.16 1w3i h LEU 170 Ca 0.18 -0.10 -0.59 0.00 0.08 0.00 0.00 57.88 57.45 1w3i h LEU 170 Cb 0.18 -0.02 -0.41 0.00 1.08 0.00 0.00 40.66 41.49 1w3i h LEU 170 CO -0.02 1.09 -0.69 0.59 -1.08 0.00 0.00 178.44 178.34 1w3i n ASN 171 N -3.15 2.99 0.29 -0.43 4.13 0.51 -4.97 115.26 114.63 1w3i n ASN 171 Ca -0.15 -3.27 0.15 0.00 1.68 0.00 0.00 54.58 52.99 1w3i n ASN 171 Cb 1.03 -0.67 0.92 0.00 -1.54 0.00 0.00 39.78 39.52 1w3i n ASN 171 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1w3i h PRO 172 N 4.29 0.00 -0.60 3.52 0.13 -1.71 -1.16 132.00 136.46 1w3i h PRO 172 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1w3i h PRO 172 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1w3i h PRO 172 CO 0.75 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.61 1w3i n ASN 173 N -3.84 3.22 -4.79 1.44 4.13 -1.26 -4.92 115.26 109.24 1w3i n ASN 173 Ca -0.03 -2.00 -0.37 0.00 1.68 0.00 0.00 54.58 53.86 1w3i n ASN 173 Cb 0.09 -0.40 -0.06 0.00 -1.54 0.00 0.00 39.78 37.87 1w3i n ASN 173 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1w3i s MET 174 N -1.20 4.47 0.02 3.52 1.75 -0.44 -4.98 119.30 122.44 1w3i s MET 174 Ca 0.40 1.13 -0.30 0.00 -1.25 0.00 0.00 55.69 55.67 1w3i s MET 174 Cb 0.21 -2.93 -0.05 0.00 2.84 0.00 0.00 34.83 34.90 1w3i s MET 174 CO 0.27 0.39 1.16 -0.51 -0.65 0.00 0.00 175.02 175.68 1w3i s LEU 175 N -1.82 4.35 -0.20 4.11 1.43 -0.58 -4.92 118.68 121.04 1w3i s LEU 175 Ca 0.44 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 55.45 1w3i s LEU 175 Cb -0.19 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.50 1w3i s LEU 175 CO 0.24 -0.46 -0.09 -0.69 0.23 0.00 0.00 176.35 175.58 1w3i s VAL 176 N 1.32 1.62 0.06 -1.59 1.01 -1.26 -0.65 120.40 120.91 1w3i s VAL 176 Ca 0.57 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1w3i s VAL 176 Cb -0.27 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1w3i s VAL 176 CO 0.27 0.12 -0.10 -0.31 0.00 0.00 0.00 175.10 175.08 1w3i s TYR 177 N 1.40 2.77 0.05 5.22 1.51 -0.02 -1.05 117.35 127.23 1w3i s TYR 177 Ca -0.02 -0.13 -0.15 0.00 -1.01 0.00 0.00 57.07 55.76 1w3i s TYR 177 Cb -0.17 -1.50 -0.06 0.00 -0.11 0.00 0.00 41.96 40.12 1w3i s TYR 177 CO -0.08 0.38 0.47 0.45 -1.11 0.00 0.00 175.55 175.66 1w3i s SER 178 N -1.82 6.85 -0.02 2.29 0.15 -0.46 -1.04 113.70 119.64 1w3i s SER 178 Ca 0.19 1.03 0.04 0.00 0.70 0.00 0.00 55.95 57.91 1w3i s SER 178 Cb -0.11 -2.27 0.16 0.00 -1.71 0.00 0.00 66.02 62.09 1w3i s SER 178 CO 0.10 0.25 0.97 0.61 1.20 0.00 0.00 173.24 176.38 1w3i n GLY 179 N 1.49 0.67 3.56 9.45 0.00 -0.39 -0.40 105.19 119.58 1w3i n GLY 179 Ca -0.11 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1w3i n GLY 179 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1w3i s SER 180 N -0.64 4.84 0.51 1.61 0.15 -1.26 -4.68 113.70 114.25 1w3i s SER 180 Ca 0.11 -0.04 0.30 0.00 0.70 0.00 0.00 55.95 57.03 1w3i s SER 180 Cb 0.07 -1.53 1.12 0.00 -1.71 0.00 0.00 66.02 63.97 1w3i s SER 180 CO 0.06 0.27 1.89 0.44 1.20 0.00 0.00 173.24 177.10 1w3i h ASP 181 N 5.92 0.00 0.22 5.45 3.32 -1.91 -3.24 116.42 126.19 1w3i h ASP 181 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1w3i h ASP 181 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1w3i h ASP 181 CO 0.58 0.04 -0.15 0.23 -1.72 0.00 0.00 179.24 178.21 1w3i n MET 182 N -3.13 0.96 -0.37 3.56 2.81 -1.26 -3.77 117.12 115.90 1w3i n MET 182 Ca 0.01 -0.48 0.07 0.00 -1.81 0.00 0.00 57.70 55.48 1w3i n MET 182 Cb 0.37 -1.49 0.19 0.00 -0.71 0.00 0.00 33.22 31.58 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 -0.60 3.13 -0.09 4.03 4.77 -1.22 -4.74 117.00 122.27 1w3i n LEU 183 Ca 0.15 -3.30 -0.12 0.00 -0.03 0.00 0.00 56.01 52.70 1w3i n LEU 183 Cb 0.32 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1w3i n LEU 183 CO 0.23 0.89 0.69 0.40 -1.33 0.00 0.00 177.39 178.28 1w3i h ILE 184 N 0.82 1.29 -0.65 -0.08 2.04 -1.75 0.05 117.51 119.24 1w3i h ILE 184 Ca 0.04 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1w3i h ILE 184 Cb 1.23 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1w3i h ILE 184 CO 0.13 0.36 0.39 0.00 0.00 0.00 0.00 178.15 179.02 1w3i h ALA 185 N 0.76 0.83 -0.24 1.87 0.00 -1.85 -2.69 119.26 117.94 1w3i h ALA 185 Ca 0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1w3i h ALA 185 Cb 0.58 