#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 1.38 -0.20 0.54 2.02 -0.06 -4.92 118.70 117.46 1w3i s GLU 3 Ca 0.00 -1.48 -0.06 0.00 0.02 0.00 0.00 54.97 53.44 1w3i s GLU 3 Cb 0.00 -1.49 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 1w3i s GLU 3 CO 0.00 0.30 0.04 0.42 0.02 0.00 0.00 175.26 176.04 1w3i s ILE 4 N -2.05 4.34 -0.10 -1.63 -1.09 -1.26 -1.56 121.20 117.86 1w3i s ILE 4 Ca 0.19 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.46 1w3i s ILE 4 Cb -0.06 -2.97 -0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1w3i s ILE 4 CO 0.08 0.43 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.36 1w3i s ILE 5 N 0.83 2.18 -0.25 2.92 1.01 0.02 -1.30 121.20 126.61 1w3i s ILE 5 Ca 0.02 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 1w3i s ILE 5 Cb -0.14 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1w3i s ILE 5 CO 0.02 0.56 0.47 -0.89 0.00 0.00 0.00 174.94 175.10 1w3i s THR 6 N 0.24 5.11 -0.81 2.92 2.01 -0.75 -1.14 115.64 123.22 1w3i s THR 6 Ca -0.15 0.80 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 1w3i s THR 6 Cb -0.17 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.59 1w3i s THR 6 CO 0.08 0.14 1.31 -2.16 -0.69 0.00 0.00 174.62 173.29 1w3i s PRO 7 N 2.04 3.30 0.28 4.92 0.04 -1.26 -0.51 135.00 143.80 1w3i s PRO 7 Ca 0.20 -0.52 -0.29 0.00 0.04 0.00 0.00 61.00 60.42 1w3i s PRO 7 Cb -0.16 -4.50 -0.10 0.00 0.04 0.00 0.00 34.50 29.79 1w3i s PRO 7 CO 0.09 -2.14 1.18 -1.50 0.04 0.00 0.00 177.00 174.67 1w3i s ILE 8 N 5.42 3.26 0.36 0.56 2.07 -0.53 -4.45 121.20 127.89 1w3i s ILE 8 Ca 0.37 1.22 -0.28 0.00 -1.41 0.00 0.00 60.65 60.55 1w3i s ILE 8 Cb -0.06 -3.78 -0.11 0.00 0.13 0.00 0.00 42.46 38.64 1w3i s ILE 8 CO 0.08 0.27 1.40 -0.63 -1.91 0.00 0.00 174.94 174.15 1w3i s ILE 9 N -0.92 2.37 -0.35 2.00 1.01 -1.26 -3.41 121.20 120.64 1w3i s ILE 9 Ca 0.48 0.37 -0.16 0.00 0.00 0.00 0.00 60.65 61.34 1w3i s ILE 9 Cb -0.35 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1w3i s ILE 9 CO 0.44 0.09 0.41 -0.89 0.00 0.00 0.00 174.94 174.98 1w3i s THR 10 N -1.14 5.12 0.07 2.92 2.01 -1.26 -4.92 115.64 118.44 1w3i s THR 10 Ca 0.51 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1w3i s THR 10 Cb -0.43 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1w3i s THR 10 CO 0.58 -0.14 0.94 -2.16 -0.69 0.00 0.00 174.62 173.14 1w3i s PRO 11 N 2.12 4.63 0.05 4.92 0.04 -1.26 -4.81 135.00 140.69 1w3i s PRO 11 Ca 0.14 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1w3i s PRO 11 Cb -0.16 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1w3i s PRO 11 CO 0.12 0.14 -0.01 -0.06 0.04 0.00 0.00 177.00 177.23 1w3i s PHE 12 N 0.31 2.99 0.94 0.56 0.40 -0.45 -1.06 117.98 121.67 1w3i s PHE 12 Ca 0.47 -0.00 -0.13 0.00 -0.60 0.00 0.00 56.93 56.67 1w3i s PHE 12 Cb -0.22 -1.58 0.16 0.00 0.51 0.00 0.00 43.02 41.88 1w3i s PHE 12 CO 0.28 0.46 1.15 0.95 0.70 0.00 0.00 175.22 178.76 1w3i s THR 13 N -1.19 1.96 0.55 0.64 -4.23 0.91 -1.14 115.64 113.15 1w3i s THR 13 Ca 0.22 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.98 1w3i s THR 13 Cb -0.12 -2.75 0.36 0.00 1.34 0.00 0.00 72.50 71.33 1w3i s THR 13 CO 0.14 0.00 2.07 0.11 -0.54 0.00 0.00 174.62 176.40 1w3i h LYS 14 N -1.61 0.00 -0.80 3.99 1.57 -1.98 -0.93 116.57 116.82 1w3i h LYS 14 Ca -0.49 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.03 1w3i h LYS 14 Cb 1.32 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 1w3i h LYS 14 CO 0.57 0.00 0.33 -0.40 -0.57 0.00 0.00 179.45 179.38 1w3i n ASP 15 N -4.20 4.69 -2.56 0.86 5.75 -1.26 -4.96 116.55 114.87 1w3i n ASP 15 Ca 0.04 -3.25 -0.18 0.00 -0.01 0.00 0.00 54.79 51.39 1w3i n ASP 15 Cb 0.39 -0.76 0.04 0.00 -1.03 0.00 0.00 41.12 39.76 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 -0.26 -5.29 -4.54 -1.12 5.15 -0.35 -5.03 115.26 103.82 1w3i n ASN 16 Ca 0.43 -0.27 -0.24 0.00 -0.60 0.00 0.00 54.58 53.90 1w3i n ASN 16 Cb 1.42 -4.09 -0.09 0.00 -0.53 0.00 0.00 39.78 36.49 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 -5.58 1.92 0.15 1.20 1.81 -1.26 -4.88 118.95 112.30 1w3i s ARG 17 Ca 0.29 -1.59 -0.31 0.00 -1.72 0.00 0.00 55.73 52.39 1w3i s ARG 17 Cb -0.13 -1.94 -0.10 0.00 -0.45 0.00 0.00 34.95 32.33 1w3i s ARG 17 CO 0.35 0.36 1.55 0.42 -0.68 0.00 0.00 175.30 177.30 1w3i s ILE 18 N -2.32 2.75 -0.76 1.52 1.01 -1.26 -0.06 121.20 122.08 1w3i s ILE 18 Ca 0.29 0.52 -0.19 0.00 0.00 0.00 0.00 60.65 61.27 1w3i s ILE 18 Cb -0.06 -3.33 0.12 0.00 0.01 0.00 0.00 42.46 39.20 1w3i s ILE 18 CO 0.16 0.04 0.93 -0.62 0.00 0.00 0.00 174.94 175.45 1w3i s ASP 19 N 1.24 6.42 0.29 3.58 -1.08 -0.23 -4.78 116.67 122.10 1w3i s ASP 19 Ca 0.70 -1.