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1w3i h ALA 185 CO 0.03 0.32 -0.30 1.15 0.00 0.00 0.00 179.25 180.44 1w3i h THR 186 N 0.89 1.32 -0.64 0.00 2.02 -1.84 -2.25 112.91 112.41 1w3i h THR 186 Ca 0.23 -1.49 0.04 0.00 0.77 0.00 0.00 66.41 65.96 1w3i h THR 186 Cb -0.01 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 1w3i h THR 186 CO -0.04 0.47 0.38 0.58 0.37 0.00 0.00 175.52 177.28 1w3i h VAL 187 N 0.33 1.04 -0.21 3.16 2.07 -0.98 -0.94 116.25 120.72 1w3i h VAL 187 Ca 0.03 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1w3i h VAL 187 Cb 0.88 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1w3i h VAL 187 CO 0.07 0.13 -0.28 0.00 0.02 0.00 0.00 177.57 177.52 1w3i h ALA 188 N 1.29 1.14 0.00 1.67 0.00 -1.36 -2.71 119.26 119.28 1w3i h ALA 188 Ca 0.27 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1w3i h ALA 188 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1w3i h ALA 188 CO -0.13 0.55 -0.25 0.77 0.00 0.00 0.00 179.25 180.19 1w3i h SER 189 N 0.36 0.00 -0.34 0.00 0.02 -0.73 -3.33 113.55 109.53 1w3i h SER 189 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1w3i h SER 189 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1w3i h SER 189 CO 0.05 0.25 0.00 1.07 -1.14 0.00 0.00 176.83 177.06 1w3i n THR 190 N -3.20 1.05 -0.59 -2.27 5.66 -0.44 -4.98 114.28 109.51 1w3i n THR 190 Ca 0.02 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 59.99 1w3i n THR 190 Cb 0.59 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 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 0.46 0.69 3.94 1.09 0.00 -1.15 -5.05 105.19 105.17 1w3i n GLY 191 Ca 0.12 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 2.87 0.00 0.99 1.43 -1.04 -5.02 118.68 117.91 1w3i s LEU 192 Ca 0.00 0.35 0.25 0.00 -1.03 0.00 0.00 54.13 53.70 1w3i s LEU 192 Cb 0.00 -2.99 0.40 0.00 0.03 0.00 0.00 46.19 43.63 1w3i s LEU 192 CO 0.00 -1.61 1.36 0.47 0.23 0.00 0.00 176.35 176.79 1w3i n ASP 193 N -2.89 1.97 0.00 2.29 8.00 -0.21 -4.65 116.55 121.06 1w3i n ASP 193 Ca 0.09 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1w3i n ASP 193 Cb 0.60 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 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 1.34 0.99 2.85 0.44 0.00 -1.25 -0.85 105.19 108.72 1w3i n GLY 194 Ca 0.13 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.89 0.41 -0.50 1.61 0.01 -0.69 -1.36 114.94 110.52 1w3i s ASN 195 Ca 0.00 -0.04 -0.17 0.00 -0.71 0.00 0.00 52.86 51.95 1w3i s ASN 195 Cb 0.00 -0.18 0.08 0.00 0.41 0.00 0.00 41.25 41.57 1w3i s ASN 195 CO 0.00 -0.06 0.49 -0.69 -1.51 0.00 0.00 177.10 175.33 1w3i s VAL 196 N 0.70 5.12 -0.27 1.60 1.01 0.47 -1.10 120.40 127.92 1w3i s VAL 196 Ca -0.07 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1w3i s VAL 196 Cb -0.10 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.10 1w3i s VAL 196 CO -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 175.10 174.25 1w3i s ALA 197 N 1.94 2.59 0.32 5.51 0.00 -0.20 -4.01 121.76 127.91 1w3i s ALA 197 Ca 0.07 -1.82 0.07 0.00 0.00 0.00 0.00 51.96 50.27 1w3i s ALA 197 Cb -0.24 -1.62 0.76 0.00 0.00 0.00 0.00 23.12 22.02 1w3i s ALA 197 CO 0.07 -1.23 1.81 0.00 0.00 0.00 0.00 175.76 176.40 1w3i h ALA 198 N 7.76 1.73 0.00 0.00 0.00 -1.86 -1.24 119.26 125.65 1w3i h ALA 198 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1w3i h ALA 198 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1w3i h ALA 198 CO 0.46 -0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.44 1w3i h GLY 199 N 0.76 0.00 2.00 0.00 0.00 -1.95 -1.56 103.07 102.31 1w3i h GLY 199 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1w3i h GLY 199 CO -0.31 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.09 1w3i n SER 200 N -2.50 0.29 -0.23 0.19 3.41 -0.47 -1.06 113.62 113.24 1w3i n SER 200 Ca 0.00 0.57 -0.07 0.00 -0.26 0.00 0.00 58.87 59.11 1w3i n SER 200 Cb 0.18 -0.63 0.04 0.00 -0.26 0.00 0.00 64.21 63.54 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 0.90 0.00 4.04 2.35 -1.45 -2.91 115.58 118.51 1w3i h ASN 201 Ca 0.00 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.45 1w3i h ASN 201 Cb 0.32 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1w3i h ASN 201 CO 0.00 0.84 -1.92 0.00 -1.65 0.00 0.00 177.43 174.71 1w3i n TYR 202 N -4.40 0.00 -2.96 1.19 0.18 -1.01 -4.65 117.16 105.51 1w3i n TYR 202 Ca 0.04 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.61 1w3i n TYR 202 Cb 0.18 -0.55 -0.02 0.00 -0.38 0.00 0.00 39.34 38.57 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 -2.29 2.71 -0.00 -3.48 4.77 -0.23 -4.42 117.00 114.06 1w3i n LEU 203 Ca -0.12 -5.15 0.06 0.00 -0.03 0.00 0.00 56.01 50.76 1w3i n LEU 203 Cb 0.67 0.07 0.45 0.00 -2.33 0.00 0.00 43.42 42.28 1w3i n LEU 203 CO 0.36 2.23 1.16 1.55 -1.33 0.00 0.00 177.39 181.36 1w3i h PRO 204 N 2.95 0.49 -0.86 3.23 0.13 -1.70 -1.40 132.00 134.84 1w3i h PRO 204 Ca 0.11 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.24 1w3i h PRO 204 Cb 0.81 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.77 1w3i h PRO 204 CO 0.66 0.33 0.56 0.93 -0.23 0.00 0.00 178.00 180.24 1w3i h GLU 205 N 0.51 1.05 -0.11 0.86 3.07 -1.89 -1.58 114.58 116.48 1w3i h GLU 205 Ca 0.17 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1w3i h GLU 205 Cb 0.05 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.72 1w3i h GLU 205 CO -0.04 0.70 -0.24 0.28 -1.40 0.00 0.00 179.01 178.31 1w3i h VAL 206 N 1.08 1.38 -0.69 3.13 2.07 -1.62 -2.21 116.25 119.40 1w3i h VAL 206 Ca 0.34 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1w3i h VAL 206 Cb 0.00 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1w3i h VAL 206 CO -0.12 0.44 0.25 0.71 0.02 0.00 0.00 177.57 178.87 1w3i h THR 207 N -0.06 1.24 -0.25 2.57 1.35 -1.19 0.53 112.91 117.10 1w3i h THR 207 Ca 0.00 -0.79 -0.14 0.00 -0.55 0.00 0.00 66.41 64.93 1w3i h THR 207 Cb 0.83 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1w3i h THR 207 CO 0.05 0.31 -0.43 0.58 -0.25 0.00 0.00 175.52 175.79 1w3i h VAL 208 N 1.00 1.30 -0.15 6.82 2.07 -1.30 -2.68 116.25 123.30 1w3i h VAL 208 Ca 0.23 -1.61 -0.20 0.00 0.82 0.00 0.00 66.70 65.94 1w3i h VAL 208 Cb 0.23 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1w3i h VAL 208 CO -0.02 0.51 -0.71 0.74 0.02 0.00 0.00 177.57 178.12 1w3i h THR 209 N 0.50 1.31 -0.25 2.57 2.02 -0.87 -1.25 112.91 116.94 1w3i h THR 209 Ca 0.04 -1.97 0.03 0.00 0.77 0.00 0.00 66.41 65.28 1w3i h THR 209 Cb 0.95 1.94 -0.03 0.00 -1.74 0.00 0.00 68.15 69.28 1w3i h THR 209 CO 0.09 0.61 0.06 0.40 0.37 0.00 0.00 175.52 177.05 1w3i h ILE 210 N 0.47 0.89 -0.64 3.11 2.04 -0.82 -0.74 117.51 121.82 1w3i h ILE 210 Ca -0.03 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1w3i h ILE 210 Cb 1.31 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1w3i h ILE 210 CO 0.14 0.03 0.42 0.50 0.00 0.00 0.00 178.15 179.23 1w3i h LYS 211 N 0.16 0.82 -0.37 2.37 3.64 -1.34 -1.12 116.57 120.74 1w3i h LYS 211 Ca 0.12 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1w3i h LYS 211 Cb 0.11 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1w3i h LYS 211 CO -0.15 0.54 0.05 0.87 -2.27 0.00 0.00 179.45 178.49 1w3i h LYS 212 N 0.85 0.61 -0.69 1.90 1.57 -0.79 -0.96 116.57 119.06 1w3i h LYS 212 Ca 0.24 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1w3i h LYS 212 Cb -0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1w3i h LYS 212 CO -0.06 0.69 0.40 -0.07 -0.57 0.00 0.00 179.45 179.84 1w3i h LEU 213 N 0.45 0.84 -0.84 2.94 3.38 -0.82 -0.46 115.31 120.79 1w3i h LEU 213 Ca 0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1w3i h LEU 213 Cb 0.38 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1w3i h LEU 213 CO 0.01 0.67 0.33 0.00 0.09 0.00 0.00 178.44 179.54 1w3i h ALA 214 N 1.21 1.08 0.00 1.53 0.00 -0.98 -0.86 119.26 121.23 1w3i h ALA 214 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1w3i h ALA 214 Cb -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1w3i h ALA 214 CO -0.04 0.66 -0.13 0.52 0.00 0.00 0.00 179.25 180.26 1w3i h MET 215 N 1.16 0.00 -0.03 0.00 2.86 -0.65 -1.08 114.93 117.18 1w3i h MET 215 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1w3i h MET 215 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1w3i h MET 215 CO -0.02 0.13 0.00 0.39 1.06 0.00 0.00 176.91 178.47 1w3i n GLU 216 N -3.25 1.25 -2.26 1.72 1.02 -0.23 -4.93 120.64 113.97 1w3i n GLU 216 Ca 0.01 -0.37 -0.19 0.00 -0.02 0.00 0.00 57.16 56.59 1w3i n GLU 216 Cb 0.40 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 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 -0.48 -1.75 -2.37 3.49 5.12 -0.41 -4.92 116.66 115.34 1w3i n ARG 217 Ca 0.18 0.94 -0.42 0.00 -1.93 0.00 0.00 57.85 56.63 1w3i n ARG 217 Cb 0.18 -5.54 0.00 0.00 -1.16 0.00 0.00 32.46 25.94 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 -2.83 4.10 -0.18 5.56 5.02 -0.36 -4.82 118.16 124.65 1w3i n LYS 218 Ca -0.22 -3.74 -0.06 0.00 -2.02 0.00 0.00 58.31 52.27 1w3i n LYS 218 Cb 0.66 -2.76 0.10 0.00 -0.02 0.00 0.00 35.03 33.01 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 3.32 1.25 -0.46 -0.18 6.09 -1.87 0.10 117.51 125.77 1w3i h ILE 219 Ca 0.45 -1.00 -0.04 0.00 -1.37 0.00 0.00 64.86 62.89 1w3i h ILE 219 Cb 0.53 0.72 -0.02 0.00 0.47 0.00 0.00 36.82 38.52 1w3i h ILE 219 CO 1.52 0.37 0.12 -0.78 -3.07 0.00 0.00 178.15 176.31 1w3i h ASP 220 N 0.91 0.69 -0.58 2.19 1.82 -1.96 0.35 116.42 119.84 1w3i h ASP 220 Ca 0.18 -0.23 -0.09 0.00 -0.39 0.00 0.00 57.03 56.51 1w3i h ASP 220 Cb 0.43 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 1w3i h ASP 220 CO 0.01 0.74 0.04 -0.08 -1.61 0.00 0.00 179.24 178.34 1w3i h GLU 221 N 0.61 1.02 -0.47 0.28 4.81 -1.88 -0.86 114.58 118.10 1w3i h GLU 221 Ca 0.15 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1w3i h GLU 221 Cb 0.31 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1w3i h GLU 221 CO 0.00 0.98 0.25 0.00 -0.73 0.00 0.00 179.01 179.51 1w3i h ALA 222 N 1.08 0.60 -0.50 2.92 0.00 -0.52 -2.35 119.26 120.49 1w3i h ALA 222 Ca 0.18 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1w3i h ALA 222 Cb 0.50 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1w3i h ALA 222 CO 0.02 0.13 -0.11 -0.07 0.00 0.00 0.00 179.25 179.23 1w3i h LEU 223 N 0.62 0.93 -0.43 0.00 3.38 -0.77 0.21 115.31 119.25 1w3i h LEU 223 Ca 0.16 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1w3i h LEU 223 Cb 0.07 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 1w3i h LEU 223 CO -0.03 1.05 0.09 0.50 0.09 0.00 0.00 178.44 180.14 1w3i h LYS 224 N 0.83 0.22 -0.15 1.13 3.64 -0.90 0.18 116.57 121.53 1w3i h LYS 224 Ca 0.13 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.28 1w3i h LYS 224 Cb 0.64 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1w3i h LYS 224 CO 0.04 0.15 -0.77 1.25 -2.27 0.00 0.00 179.45 177.85 1w3i h LEU 225 N 0.23 0.89 -1.15 5.20 5.85 -1.19 -2.77 115.31 122.37 1w3i h LEU 225 Ca 0.21 -0.58 0.08 0.00 0.84 0.00 0.00 57.88 58.42 1w3i h LEU 225 Cb 0.25 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 1w3i h LEU 225 CO -0.26 1.38 0.59 -0.61 -0.34 0.00 0.00 178.44 179.19 1w3i h GLN 226 N 0.51 0.96 -0.05 1.25 5.75 -0.20 -1.35 115.11 121.98 1w3i h GLN 226 Ca -0.05 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.25 1w3i h GLN 226 Cb 1.39 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1w3i h GLN 226 CO 0.16 0.64 -0.62 0.74 -2.65 0.00 0.00 178.83 177.09 1w3i h PHE 227 N 0.99 0.26 -0.27 3.99 0.05 -0.50 1.00 116.94 122.46 1w3i h PHE 227 Ca 0.41 -0.10 -0.03 0.00 3.82 0.00 0.00 57.97 62.07 1w3i h PHE 227 Cb 0.28 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.17 1w3i h PHE 227 CO -0.00 0.77 0.07 -0.07 -0.18 0.00 0.00 178.31 178.89 1w3i h LEU 228 N 0.15 0.40 -0.84 1.54 3.38 -1.18 -2.83 115.31 115.92 1w3i h LEU 228 Ca -0.01 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1w3i h LEU 228 Cb 1.13 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1w3i h LEU 228 CO 0.09 0.52 0.54 -0.74 0.09 0.00 0.00 178.44 178.94 1w3i h HIS 229 N 0.27 1.00 -0.79 1.13 2.76 -1.01 -2.05 115.15 116.45 1w3i h HIS 229 Ca 0.08 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.35 1w3i h HIS 229 Cb 0.27 -0.33 -0.05 0.00 1.55 0.00 0.00 27.41 28.85 1w3i h HIS 229 CO 0.01 0.56 0.52 -0.44 -1.30 0.00 0.00 177.93 177.28 1w3i h ASP 230 N 1.02 0.73 -0.23 3.26 3.32 -0.71 -0.62 116.42 123.19 1w3i h ASP 230 Ca 0.35 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 1w3i h ASP 230 Cb 0.06 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1w3i h ASP 230 CO -0.13 0.46 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.43 1w3i h GLU 231 N 0.82 0.60 -0.27 3.56 5.08 -1.13 -0.61 114.58 122.64 1w3i h GLU 231 Ca 0.35 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1w3i h GLU 231 Cb 0.