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 1w3i s ASP 19 Cb -0.42 -2.35 0.43 0.00 -1.46 0.00 0.00 42.92 39.11 1w3i s ASP 19 CO 0.31 -1.10 1.80 0.11 0.52 0.00 0.00 175.17 176.81 1w3i h LYS 20 N 8.97 0.71 -0.31 4.34 1.57 -1.92 -2.15 116.57 127.79 1w3i h LYS 20 Ca -0.07 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1w3i h LYS 20 Cb 1.05 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1w3i h LYS 20 CO 1.08 0.71 -0.11 0.93 -0.57 0.00 0.00 179.45 181.49 1w3i h GLU 21 N 0.67 0.61 -0.56 3.15 4.39 -1.98 -0.95 114.58 119.90 1w3i h GLU 21 Ca 0.14 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1w3i h GLU 21 Cb 0.39 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1w3i h GLU 21 CO 0.01 0.82 0.20 0.87 -1.16 0.00 0.00 179.01 179.75 1w3i h LYS 22 N 0.38 0.83 -0.43 2.33 1.57 -1.87 -2.26 116.57 117.11 1w3i h LYS 22 Ca 0.07 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1w3i h LYS 22 Cb 0.61 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1w3i h LYS 22 CO 0.04 0.70 0.10 1.25 -0.57 0.00 0.00 179.45 180.97 1w3i h LEU 23 N 0.81 0.65 -0.73 2.94 5.85 -1.20 -1.79 115.31 121.85 1w3i h LEU 23 Ca 0.19 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1w3i h LEU 23 Cb 0.20 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1w3i h LEU 23 CO -0.01 0.71 0.43 0.11 -0.34 0.00 0.00 178.44 179.34 1w3i h LYS 24 N 0.55 0.99 -0.22 1.25 1.57 -0.90 -0.53 116.57 119.28 1w3i h LYS 24 Ca 0.13 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1w3i h LYS 24 Cb 0.32 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1w3i h LYS 24 CO 0.00 0.71 0.07 0.82 -0.57 0.00 0.00 179.45 180.48 1w3i h ILE 25 N 0.99 0.94 -0.34 1.86 2.04 -1.27 -0.64 117.51 121.08 1w3i h ILE 25 Ca 0.26 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 1w3i h ILE 25 Cb -0.02 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1w3i h ILE 25 CO -0.05 0.03 0.20 -0.74 0.00 0.00 0.00 178.15 177.60 1w3i h HIS 26 N 0.17 0.45 -0.61 1.37 2.76 -1.00 -0.65 115.15 117.64 1w3i h HIS 26 Ca 0.10 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 1w3i h HIS 26 Cb 0.07 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1w3i h HIS 26 CO -0.13 0.33 0.31 0.00 -1.30 0.00 0.00 177.93 177.15 1w3i h ALA 27 N 1.08 0.78 -0.55 5.26 0.00 -0.97 -0.52 119.26 124.33 1w3i h ALA 27 Ca 0.12 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1w3i h ALA 27 Cb 0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1w3i h ALA 27 CO -0.02 0.32 0.23 0.93 0.00 0.00 0.00 179.25 180.71 1w3i h GLU 28 N 0.83 0.42 -0.41 0.00 5.08 -0.64 -1.86 114.58 117.99 1w3i h GLU 28 Ca 0.21 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1w3i h GLU 28 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1w3i h GLU 28 CO -0.03 0.28 0.05 -0.97 -1.00 0.00 0.00 179.01 177.33 1w3i h ASN 29 N 0.43 0.67 -0.29 1.42 -1.24 -0.43 -1.49 115.58 114.65 1w3i h ASN 29 Ca 0.26 -0.28 0.01 0.00 0.71 0.00 0.00 56.30 57.00 1w3i h ASN 29 Cb 0.26 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 1w3i h ASN 29 CO -0.24 0.78 0.17 -0.07 -1.29 0.00 0.00 177.43 176.78 1w3i h LEU 30 N 0.54 0.29 -0.76 0.34 3.38 -0.86 -1.44 115.31 116.79 1w3i h LEU 30 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1w3i h LEU 30 Cb 0.41 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1w3i h LEU 30 CO 0.01 0.21 0.44 0.40 0.09 0.00 0.00 178.44 179.59 1w3i h ILE 31 N 0.36 1.22 -0.35 1.22 1.08 -1.23 -2.45 117.51 117.36 1w3i h ILE 31 Ca 0.11 -0.53 -0.03 0.00 -0.39 0.00 0.00 64.86 64.02 1w3i h ILE 31 Cb -0.02 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 33.90 1w3i h ILE 31 CO -0.04 0.24 0.09 -0.09 -0.69 0.00 0.00 178.15 177.66 1w3i h ARG 32 N 1.05 0.51 -0.27 2.37 2.43 -0.97 -2.01 114.38 117.49 1w3i h ARG 32 Ca 0.27 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1w3i h ARG 32 Cb 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1w3i h ARG 32 CO -0.05 0.47 0.00 1.63 -1.51 0.00 0.00 179.97 180.51 1w3i n LYS 33 N -4.35 1.63 -0.13 0.20 5.02 -0.57 -4.90 118.16 115.06 1w3i n LYS 33 Ca 0.02 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.33 1w3i n LYS 33 Cb 0.17 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.94 0.84 3.75 0.72 0.00 -0.76 -4.71 105.19 105.97 1w3i n GLY 34 Ca 0.09 0.00 -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 -2.07 2.61 0.07 -0.61 -1.09 -0.96 -4.89 121.20 114.26 1w3i s ILE 35 Ca 0.00 0.52 -0.18 0.00 -2.23 0.00 0.00 60.65 58.76 1w3i s ILE 35 Cb 0.00 -3.33 -0.12 0.00 -1.58 0.00 0.00 42.46 37.43 1w3i s ILE 35 CO 0.00 0.09 1.36 0.44 -1.23 0.00 0.00 174.94 175.60 1w3i h ASP 36 N 4.92 0.58 -5.04 3.58 3.32 -1.54 -3.43 116.42 118.80 1w3i h ASP 36 Ca -0.46 -0.50 -0.05 0.00 0.02 0.00 0.00 57.03 56.04 1w3i h ASP 36 Cb 1.22 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 1w3i h ASP 36 CO 0.77 0.96 0.01 -0.54 -1.72 0.00 0.00 179.24 178.72 1w3i s LYS 37 N -4.24 1.09 -0.11 3.56 1.02 -1.25 -4.92 119.74 114.89 1w3i s LYS 37 Ca -0.13 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.39 1w3i s LYS 37 Cb 0.07 0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 37.85 1w3i s LYS 37 CO 0.80 -0.42 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.13 1w3i s LEU 38 N -2.47 2.54 -0.31 3.17 1.43 0.26 -1.82 118.68 121.49 1w3i s LEU 38 Ca -0.01 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.62 1w3i s LEU 38 Cb 0.00 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1w3i s LEU 38 CO -0.08 0.19 0.16 0.12 0.23 0.00 0.00 176.35 176.97 1w3i s PHE 39 N 0.19 3.18 -0.14 0.29 5.36 0.34 -0.82 117.98 126.37 1w3i s PHE 39 Ca -0.10 -0.45 -0.05 0.00 -0.96 0.00 0.00 56.93 55.37 1w3i s PHE 39 Cb -0.16 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.13 1w3i s PHE 39 CO 0.06 -0.41 0.04 0.08 -1.46 0.00 0.00 175.22 173.53 1w3i s VAL 40 N 1.64 4.61 -0.70 3.12 1.01 -0.25 -1.45 120.40 128.38 1w3i s VAL 40 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1w3i s VAL 40 Cb -0.17 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1w3i s VAL 40 CO 0.07 0.53 0.19 0.59 0.00 0.00 0.00 175.10 176.47 1w3i n ASN 41 N 2.92 -3.39 -2.30 3.32 3.02 -1.26 -1.06 115.26 116.50 1w3i n ASN 41 Ca -0.18 -0.09 -0.04 0.00 -0.03 0.00 0.00 54.58 54.25 1w3i n ASN 41 Cb 0.53 -2.41 0.02 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 -1.06 -0.25 0.18 7.41 0.00 -1.26 -3.92 105.19 106.29 1w3i n GLY 42 Ca -0.07 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.77 0.97 0.00 2.61 2.02 -1.95 -0.11 112.91 115.67 1w3i h THR 43 Ca -0.05 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1w3i h THR 43 Cb 0.16 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1w3i h THR 43 CO 0.04 0.08 -0.13 0.74 0.37 0.00 0.00 175.52 176.62 1w3i h THR 44 N 0.43 1.01 -0.30 3.16 2.02 -1.89 -0.22 112.91 117.12 1w3i h THR 44 Ca 0.18 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1w3i h THR 44 Cb 0.09 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1w3i h THR 44 CO -0.13 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1w3i n GLY 45 N -1.09 0.73 3.86 2.16 0.00 -0.94 -4.42 105.19 105.49 1w3i n GLY 45 Ca -0.03 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 0.38 -2.58 -0.18 0.99 4.77 -0.10 -4.19 117.00 116.09 1w3i n LEU 46 Ca 0.10 -0.74 -0.03 0.00 -0.03 0.00 0.00 56.01 55.32 1w3i n LEU 46 Cb 0.33 -2.59 0.03 0.00 -2.33 0.00 0.00 43.42 38.86 1w3i n LEU 46 CO 0.08 0.47 0.70 1.23 -1.33 0.00 0.00 177.39 178.54 1w3i h GLY 47 N -2.09 0.20 1.93 -0.72 0.00 -1.15 0.11 103.07 101.34 1w3i h GLY 47 Ca -0.57 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1w3i h GLY 47 CO 0.66 -0.22 0.03 -2.55 0.00 0.00 0.00 176.54 174.46 1w3i h PRO 48 N -0.08 0.00 -0.02 4.80 0.11 -1.83 -1.13 132.00 133.85 1w3i h PRO 48 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1w3i h PRO 48 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1w3i h PRO 48 CO -0.61 0.00 -0.17 0.43 -0.21 0.00 0.00 178.00 177.44 1w3i n SER 49 N -2.53 1.75 -4.83 -2.05 7.64 0.37 -4.89 113.62 109.08 1w3i n SER 49 Ca -0.02 -1.41 -0.36 0.00 1.01 0.00 0.00 58.87 58.09 1w3i n SER 49 Cb 0.08 0.14 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 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 -2.25 4.30 0.86 -3.43 1.43 -0.43 -5.10 118.68 114.06 1w3i s LEU 50 Ca 0.28 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.66 1w3i s LEU 50 Cb 0.20 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.46 1w3i s LEU 50 CO 0.43 0.34 1.11 -0.94 0.23 0.00 0.00 176.35 177.51 1w3i s SER 51 N -0.58 3.67 0.28 2.29 1.04 -1.26 -4.74 113.70 114.40 1w3i s SER 51 Ca 0.13 1.87 0.01 0.00 0.48 0.00 0.00 55.95 58.43 1w3i s SER 51 Cb -0.12 -2.47 0.59 0.00 0.10 0.00 0.00 66.02 64.13 1w3i s SER 51 CO 0.02 -2.57 1.78 -0.65 0.98 0.00 0.00 173.24 172.80 1w3i h PRO 52 N -1.50 0.69 -0.88 4.02 0.11 -1.96 0.36 132.00 132.85 1w3i h PRO 52 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1w3i h PRO 52 Cb 1.26 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1w3i h PRO 52 CO 0.49 0.46 0.54 0.93 -0.21 0.00 0.00 178.00 180.21 1w3i h GLU 53 N 0.71 1.18 -0.44 1.05 3.07 -1.99 -1.86 114.58 116.31 1w3i h GLU 53 Ca 0.50 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 59.13 1w3i h GLU 53 Cb 0.70 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1w3i h GLU 53 CO -0.35 0.82 -0.24 0.93 -1.40 0.00 0.00 179.01 178.76 1w3i h GLU 54 N 1.20 0.94 -0.92 2.33 5.08 -1.67 -0.76 114.58 120.78 1w3i h GLU 54 Ca 0.32 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1w3i h GLU 54 Cb -0.07 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 1w3i h GLU 54 CO -0.06 1.09 0.60 0.87 -1.00 0.00 0.00 179.01 180.50 1w3i h LYS 55 N 0.77 1.07 -0.30 2.33 1.57 -0.54 -0.61 116.57 120.86 1w3i h LYS 55 Ca 0.09 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1w3i h LYS 55 Cb 0.82 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1w3i h LYS 55 CO 0.07 0.70 -0.23 1.25 -0.57 0.00 0.00 179.45 180.67 1w3i h LEU 56 N 1.10 0.72 -0.80 2.94 5.85 -1.09 -2.67 115.31 121.35 1w3i h LEU 56 Ca 0.38 -0.45 0.10 0.00 0.84 0.00 0.00 57.88 58.76 1w3i h LEU 56 Cb 0.11 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 1w3i h LEU 56 CO -0.13 1.01 0.44 -0.08 -0.34 0.00 0.00 178.44 179.34 1w3i h GLU 57 N 0.43 0.69 -0.28 1.25 4.81 -0.58 0.44 114.58 121.35 1w3i h GLU 57 Ca 0.06 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1w3i h GLU 57 Cb 0.79 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1w3i h GLU 57 CO 0.06 0.46 0.17 -0.91 -0.73 0.00 0.00 179.01 178.06 1w3i h ASN 58 N 0.71 0.29 -0.42 1.04 2.35 -1.06 -1.33 115.58 117.16 1w3i h ASN 58 Ca 0.40 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.16 1w3i h ASN 58 Cb 0.42 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1w3i h ASN 58 CO -0.27 0.21 0.25 0.25 -1.65 0.00 0.00 177.43 176.22 1w3i h LEU 59 N 0.35 0.40 -0.50 1.61 5.85 -0.98 -1.98 115.31 120.06 1w3i h LEU 59 Ca 0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1w3i h LEU 59 Cb -0.02 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1w3i h LEU 59 CO -0.03 0.29 0.31 0.11 -0.34 0.00 0.00 178.44 178.78 1w3i h LYS 60 N 0.50 0.67 -0.17 1.25 1.57 -0.58 -0.14 116.57 119.68 1w3i h LYS 60 Ca 0.17 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1w3i h LYS 60 Cb 0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1w3i h LYS 60 CO -0.08 0.48 0.10 0.00 -0.57 0.00 0.00 179.45 179.37 1w3i h ALA 61 N 1.16 0.20 -0.32 3.86 0.00 -0.99 -2.66 119.26 120.51 1w3i h ALA 61 Ca 0.18 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1w3i h ALA 61 Cb -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1w3i h ALA 61 CO -0.04 -0.33 -0.21 0.28 0.00 0.00 0.00 179.25 178.95 1w3i h VAL 62 N 0.20 1.26 0.00 0.00 2.07 -1.09 -2.75 116.25 115.95 1w3i h VAL 62 Ca 0.06 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1w3i h VAL 62 Cb -0.01 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1w3i h VAL 62 CO -0.03 0.41 -0.01 0.22 0.02 0.00 0.00 177.57 178.18 1w3i h TYR 63 N 0.55 0.00 0.00 1.57 3.20 -0.88 0.12 116.97 121.53 1w3i h TYR 63 Ca 0.08 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1w3i h TYR 63 Cb 0.66 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1w3i h TYR 63 CO 0.03 0.01 -0.15 -0.44 -1.64 0.00 0.00 178.16 175.97 1w3i h ASP 64 N 0.00 0.00 0.10 -2.11 3.32 -1.15 -3.24 116.42 113.33 1w3i h ASP 64 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1w3i h ASP 64 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1w3i h ASP 64 CO 0.00 0.15 -1.97 0.52 -1.72 0.00 0.00 179.24 176.23 1w3i n VAL 65 N -3.61 1.72 -3.55 -1.35 0.31 0.33 -5.06 118.33 107.13 1w3i n VAL 65 Ca -0.01 -0.57 -0.14 0.00 -0.01 0.00 0.00 64.34 63.60 1w3i n VAL 65 Cb 0.28 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 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 -2.53 0.02 -0.98 2.52 -1.32 -0.72 -5.01 115.64 107.62 1w3i s THR 66 Ca -0.25 -0.19 0.26 0.00 -1.21 0.00 0.00 61.69 60.30 1w3i s THR 66 Cb 0.07 -0.98 0.07 0.00 -1.51 0.00 0.00 72.50 70.15 1w3i s THR 66 CO 0.73 -0.11 1.55 0.59 -2.21 0.00 0.00 174.62 175.17 1w3i n ASN 67 N 0.39 0.38 -3.62 8.08 5.03 -1.26 -4.15 115.26 120.11 1w3i n ASN 67 Ca -0.18 -0.04 -0.41 0.00 0.87 0.00 0.00 54.58 54.82 1w3i n ASN 67 Cb 0.60 0.05 -0.01 0.00 -1.02 0.00 0.00 39.78 39.40 1w3i n ASN 67 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1w3i n LYS 68 N -1.53 3.62 -4.86 3.52 4.76 -1.26 -3.55 118.16 118.86 1w3i n LYS 68 Ca 0.06 -2.95 -0.25 0.00 -2.87 0.00 0.00 58.31 52.30 1w3i n LYS 68 Cb 0.34 -2.94 -0.16 0.00 -1.84 0.00 0.00 35.03 30.44 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 1.27 1.42 -0.21 -0.18 1.01 -1.26 -0.57 121.20 122.68 1w3i s ILE 69 Ca 0.52 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 1w3i s ILE 69 Cb 0.15 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1w3i s ILE 69 CO -0.06 0.40 -0.05 -0.63 0.00 0.00 0.00 174.94 174.60 1w3i s ILE 70 N -0.34 3.35 -0.41 2.92 1.01 0.00 -0.64 121.20 127.10 1w3i s ILE 70 Ca 0.05 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 1w3i s ILE 70 Cb -0.08 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1w3i s ILE 70 CO -0.00 0.44 0.30 0.12 0.00 0.00 0.00 174.94 175.80 1w3i s PHE 71 N 1.31 3.24 0.03 3.97 5.36 -0.10 -1.09 117.98 130.70 1w3i s PHE 71 Ca 0.04 -0.72 -0.26 0.00 -0.96 0.00 0.00 56.93 55.02 1w3i s PHE 71 Cb -0.14 -2.66 -0.05 0.00 -0.34 0.00 0.00 43.02 39.83 1w3i s PHE 71 CO -0.02 -0.64 0.82 -1.14 -1.46 0.00 0.00 175.22 172.78 1w3i s GLN 72 N 1.65 4.53 0.00 10.12 -0.44 -0.23 -0.75 119.66 134.55 1w3i s GLN 72 Ca 0.04 1.16 0.00 0.00 -2.50 0.00 0.00 55.36 54.06 1w3i s GLN 72 Cb -0.20 -3.40 0.00 0.00 -1.64 0.00 0.00 33.01 27.77 1w3i s GLN 72 CO 0.09 0.17 0.26 1.33 0.50 0.00 0.00 175.29 177.64 1w3i n VAL 73 N 3.18 0.00 -1.62 1.34 0.24 -0.24 -4.72 118.33 116.51 1w3i n VAL 73 Ca 0.00 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 1w3i n VAL 73 Cb 0.50 1.47 0.09 0.00 -1.47 0.00 0.00 33.84 34.43 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 -0.00 1.62 0.00 7.63 0.00 -1.26 -4.40 107.32 110.90 1w3i s GLY 74 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1w3i s GLY 74 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.86 1w3i n GLY 75 N -2.31 -1.44 0.90 0.20 0.00 -1.26 -4.95 105.19 96.33 1w3i n GLY 75 Ca 0.07 -1.01 0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 2.65 -4.02 0.99 4.77 -1.26 -4.50 117.00 115.64 1w3i n LEU 76 Ca 0.00 -1.25 -0.31 0.00 -0.03 0.00 0.00 56.01 54.42 1w3i n LEU 76 Cb 0.00 -0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 40.67 1w3i n LEU 76 CO 0.00 0.62 -0.37 0.21 -1.33 0.00 0.00 177.39 176.53 1w3i s ASN 77 N -1.22 4.62 0.39 -1.43 3.84 -1.26 -4.99 114.94 114.89 1w3i s ASN 77 Ca 0.35 -1.90 0.10 0.00 0.21 0.00 0.00 52.86 51.61 1w3i s ASN 77 Cb 0.19 -1.56 0.78 0.00 -0.55 0.00 0.00 41.25 40.11 1w3i s ASN 77 CO 0.26 -0.33 1.92 0.25 -2.79 0.00 0.00 177.10 176.41 1w3i h LEU 78 N 7.68 0.22 -1.06 3.21 5.85 -2.00 -1.59 115.31 127.62 1w3i h LEU 78 Ca -0.09 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1w3i h LEU 78 Cb 1.03 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 1w3i h LEU 78 CO 0.50 0.38 0.62 0.44 -0.34 0.00 0.00 178.44 180.04 1w3i h ASP 79 N 0.23 0.95 0.03 1.25 3.32 -1.96 0.16 116.42 120.39 1w3i h ASP 79 Ca 0.05 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 1w3i h ASP 79 Cb 0.37 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1w3i h ASP 79 CO 0.02 0.57 -0.59 0.44 -1.72 0.00 0.00 179.24 177.96 1w3i h ASP 80 N 1.06 0.65 -0.27 6.45 3.32 -1.71 -0.98 116.42 124.93 1w3i h ASP 80 Ca 0.44 -0.36 -0.18 0.00 0.02 0.00 0.00 57.03 56.95 1w3i h ASP 80 Cb 0.31 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1w3i h ASP 80 CO -0.20 1.09 -0.53 0.00 -1.72 0.00 0.00 179.24 177.89 1w3i h ALA 81 N 0.91 0.50 -0.64 3.45 0.00 -1.00 -1.59 119.26 120.89 1w3i h ALA 81 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1w3i h ALA 81 Cb 1.