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1w3i h GLU 231 CO -0.13 0.69 -0.14 0.28 -1.00 0.00 0.00 179.01 178.72 1w3i h VAL 232 N 0.56 1.30 -0.37 3.13 2.07 -0.97 -1.73 116.25 120.24 1w3i h VAL 232 Ca 0.10 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.42 1w3i h VAL 232 Cb 0.49 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1w3i h VAL 232 CO 0.03 0.39 0.19 0.40 0.02 0.00 0.00 177.57 178.59 1w3i h ILE 233 N 0.31 0.99 -0.67 4.57 2.04 -0.90 -0.65 117.51 123.19 1w3i h ILE 233 Ca 0.06 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1w3i h ILE 233 Cb 0.65 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1w3i h ILE 233 CO 0.04 0.07 0.44 -0.33 0.00 0.00 0.00 178.15 178.37 1w3i h GLU 234 N 0.39 0.86 -0.81 2.37 5.08 -1.07 -2.10 114.58 119.31 1w3i h GLU 234 Ca 0.15 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1w3i h GLU 234 Cb 0.05 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1w3i h GLU 234 CO -0.10 0.57 0.54 0.00 -1.00 0.00 0.00 179.01 179.01 1w3i h ALA 235 N 1.25 1.02 0.00 3.43 0.00 -0.96 -1.94 119.26 122.06 1w3i h ALA 235 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1w3i h ALA 235 Cb -0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1w3i h ALA 235 CO -0.06 0.43 -0.05 0.66 0.00 0.00 0.00 179.25 180.23 1w3i h SER 236 N 1.09 0.00 1.66 0.00 4.64 -0.46 -2.60 113.55 117.89 1w3i h SER 236 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1w3i h SER 236 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1w3i h SER 236 CO -0.06 0.05 -0.29 0.03 -0.87 0.00 0.00 176.83 175.69 1w3i h ARG 237 N 0.00 0.00 -0.53 4.77 3.08 -0.91 -2.85 114.38 117.94 1w3i h ARG 237 Ca -0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1w3i h ARG 237 Cb 0.18 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 1w3i h ARG 237 CO 0.01 0.00 -0.04 0.82 -1.07 0.00 0.00 179.97 179.69 1w3i h ILE 238 N 0.00 0.54 -0.11 2.04 2.04 -1.41 -2.54 117.51 118.07 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 0.97 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1w3i h ILE 238 CO 0.00 0.01 0.00 0.49 0.00 0.00 0.00 178.15 178.65 1w3i n PHE 239 N -5.29 0.12 0.00 1.37 3.01 -1.26 -5.02 117.46 110.39 1w3i n PHE 239 Ca 0.06 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1w3i n PHE 239 Cb 0.29 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 0.97 2.55 0.30 1.37 0.00 -0.96 -4.88 105.19 104.55 1w3i n GLY 240 Ca 0.11 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 0.80 -0.06 1.61 4.64 -1.71 -0.97 113.55 117.86 1w3i h SER 241 Ca 0.00 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 1w3i h SER 241 Cb 0.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1w3i h SER 241 CO 0.00 0.80 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.57 1w3i h LEU 242 N 0.81 0.35 0.10 5.97 3.38 -1.94 0.51 115.31 124.48 1w3i h LEU 242 Ca 0.17 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 1w3i h LEU 242 Cb 0.35 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1w3i h LEU 242 CO 0.00 0.51 -0.88 0.28 0.09 0.00 0.00 178.44 178.44 1w3i h SER 243 N 0.35 0.61 0.28 -0.43 0.02 -1.81 -3.34 113.55 109.22 1w3i h SER 243 Ca 0.07 -0.86 -0.04 0.00 -0.84 0.00 0.00 61.79 60.12 1w3i h SER 243 Cb 0.43 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1w3i h SER 243 CO 0.02 1.41 -0.19 0.28 -1.14 0.00 0.00 176.83 177.21 1w3i h SER 244 N -0.11 0.00 -0.48 3.07 0.02 -0.66 -2.48 113.55 112.92 1w3i h SER 244 Ca -0.14 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1w3i h SER 244 Cb 1.63 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.14 1w3i h SER 244 CO 0.17 0.19 0.32 0.78 -1.14 0.00 0.00 176.83 177.16 1w3i h ASN 245 N 0.00 0.29 -0.17 3.07 2.35 -1.03 0.67 115.58 120.75 1w3i h ASN 245 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1w3i h ASN 245 Cb 0.39 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1w3i h ASN 245 CO 0.03 0.18 -0.04 1.88 -1.65 0.00 0.00 177.43 177.83 1w3i h TYR 246 N 0.33 0.37 -0.34 1.19 -1.99 -1.63 -1.85 116.97 113.05 1w3i h TYR 246 Ca 0.22 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 1w3i h TYR 246 Cb 0.43 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 1w3i h TYR 246 CO -0.00 0.60 0.09 0.28 -0.00 0.00 0.00 178.16 179.13 1w3i h VAL 247 N 0.04 1.21 -0.32 -2.88 2.07 -1.36 -2.48 116.25 112.53 1w3i h VAL 247 Ca 0.04 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1w3i