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1w3i h ALA 81 CO 0.11 0.68 0.41 0.82 0.00 0.00 0.00 179.25 181.27 1w3i h ILE 82 N 0.66 1.18 -0.58 0.00 2.04 -0.59 0.12 117.51 120.34 1w3i h ILE 82 Ca 0.02 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1w3i h ILE 82 Cb 1.13 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1w3i h ILE 82 CO 0.12 0.18 0.34 -0.09 0.00 0.00 0.00 178.15 178.70 1w3i h ARG 83 N 0.87 0.79 -0.61 2.37 2.43 -1.00 0.91 114.38 120.15 1w3i h ARG 83 Ca 0.23 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1w3i h ARG 83 Cb -0.06 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1w3i h ARG 83 CO -0.05 0.58 0.23 -0.07 -1.51 0.00 0.00 179.97 179.15 1w3i h LEU 84 N 0.78 0.85 -0.51 3.80 3.38 -0.98 -0.71 115.31 121.92 1w3i h LEU 84 Ca 0.21 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1w3i h LEU 84 Cb -0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1w3i h LEU 84 CO -0.04 0.80 0.33 0.00 0.09 0.00 0.00 178.44 179.62 1w3i h ALA 85 N 1.08 0.64 -0.55 1.53 0.00 -0.36 -2.02 119.26 119.59 1w3i h ALA 85 Ca 0.20 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1w3i h ALA 85 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1w3i h ALA 85 CO -0.01 0.08 -0.02 0.87 0.00 0.00 0.00 179.25 180.16 1w3i h LYS 86 N 0.68 0.97 0.00 0.00 1.57 -0.64 -2.64 116.57 116.51 1w3i h LYS 86 Ca 0.19 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1w3i h LYS 86 Cb -0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1w3i h LYS 86 CO -0.05 0.97 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.59 1w3i h LEU 87 N 0.89 0.00 -0.40 2.94 3.38 -0.77 -2.04 115.31 119.30 1w3i h LEU 87 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1w3i h LEU 87 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1w3i h LEU 87 CO 0.03 0.14 0.00 -1.54 0.09 0.00 0.00 178.44 177.16 1w3i n SER 88 N -3.62 0.29 -0.02 -0.43 3.41 -0.79 -2.51 113.62 109.95 1w3i n SER 88 Ca -0.02 0.59 0.17 0.00 -0.26 0.00 0.00 58.87 59.36 1w3i n SER 88 Cb 0.27 -0.64 0.63 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 0.12 -0.05 4.33 2.10 -1.48 -1.69 116.57 119.90 1w3i h LYS 89 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1w3i h LYS 89 Cb 0.23 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 1w3i h LYS 89 CO 0.00 0.08 0.00 -0.25 -2.00 0.00 0.00 179.45 177.28 1w3i n ASP 90 N -4.42 0.55 -4.15 7.07 8.00 -1.04 -4.77 116.55 117.79 1w3i n ASP 90 Ca 0.10 -1.51 -0.30 0.00 0.71 0.00 0.00 54.79 53.79 1w3i n ASP 90 Cb 0.53 -0.03 -0.17 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.93 2.26 -1.47 1.24 0.40 -0.64 -5.04 117.98 112.80 1w3i s PHE 91 Ca 0.29 -0.95 -0.09 0.00 -0.60 0.00 0.00 56.93 55.59 1w3i s PHE 91 Cb 0.14 -1.54 0.03 0.00 0.51 0.00 0.00 43.02 42.16 1w3i s PHE 91 CO 0.23 -0.41 2.54 -0.25 0.70 0.00 0.00 175.22 178.03 1w3i n ASP 92 N 3.70 7.37 -4.99 1.36 8.00 -1.26 -4.94 116.55 125.79 1w3i n ASP 92 Ca -0.20 -2.86 -0.21 0.00 0.71 0.00 0.00 54.79 52.23 1w3i n ASP 92 Cb 0.52 -1.50 0.03 0.00 -0.02 0.00 0.00 41.12 40.15 1w3i n ASP 92 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1w3i s ILE 93 N 1.06 2.11 0.04 0.53 -4.36 -1.26 -4.74 121.20 114.58 1w3i s ILE 93 Ca 0.58 -1.16 -0.18 0.00 -0.26 0.00 0.00 60.65 59.64 1w3i s ILE 93 Cb 0.17 -2.27 -0.19 0.00 1.25 0.00 0.00 42.46 41.41 1w3i s ILE 93 CO -0.07 0.00 1.20 0.58 0.24 0.00 0.00 174.94 176.90 1w3i h VAL 94 N 0.43 1.37 -1.81 8.37 2.07 -0.93 -3.48 116.25 122.27 1w3i h VAL 94 Ca -0.33 -1.93 0.34 0.00 0.82 0.00 0.00 66.70 65.60 1w3i h VAL 94 Cb 1.29 2.28 -0.09 0.00 -1.52 0.00 0.00 31.29 33.25 1w3i h VAL 94 CO 0.47 0.58 0.88 -0.83 0.02 0.00 0.00 177.57 178.69 1w3i s GLY 95 N -4.00 -0.25 0.38 2.17 0.00 -1.15 -4.32 107.32 100.15 1w3i s GLY 95 Ca -0.12 0.33 0.08 0.00 0.00 0.00 0.00 44.72 45.01 1w3i s GLY 95 CO 0.84 3.30 0.14 -0.26 0.00 0.00 0.00 173.10 177.12 1w3i s ILE 96 N -2.16 2.51 0.08 0.90 -4.36 -0.22 -0.92 121.20 117.02 1w3i s ILE 96 Ca 0.23 -1.75 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 1w3i s ILE 96 Cb 0.02 -2.95 0.01 0.00 1.25 0.00 0.00 42.46 40.79 1w3i s ILE 96 CO -0.02 -0.08 0.27 0.00 0.24 0.00 0.00 174.94 175.35 1w3i s ALA 97 N -2.55 -0.52 -0.07 2.27 0.00 0.07 -0.42 121.76 120.54 1w3i s ALA 97 Ca 0.39 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 1w3i s ALA 97 Cb 0.02 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1w3i s ALA 97 CO 0.22 -0.49 0.24 0.45 0.00 0.00 0.00 175.76 176.18 1w3i s SER 98 N -2.51 -0.21 0.81 0.00 0.15 -0.97 -1.08 113.70 109.88 1w3i s SER 98 Ca 0.00 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 1w3i s SER 98 Cb 0.02 0.45 0.08 0.00 -1.71 0.00 0.00 66.02 64.85 1w3i s SER 98 CO -0.08 -0.16 1.14 -0.72 1.20 0.00 0.00 173.24 174.62 1w3i s TYR 99 N -0.20 2.89 0.60 3.44 -0.85 -1.26 -1.13 117.35 120.84 1w3i s TYR 99 Ca -0.03 0.92 -0.17 0.00 -0.52 0.00 0.00 57.07 57.27 1w3i s TYR 99 Cb -0.03 -3.31 -0.03 0.00 0.38 0.00 0.00 41.96 38.97 1w3i s TYR 99 CO 0.01 -1.81 1.10 0.00 -1.52 0.00 0.00 175.55 173.33 1w3i s ALA 100 N -3.37 2.63 -0.04 9.51 0.00 -1.25 -4.78 121.76 124.46 1w3i s ALA 100 Ca 0.61 0.59 -0.36 0.00 0.00 0.00 0.00 51.96 52.81 1w3i s ALA 100 Cb -0.13 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 1w3i s ALA 100 CO 0.52 -0.94 1.71 -2.30 0.00 0.00 0.00 175.76 174.75 1w3i n PRO 101 N -1.89 1.85 -1.89 0.00 -0.02 -1.26 -4.91 135.00 126.87 1w3i n PRO 101 Ca 0.10 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 62.17 1w3i n PRO 101 Cb 0.52 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 5.06 -2.69 0.00 6.00 0.18 -1.26 -4.74 117.16 119.71 1w3i n TYR 102 Ca 0.21 -0.97 0.00 0.00 1.88 0.00 0.00 57.90 59.03 1w3i n TYR 102 Cb 0.25 -0.26 0.00 0.00 -0.38 0.00 0.00 39.34 38.95 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 -1.59 0.00 -1.91 -3.48 9.36 -1.25 -4.90 117.16 113.39 1w3i n TYR 103 Ca 0.08 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.87 1w3i n TYR 103 Cb 0.27 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.96 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 1.76 0.81 2.98 1.51 -1.26 -4.99 117.35 118.16 1w3i s TYR 104 Ca 0.00 0.13 -0.11 0.00 -1.01 0.00 0.00 57.07 56.08 1w3i s TYR 104 Cb 0.00 -4.01 0.08 0.00 -0.11 0.00 0.00 41.96 37.92 1w3i s TYR 104 CO 0.00 -4.12 1.09 -2.14 -1.11 0.00 0.00 175.55 169.27 1w3i s PRO 105 N 4.48 1.96 -1.44 -1.71 0.02 -1.26 -4.34 135.00 132.71 1w3i s PRO 105 Ca 0.79 0.74 -0.11 0.00 0.02 0.00 0.00 61.00 62.44 1w3i s PRO 105 Cb -0.34 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.33 1w3i s PRO 105 CO 0.33 -1.73 1.08 0.54 -0.33 0.00 0.00 177.00 176.88 1w3i n ARG 106 N -3.52 -6.76 -2.61 5.54 5.12 -1.26 -4.96 116.66 108.21 1w3i n ARG 106 Ca 0.07 0.72 -0.41 0.00 -1.93 0.00 0.00 57.85 56.30 1w3i n ARG 106 Cb 0.56 -5.69 -0.04 0.00 -1.16 0.00 0.00 32.46 26.13 1w3i n ARG 106 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 1w3i s MET 107 N -6.43 4.60 0.63 5.56 -1.94 -1.26 -5.03 119.30 115.43 1w3i s MET 107 Ca 0.60 1.58 -0.17 0.00 -1.71 0.00 0.00 55.69 55.99 1w3i s MET 107 Cb -0.28 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.19 1w3i s MET 107 CO 0.78 0.05 1.15 -1.54 -0.01 0.00 0.00 175.02 175.45 1w3i s SER 108 N 0.31 5.15 0.25 3.03 1.04 -1.26 -4.86 113.70 117.35 1w3i s SER 108 Ca 0.50 2.17 -0.04 0.00 0.48 0.00 0.00 55.95 59.07 1w3i s SER 108 Cb -0.26 -2.57 0.40 0.00 0.10 0.00 0.00 66.02 63.69 1w3i s SER 108 CO 0.31 -1.61 1.83 -0.08 0.98 0.00 0.00 173.24 174.67 1w3i h GLU 109 N 0.46 0.86 -0.80 4.02 4.81 -1.99 -1.53 114.58 120.40 1w3i h GLU 109 Ca -0.48 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1w3i h GLU 109 Cb 1.27 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1w3i h GLU 109 CO 0.54 0.57 0.46 0.87 -0.73 0.00 0.00 179.01 180.72 1w3i h LYS 110 N 0.88 1.10 -0.13 1.92 1.57 -1.99 0.49 116.57 120.42 1w3i h LYS 110 Ca 0.41 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.88 1w3i h LYS 110 Cb 0.32 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1w3i h LYS 110 CO -0.23 0.79 -0.71 0.45 -0.57 0.00 0.00 179.45 179.18 1w3i h HIS 111 N 1.11 0.74 -0.46 -1.35 3.86 -1.77 -1.19 115.15 116.09 1w3i h HIS 111 Ca 0.29 -0.32 -0.04 0.00 -1.16 0.00 0.00 60.37 59.14 1w3i h HIS 111 Cb -0.01 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1w3i h HIS 111 CO 0.01 1.09 0.13 -0.07 0.86 0.00 0.00 177.93 179.95 1w3i h LEU 112 N 0.39 0.69 -0.56 2.43 3.38 -0.74 -1.36 115.31 119.55 1w3i h LEU 112 Ca -0.03 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1w3i h LEU 112 Cb 1.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1w3i h LEU 112 CO 0.13 0.72 0.20 0.58 0.09 0.00 0.00 178.44 180.16 1w3i h VAL 113 N 0.62 1.23 -0.72 1.22 2.07 -0.86 -2.78 116.25 117.04 1w3i h VAL 113 Ca 0.15 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1w3i h VAL 113 Cb 0.29 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1w3i h VAL 113 CO -0.00 0.29 0.25 0.50 0.02 0.00 0.00 177.57 178.62 1w3i h LYS 114 N 0.78 1.10 -0.17 1.57 3.64 -1.01 0.88 116.57 123.36 1w3i h LYS 114 Ca 0.18 -0.22 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1w3i h LYS 114 Cb 0.25 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1w3i h LYS 114 CO -0.01 0.93 -0.22 -0.92 -2.27 0.00 0.00 179.45 176.96 1w3i h TYR 115 N 1.05 -0.57 -0.36 1.91 3.20 -1.10 -0.47 116.97 120.64 1w3i h TYR 115 Ca 0.23 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.97 1w3i h TYR 115 Cb 0.27 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1w3i h TYR 115 CO 0.02 -0.29 -0.43 0.74 -1.64 0.00 0.00 178.16 176.56 1w3i h PHE 116 N -0.26 1.11 -0.32 -3.82 -1.00 -1.16 -2.62 116.94 108.87 1w3i h PHE 116 Ca 0.11 -0.35 -0.05 0.00 2.81 0.00 0.00 57.97 60.49 1w3i h PHE 116 Cb 0.42 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1w3i h PHE 116 CO -0.34 1.18 -0.02 0.87 -1.61 0.00 0.00 178.31 178.39 1w3i h LYS 117 N 0.74 0.50 -0.40 1.51 1.57 -0.72 -0.50 116.57 119.27 1w3i h LYS 117 Ca 0.05 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1w3i h LYS 117 Cb 1.03 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1w3i h LYS 117 CO 0.10 0.54 0.13 1.15 -0.57 0.00 0.00 179.45 180.80 1w3i h THR 118 N 0.48 1.21 -0.58 -0.16 2.02 -0.92 -0.56 112.91 114.39 1w3i h THR 118 Ca 0.10 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1w3i h THR 118 Cb 0.34 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1w3i h THR 118 CO 0.01 0.24 0.07 -0.07 0.37 0.00 0.00 175.52 176.15 1w3i h LEU 119 N 0.50 0.92 -0.83 2.58 3.38 -1.03 -2.79 115.31 118.04 1w3i h LEU 119 Ca 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1w3i h LEU 119 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1w3i h LEU 119 CO -0.01 0.94 0.26 0.00 0.09 0.00 0.00 178.44 179.72 1w3i h GLU 121 N 1.08 0.29 -0.01 0.00 5.08 -0.85 -2.94 114.58 117.24 1w3i h GLU 121 Ca 0.24 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1w3i h GLU 121 Cb 0.