h VAL 247 Cb 0.48 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1w3i h VAL 247 CO 0.02 0.24 -0.04 -0.07 0.02 0.00 0.00 177.57 177.73 1w3i h LEU 248 N 0.39 0.48 -0.25 2.57 3.38 -0.93 -0.63 115.31 120.33 1w3i h LEU 248 Ca 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1w3i h LEU 248 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1w3i h LEU 248 CO -0.00 0.59 0.07 0.74 0.09 0.00 0.00 178.44 179.93 1w3i h THR 249 N 0.49 1.20 -0.22 0.22 2.02 -1.20 -0.86 112.91 114.55 1w3i h THR 249 Ca 0.10 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.69 1w3i h THR 249 Cb 0.39 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1w3i h THR 249 CO 0.02 0.20 -0.02 0.50 0.37 0.00 0.00 175.52 176.59 1w3i h LYS 250 N 0.23 0.04 -0.51 6.66 3.64 -1.11 0.35 116.57 125.87 1w3i h LYS 250 Ca 0.08 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1w3i h LYS 250 Cb 0.24 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1w3i h LYS 250 CO -0.00 0.03 0.20 -0.92 -2.27 0.00 0.00 179.45 176.49 1w3i h TYR 251 N 0.04 0.78 0.02 1.91 3.20 -0.96 -0.04 116.97 121.92 1w3i h TYR 251 Ca 0.11 -0.06 -0.32 0.00 3.14 0.00 0.00 58.73 61.59 1w3i h TYR 251 Cb 0.14 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 1w3i h TYR 251 CO -0.20 0.65 -1.92 1.19 -1.64 0.00 0.00 178.16 176.24 1w3i n PHE 252 N -4.54 0.81 0.61 -3.82 3.01 -0.34 -4.44 117.46 108.75 1w3i n PHE 252 Ca 0.02 0.26 0.08 0.00 1.01 0.00 0.00 57.45 58.82 1w3i n PHE 252 Cb 0.16 -1.14 -0.11 0.00 -0.01 0.00 0.00 39.48 38.39 1w3i n PHE 252 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1w3i n GLN 253 N -3.08 1.20 0.00 -1.08 1.13 0.10 -5.00 117.38 110.65 1w3i n GLN 253 Ca -0.24 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.78 1w3i n GLN 253 Cb 1.07 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 30.09 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 1.43 1.97 3.59 1.08 0.00 -0.03 -5.00 105.19 108.22 1w3i n GLY 254 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.60 2.63 0.29 1.61 -0.85 -1.26 -4.98 117.35 112.18 1w3i s TYR 255 Ca 0.00 -0.23 0.06 0.00 -0.52 0.00 0.00 57.07 56.38 1w3i s TYR 255 Cb 0.00 -1.22 -0.02 0.00 0.38 0.00 0.00 41.96 41.10 1w3i s TYR 255 CO 0.00 0.57 0.40 0.16 -1.52 0.00 0.00 175.55 175.16 1w3i s ASP 256 N -3.21 6.06 -0.28 -0.18 -4.77 -1.26 -3.38 116.67 109.65 1w3i s ASP 256 Ca 0.28 -0.10 0.09 0.00 -3.30 0.00 0.00 52.55 49.52 1w3i s ASP 256 Cb -0.08 -1.49 0.46 0.00 -1.09 0.00 0.00 42.92 40.72 1w3i s ASP 256 CO 0.17 -0.25 1.33 0.18 0.70 0.00 0.00 175.17 177.30 1w3i n LEU 257 N -1.50 3.91 0.00 2.11 4.77 -1.26 -4.95 117.00 120.07 1w3i n LEU 257 Ca -0.04 -4.09 0.00 0.00 -0.03 0.00 0.00 56.01 51.85 1w3i n LEU 257 Cb 0.58 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1w3i n LEU 257 CO 0.43 1.53 0.00 0.61 -1.33 0.00 0.00 177.39 178.64 1w3i n GLY 258 N -1.02 2.08 3.36 -0.72 0.00 -1.26 -3.91 105.19 103.72 1w3i n GLY 258 Ca 0.31 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 1.98 0.85 1.61 1.51 -0.69 -4.89 117.35 117.72 1w3i s TYR 259 Ca 0.00 -0.43 -0.14 0.00 -1.01 0.00 0.00 57.07 55.49 1w3i s TYR 259 Cb 0.00 -0.98 0.20 0.00 -0.11 0.00 0.00 41.96 41.07 1w3i s TYR 259 CO 0.00 0.39 0.98 -0.35 -1.11 0.00 0.00 175.55 175.46 1w3i n PRO 260 N 0.29 -1.66 -3.68 -1.71 -0.04 -1.26 -1.52 135.00 125.42 1w3i n PRO 260 Ca -0.13 -1.54 -0.39 0.00 -0.04 0.00 0.00 63.50 61.41 1w3i n PRO 260 Cb 0.57 -1.16 -0.12 0.00 -0.04 0.00 0.00 33.50 32.74 1w3i n PRO 260 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1w3i s ARG 261 N -5.18 3.02 0.25 0.54 3.52 -1.24 -4.83 118.95 115.04 1w3i s ARG 261 Ca 0.58 -0.93 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 1w3i s ARG 261 Cb -0.03 -3.54 -0.14 0.00 -1.56 0.00 0.00 34.95 29.68 1w3i s ARG 261 CO 0.42 -0.54 1.19 -2.30 -0.81 0.00 0.00 175.30 173.26 1w3i n PRO 262 N 4.93 1.56 -0.03 5.12 -0.02 -1.26 -1.42 135.00 143.88 1w3i n PRO 262 Ca -0.13 0.55 0.01 0.00 -2.02 0.00 0.00 63.50 61.91 1w3i n PRO 262 Cb 0.47 -2.06 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.33 1.14 -2.71 0.52 -0.04 -1.26 -4.99 135.00 128.99 1w3i n PRO 263 Ca 0.11 -0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1w3i n PRO 263 Cb 0.30 -1.08 -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 -1.87 4.19 0.22 