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1w3i h GLU 121 CO -0.01 0.37 -0.71 1.33 -1.00 0.00 0.00 179.01 178.98 1w3i n VAL 122 N -4.32 0.00 -2.53 3.13 0.24 -1.06 -4.97 118.33 108.82 1w3i n VAL 122 Ca -0.00 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.34 61.79 1w3i n VAL 122 Cb 0.23 0.93 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 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 -2.80 7.15 0.00 -1.34 0.15 -0.71 -4.49 113.70 111.67 1w3i s SER 123 Ca 0.13 1.81 0.31 0.00 0.70 0.00 0.00 55.95 58.90 1w3i s SER 123 Cb 0.17 -2.57 1.74 0.00 -1.71 0.00 0.00 66.02 63.65 1w3i s SER 123 CO 0.73 -0.47 2.14 -0.81 1.20 0.00 0.00 173.24 176.03 1w3i n PRO 124 N 4.53 1.06 -4.24 5.44 -0.04 -1.26 -4.88 135.00 135.60 1w3i n PRO 124 Ca 0.09 -0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 1w3i n PRO 124 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.04 1.21 0.53 0.54 3.76 -1.26 -4.98 115.29 113.05 1w3i s HIS 125 Ca 0.45 -0.96 -0.21 0.00 -0.15 0.00 0.00 55.06 54.20 1w3i s HIS 125 Cb 0.22 -0.68 -0.07 0.00 1.11 0.00 0.00 32.58 33.15 1w3i s HIS 125 CO 0.37 -0.14 0.99 -2.30 -0.85 0.00 0.00 174.74 172.82 1w3i n PRO 126 N -0.23 1.12 -5.01 8.40 -0.02 -1.26 -4.66 135.00 133.34 1w3i n PRO 126 Ca -0.08 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.50 1w3i n PRO 126 Cb 0.63 -2.14 -0.15 0.00 -0.02 0.00 0.00 33.50 31.82 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 -1.43 2.67 -0.08 -1.45 1.01 -1.26 -1.06 120.40 118.81 1w3i s VAL 127 Ca 0.70 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1w3i s VAL 127 Cb -0.46 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1w3i s VAL 127 CO 0.51 0.57 -0.18 -0.31 0.00 0.00 0.00 175.10 175.69 1w3i s TYR 128 N -0.30 2.65 -0.01 5.22 1.51 0.44 -0.70 117.35 126.15 1w3i s TYR 128 Ca 0.02 -0.50 -0.29 0.00 -1.01 0.00 0.00 57.07 55.29 1w3i s TYR 128 Cb -0.13 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1w3i s TYR 128 CO 0.03 -0.07 0.92 -1.17 -1.11 0.00 0.00 175.55 174.15 1w3i s LEU 129 N -0.21 4.36 -0.41 -1.29 2.96 -0.34 -2.30 118.68 121.46 1w3i s LEU 129 Ca -0.01 1.57 -0.10 0.00 -0.22 0.00 0.00 54.13 55.37 1w3i s LEU 129 Cb -0.13 -3.47 0.07 0.00 0.50 0.00 0.00 46.19 43.15 1w3i s LEU 129 CO 0.03 -0.23 0.25 -0.47 -1.32 0.00 0.00 176.35 174.61 1w3i s TYR 130 N 0.95 3.31 -0.31 5.38 6.04 -0.28 -0.53 117.35 131.90 1w3i s TYR 130 Ca 0.49 -1.39 -0.13 0.00 0.04 0.00 0.00 57.07 56.08 1w3i s TYR 130 Cb -0.20 -2.83 -0.03 0.00 -1.04 0.00 0.00 41.96 37.86 1w3i s TYR 130 CO 0.26 -0.80 0.29 1.21 -1.54 0.00 0.00 175.55 174.97 1w3i s ASN 131 N 1.99 6.12 -0.42 4.32 2.47 0.50 -3.84 114.94 126.09 1w3i s ASN 131 Ca 0.03 -0.09 0.04 0.00 0.42 0.00 0.00 52.86 53.25 1w3i s ASN 131 Cb -0.22 -2.16 0.17 0.00 -1.45 0.00 0.00 41.25 37.58 1w3i s ASN 131 CO 0.03 -0.20 0.40 -0.47 -3.72 0.00 0.00 177.10 173.14 1w3i s TYR 132 N 1.89 0.46 0.28 0.43 6.04 -1.26 -0.93 117.35 124.26 1w3i s TYR 132 Ca 0.10 -1.82 -0.01 0.00 0.04 0.00 0.00 57.07 55.37 1w3i s TYR 132 Cb -0.16 -0.66 0.46 0.00 -1.04 0.00 0.00 41.96 40.56 1w3i s TYR 132 CO 0.11 -0.92 1.90 -1.35 -1.54 0.00 0.00 175.55 173.75 1w3i h PRO 133 N 5.80 1.09 -0.43 4.97 0.11 -1.70 -0.83 132.00 141.01 1w3i h PRO 133 Ca 0.19 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 1w3i h PRO 133 Cb 0.96 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1w3i h PRO 133 CO 0.28 0.72 -0.18 1.15 -0.21 0.00 0.00 178.00 179.76 1w3i h THR 134 N 1.12 1.27 0.06 -1.15 2.02 -1.87 -0.45 112.91 113.91 1w3i h THR 134 Ca 0.41 -1.30 -0.27 0.00 0.77 0.00 0.00 66.41 66.02 1w3i h THR 134 Cb 0.16 1.13 0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1w3i h THR 134 CO -0.15 0.44 -1.11 0.00 0.37 0.00 0.00 175.52 175.06 1w3i h ALA 135 N 1.06 0.14 0.00 6.16 0.00 -1.88 -3.37 119.26 121.38 1w3i h ALA 135 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1w3i h ALA 135 Cb 0.70 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1w3i h ALA 135 CO 0.05 0.75 -1.54 0.25 0.00 0.00 0.00 179.25 178.77 1w3i n THR 136 N -3.77 0.07 -0.82 0.00 -2.24 -0.34 -4.67 114.28 102.51 1w3i n THR 136 Ca -0.11 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1w3i n THR 136 Cb 0.92 0.24 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 1.33 0.84 3.15 3.38 0.00 -0.18 -3.76 105.19 109.94 1w3i n GLY 137 Ca -0.01 0.00 -0.10 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 -0.18 0.84 -0.18 1.61 0.00 -1.25 -4.90 119.74 115.68 1w3i s LYS 138 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 55.97 54.61 1w3i s LYS 138 Cb 0.00 0.05 0.02 0.00 0.00 0.00 0.00 37.83 37.89 1w3i s LYS 138 CO 0.00 -0.14 -0.19 0.34 0.00 0.00 0.00 175.35 175.36 1w3i s ASP 139 N -3.03 3.21 -0.82 0.03 2.15 -1.26 -3.62 116.67 113.33 1w3i s ASP 139 Ca 0.16 -0.63 -0.09 0.00 0.43 0.00 0.00 52.55 52.42 1w3i s ASP 139 Cb 0.07 -1.49 0.21 0.00 -0.30 0.00 0.00 42.92 41.41 1w3i s ASP 139 CO -0.03 0.01 0.73 -0.63 -0.17 0.00 0.00 175.17 175.08 1w3i s ILE 140 N 1.25 5.07 0.91 4.11 -1.09 -1.26 -5.01 121.20 125.18 1w3i s ILE 140 Ca 0.04 -2.87 -0.14 0.00 -2.23 0.00 0.00 60.65 55.44 1w3i s ILE 140 Cb -0.13 -4.15 0.21 0.00 -1.58 0.00 0.00 42.46 36.80 1w3i s ILE 140 CO -0.11 -1.02 1.23 -0.90 -1.23 0.00 0.00 174.94 172.91 1w3i n ASP 141 N 3.50 0.22 -0.26 3.58 5.68 -1.26 -4.62 116.55 123.40 1w3i n ASP 141 Ca 0.15 -1.52 0.09 0.00 -0.50 0.00 0.00 54.79 53.00 1w3i n ASP 141 Cb 0.43 -0.93 0.34 0.00 -1.14 0.00 0.00 41.12 39.81 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 -1.68 1.73 0.00 2.12 0.00 -1.88 0.13 119.26 119.69 1w3i h ALA 142 Ca -0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1w3i h ALA 142 Cb 1.