0.52 -1.09 -0.51 -5.01 121.20 117.65 1w3i s ILE 264 Ca 0.04 -0.76 -0.18 0.00 -2.23 0.00 0.00 60.65 57.52 1w3i s ILE 264 Cb 0.02 -4.90 -0.08 0.00 -1.58 0.00 0.00 42.46 35.92 1w3i s ILE 264 CO 0.02 -1.73 0.69 -0.36 -1.23 0.00 0.00 174.94 172.33 1w3i s PHE 265 N 4.28 3.60 0.62 3.97 0.40 -1.26 -3.61 117.98 125.99 1w3i s PHE 265 Ca 0.37 1.29 -0.18 0.00 -0.60 0.00 0.00 56.93 57.81 1w3i s PHE 265 Cb -0.05 -2.55 -0.02 0.00 0.51 0.00 0.00 43.02 40.91 1w3i s PHE 265 CO -0.03 0.33 1.18 -1.25 0.70 0.00 0.00 175.22 176.15 1w3i s PRO 266 N -2.11 2.86 0.53 0.24 0.04 -1.26 -4.75 135.00 130.56 1w3i s PRO 266 Ca 0.43 1.71 -0.22 0.00 0.04 0.00 0.00 61.00 62.97 1w3i s PRO 266 Cb -0.15 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1w3i s PRO 266 CO 0.20 -1.27 1.32 -0.51 0.04 0.00 0.00 177.00 176.78 1w3i s LEU 267 N -4.34 3.87 0.76 -3.56 1.43 -1.26 -5.02 118.68 110.57 1w3i s LEU 267 Ca 0.75 2.67 -0.06 0.00 -1.03 0.00 0.00 54.13 56.45 1w3i s LEU 267 Cb -0.28 -4.28 0.12 0.00 0.03 0.00 0.00 46.19 41.78 1w3i s LEU 267 CO 0.35 -1.46 1.07 1.51 0.23 0.00 0.00 176.35 178.06 1w3i s ASP 268 N -1.04 4.25 0.25 2.29 1.47 -1.26 -4.80 116.67 117.83 1w3i s ASP 268 Ca 0.70 0.09 -0.05 0.00 1.18 0.00 0.00 52.55 54.47 1w3i s ASP 268 Cb -0.38 -0.51 0.27 0.00 -0.34 0.00 0.00 42.92 41.97 1w3i s ASP 268 CO 0.45 -1.95 1.86 -0.78 0.68 0.00 0.00 175.17 175.43 1w3i h ASP 269 N -0.79 1.04 -0.48 2.11 1.82 -1.99 0.11 116.42 118.24 1w3i h ASP 269 Ca -0.41 -0.11 -0.06 0.00 -0.39 0.00 0.00 57.03 56.05 1w3i h ASP 269 Cb 1.28 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 1w3i h ASP 269 CO 0.47 0.86 0.05 -0.08 -1.61 0.00 0.00 179.24 178.93 1w3i h GLU 270 N 1.15 0.82 -0.52 0.28 4.57 -1.99 -0.31 114.58 118.58 1w3i h GLU 270 Ca 0.28 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1w3i h GLU 270 Cb 0.08 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1w3i h GLU 270 CO -0.04 0.84 0.08 0.93 -1.18 0.00 0.00 179.01 179.64 1w3i h GLU 271 N 0.69 0.87 -0.56 1.92 5.08 -1.84 -1.80 114.58 118.95 1w3i h GLU 271 Ca 0.14 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1w3i h GLU 271 Cb 0.44 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1w3i h GLU 271 CO 0.02 0.86 0.35 1.49 -1.00 0.00 0.00 179.01 180.72 1w3i h GLU 272 N 0.75 0.68 -0.73 2.33 4.81 -0.79 -0.77 114.58 120.86 1w3i h GLU 272 Ca 0.16 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1w3i h GLU 272 Cb 0.41 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1w3i h GLU 272 CO 0.01 0.45 0.47 0.00 -0.73 0.00 0.00 179.01 179.22 1w3i h ARG 273 N 0.70 0.91 -0.60 1.92 3.08 -0.73 -0.51 114.38 119.16 1w3i h ARG 273 Ca 0.22 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 1w3i h ARG 273 Cb -0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1w3i h ARG 273 CO -0.08 0.60 0.02 1.96 -1.07 0.00 0.00 179.97 181.41 1w3i h GLN 274 N 0.94 1.04 -0.09 0.04 4.20 -1.01 -1.67 115.11 118.55 1w3i h GLN 274 Ca 0.28 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1w3i h GLN 274 Cb -0.04 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1w3i h GLN 274 CO -0.09 1.01 0.05 1.25 -0.67 0.00 0.00 178.83 180.38 1w3i h LEU 275 N 0.94 0.11 -1.02 1.46 5.85 -0.80 -2.11 115.31 119.74 1w3i h LEU 275 Ca 0.17 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1w3i h LEU 275 Cb 0.53 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1w3i h LEU 275 CO 0.03 0.15 0.15 0.40 -0.34 0.00 0.00 178.44 178.83 1w3i h ILE 276 N 0.07 1.23 -0.41 4.05 1.08 -1.02 -1.70 117.51 120.81 1w3i h ILE 276 Ca 0.03 -0.80 0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1w3i h ILE 276 Cb 0.06 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 1w3i h ILE 276 CO -0.01 0.30 0.27 0.11 -0.69 0.00 0.00 178.15 178.14 1w3i h LYS 277 N 0.84 0.46 0.00 2.37 1.79 -1.07 -0.34 116.57 120.61 1w3i h LYS 277 Ca 0.19 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.56 1w3i h LYS 277 Cb 0.28 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1w3i h LYS 277 CO -0.00 0.30 -0.34 0.87 -1.08 0.00 0.00 179.45 179.20 1w3i h LYS 278 N 0.47 0.00 -0.00 3.15 1.79 -0.62 -3.36 116.57 118.00 1w3i h LYS 278 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1w3i h LYS 278 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1w3i h LYS 278 CO -0.04 0.34 -0.27 1.33 -1.08 0.00 0.00 179.45 179.73 1w3i n VAL 279 N -3.36 0.00 0.15 0.50 0.24 -0.87 -4.68 118.33 110.31 1w3i n VAL 279 Ca 0.01 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1w3i n VAL 279 Cb 0.55 1.03 0.26 0.00 -1.47 0.00 0.00 33.84 34.21 1w3i n VAL 279 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1w3i h GLU 280 N 0.27 0.04 -0.23 7.34 4.11 -1.23 -0.29 114.58 124.59 1w3i h GLU 280 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1w3i h GLU 280 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1w3i h GLU 280 CO 0.00 0.51 0.06 0.78 0.07 0.00 0.00 179.01 180.43 1w3i h GLY 281 N 1.43 0.39 0.96 1.06 0.00 -1.83 -1.30 103.07 103.78 1w3i h GLY 281 Ca -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1w3i h GLY 281 CO 0.06 0.23 0.43 -2.22 0.00 0.00 0.00 176.54 175.05 1w3i h ILE 282 N 0.19 1.14 -0.63 2.60 2.04 -1.75 -0.73 117.51 120.37 1w3i h ILE 282 Ca 0.07 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1w3i h ILE 282 Cb 0.27 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 1w3i h ILE 282 CO 0.00 0.16 0.33 -0.09 0.00 0.00 0.00 178.15 178.54 1w3i h ARG 283 N 0.87 0.58 -0.51 2.37 2.43 -0.86 0.16 114.38 119.42 1w3i h ARG 283 Ca 0.25 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1w3i h ARG 283 Cb -0.06 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 1w3i h ARG 283 CO -0.07 0.38 0.33 0.00 -1.51 0.00 0.00 179.97 179.10 1w3i h ALA 284 N 1.35 0.64 -0.20 2.80 0.00 -0.69 -1.50 119.26 121.66 1w3i h ALA 284 Ca 0.29 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1w3i h ALA 284 Cb 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1w3i h ALA 284 CO -0.20 0.08 0.03 -0.22 0.00 0.00 0.00 179.25 178.93 1w3i h LYS 285 N 0.68 0.10 -0.28 0.00 1.63 -0.59 -1.06 116.57 117.04 1w3i h LYS 285 Ca 0.19 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1w3i h LYS 285 Cb -0.07 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 1w3i h LYS 285 CO -0.04 0.07 0.04 -0.07 -3.45 0.00 0.00 179.45 175.99 1w3i h LEU 286 N 0.10 0.37 -0.36 5.20 3.38 -0.73 -0.80 115.31 122.49 1w3i h LEU 286 Ca 0.09 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1w3i h LEU 286 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1w3i h LEU 286 CO -0.13 0.41 -0.23 0.58 0.09 0.00 0.00 178.44 179.16 1w3i h VAL 287 N 0.40 1.29 -0.69 1.22 2.07 -0.99 -0.91 116.25 118.64 1w3i h VAL 287 Ca 0.09 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1w3i h VAL 287 Cb 0.21 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1w3i h VAL 287 CO 0.00 0.45 0.35 -0.08 0.02 0.00 0.00 177.57 178.32 1w3i h GLU 288 N 0.57 0.97 0.00 1.57 4.81 -0.63 -1.99 114.58 119.89 1w3i h GLU 288 Ca 0.07 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1w3i h GLU 288 Cb 0.79 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1w3i h GLU 288 CO 0.06 0.73 0.00 1.28 -0.73 0.00 0.00 179.01 180.36 1w3i n LEU 289 N -4.35 0.00 -1.98 1.64 4.77 -0.36 -4.90 117.00 111.83 1w3i n LEU 289 Ca 0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.85 1w3i n LEU 289 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1w3i n LEU 289 CO 0.38 0.00 -0.23 0.29 -1.33 0.00 0.00 177.39 176.50 1w3i n LYS 290 N -0.92 -1.48 0.03 3.23 5.02 -0.75 -4.89 118.16 118.40 1w3i n LYS 290 Ca 0.19 1.02 -0.21 0.00 -2.02 0.00 0.00 58.31 57.29 1w3i n LYS 290 Cb 0.09 -5.52 -0.14 0.00 -0.02 0.00 0.00 35.03 29.44 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 1.17 -2.93 -0.18 2.04 -1.41 -3.45 117.51 112.76 1w3i h ILE 291 Ca -0.44 -2.46 -0.67 0.00 1.00 0.00 0.00 64.86 62.29 1w3i h ILE 291 Cb 1.32 2.87 -0.10 0.00 -0.74 0.00 0.00 36.82 40.16 1w3i h ILE 291 CO 0.56 0.72 -0.54 -0.76 0.00 0.00 0.00 178.15 178.12 1w3i s LEU 292 N -7.64 4.06 -0.06 1.44 1.43 -1.06 -4.90 118.68 111.96 1w3i s LEU 292 Ca -0.17 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 1w3i s LEU 292 Cb 0.03 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 1w3i s LEU 292 CO 0.80 0.38 0.51 0.11 0.23 0.00 0.00 176.35 178.37 1w3i h LYS 293 N 4.93 -0.35 0.00 1.70 1.79 -1.90 -3.38 116.57 119.37 1w3i h LYS 293 Ca -0.53 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1w3i h LYS 293 Cb 1.21 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1w3i h LYS 293 CO 0.57 -0.18 0.00 -0.85 -1.08 0.00 0.00 179.45 177.92