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1w3i h ALA 142 CO 0.29 0.08 -0.00 -0.22 0.00 0.00 0.00 179.25 179.41 1w3i h LYS 143 N 0.78 -0.00 -0.46 0.00 3.64 -1.92 -0.99 116.57 117.62 1w3i h LYS 143 Ca 0.40 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.67 1w3i h LYS 143 Cb 0.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1w3i h LYS 143 CO -0.17 0.08 -0.17 0.28 -2.27 0.00 0.00 179.45 177.20 1w3i h VAL 144 N -0.09 1.27 -0.83 2.00 2.07 -1.63 -1.54 116.25 117.50 1w3i h VAL 144 Ca -0.00 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.24 1w3i h VAL 144 Cb 0.09 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1w3i h VAL 144 CO 0.00 0.45 0.54 0.00 0.02 0.00 0.00 177.57 178.58 1w3i h ALA 145 N 1.01 1.07 -0.53 1.67 0.00 -0.74 0.13 119.26 121.87 1w3i h ALA 145 Ca 0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1w3i h ALA 145 Cb 0.71 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1w3i h ALA 145 CO 0.05 0.41 -0.09 -0.22 0.00 0.00 0.00 179.25 179.41 1w3i h LYS 146 N 1.08 1.00 -0.71 0.00 3.64 -0.78 -1.39 116.57 119.41 1w3i h LYS 146 Ca 0.32 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1w3i h LYS 146 Cb -0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1w3i h LYS 146 CO -0.09 1.05 0.31 1.49 -2.27 0.00 0.00 179.45 179.93 1w3i h GLU 147 N 0.88 1.05 -0.31 1.90 4.81 -0.88 -2.65 114.58 119.37 1w3i h GLU 147 Ca 0.14 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1w3i h GLU 147 Cb 0.65 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1w3i h GLU 147 CO 0.04 0.85 0.17 0.82 -0.73 0.00 0.00 179.01 180.16 1w3i h ILE 148 N 1.01 1.13 0.00 2.32 2.04 -0.57 -3.47 117.51 119.98 1w3i h ILE 148 Ca 0.24 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1w3i h ILE 148 Cb 0.18 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1w3i h ILE 148 CO -0.02 0.14 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1w3i n GLY 149 N -0.95 1.62 0.22 5.37 0.00 -0.54 -4.85 105.19 106.06 1w3i n GLY 149 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.46 3.59 0.14 0.00 2.99 -1.26 -4.48 117.98 117.50 1w3i s PHE 151 Ca 0.14 1.05 0.11 0.00 0.00 0.00 0.00 56.93 58.23 1w3i s PHE 151 Cb 0.10 -2.60 0.15 0.00 0.00 0.00 0.00 43.02 40.67 1w3i s PHE 151 CO 0.05 0.24 1.48 1.15 -0.00 0.00 0.00 175.22 178.13 1w3i h THR 152 N 4.49 1.39 -2.75 0.64 2.02 -1.29 -3.46 112.91 113.95 1w3i h THR 152 Ca -0.43 -2.55 0.10 0.00 0.77 0.00 0.00 66.41 64.30 1w3i h THR 152 Cb 1.19 2.42 -0.07 0.00 -1.74 0.00 0.00 68.15 69.95 1w3i h THR 152 CO 0.73 0.70 0.32 -0.83 0.37 0.00 0.00 175.52 176.81 1w3i s GLY 153 N -4.54 -0.22 0.00 2.16 0.00 -1.24 -1.79 107.32 101.69 1w3i s GLY 153 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.73 1w3i s GLY 153 CO 0.77 -0.01 -0.03 0.54 0.00 0.00 0.00 173.10 174.37 1w3i s VAL 154 N -3.65 0.27 -0.22 1.40 0.11 0.19 -1.20 120.40 117.30 1w3i s VAL 154 Ca 0.10 -0.21 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 1w3i s VAL 154 Cb -0.04 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.56 1w3i s VAL 154 CO 0.02 0.03 -0.02 -0.75 -3.33 0.00 0.00 175.10 171.06 1w3i s LYS 155 N -0.19 3.48 -0.31 1.54 2.20 0.31 -0.76 119.74 126.00 1w3i s LYS 155 Ca 0.00 -0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1w3i s LYS 155 Cb -0.02 -3.07 0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1w3i s LYS 155 CO -0.00 -0.14 0.03 0.34 -0.36 0.00 0.00 175.35 175.22 1w3i s ASP 156 N 1.36 4.98 -0.59 1.43 3.68 -0.34 -0.37 116.67 126.82 1w3i s ASP 156 Ca 0.04 -1.33 -0.13 0.00 2.13 0.00 0.00 52.55 53.27 1w3i s ASP 156 Cb -0.14 -1.74 0.15 0.00 -1.45 0.00 0.00 42.92 39.73 1w3i s ASP 156 CO -0.01 -0.29 0.51 -0.89 0.13 0.00 0.00 175.17 174.62 1w3i s THR 157 N 1.26 4.92 0.04 1.71 2.01 -0.11 -1.37 115.64 124.10 1w3i s THR 157 Ca -0.03 -1.90 -0.27 0.00 0.31 0.00 0.00 61.69 59.79 1w3i s THR 157 Cb -0.20 -4.15 0.07 0.00 0.01 0.00 0.00 72.50 68.23 1w3i s THR 157 CO -0.01 -0.88 0.63 -0.51 -0.69 0.00 0.00 174.62 173.16 1w3i s ILE 158 N 1.09 0.00 -1.09 1.82 2.07 -1.26 -4.07 121.20 119.76 1w3i s ILE 158 Ca 0.08 -0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.27 1w3i s ILE 158 Cb -0.24 -1.00 0.26 0.00 0.13 0.00 0.00 42.46 41.62 1w3i s ILE 158 CO -0.01 -0.02 2.02 -0.62 -1.91 0.00 0.00 174.94 174.40 1w3i n GLU 159 N 0.35 5.01 -3.09 3.50 4.71 -1.26 -4.74 120.64 125.11 1w3i n GLU 159 Ca -0.18 -4.22 0.02 0.00 -0.01 0.00 0.00 57.16 52.77 1w3i n GLU 159 Cb 0.60 -2.50 -0.00 0.00 -1.01 0.00 0.00 31.44 28.53 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 -0.80 -1.21 0.47 1.62 3.84 -1.26 -5.03 114.94 112.57 1w3i s ASN 160 Ca 0.44 -0.51 0.26 0.00 0.21 0.00 0.00 52.86 53.27 1w3i s ASN 160 Cb 0.21 1.57 0.94 0.00 -0.55 0.00 0.00 41.25 43.42 1w3i s ASN 160 CO -0.14 -0.14 1.83 -0.29 -2.79 0.00 0.00 177.10 175.57 1w3i h ILE 161 N 4.68 0.32 -0.72 -5.21 2.10 -2.00 -2.49 117.51 114.19 1w3i h ILE 161 Ca 0.02 -0.97 0.02 0.00 1.08 0.00 0.00 64.86 65.01 1w3i h ILE 161 Cb 1.19 1.75 -0.04 0.00 -1.09 0.00 0.00 36.82 38.63 1w3i h ILE 161 CO 0.05 0.14 0.47 0.40 -1.08 0.00 0.00 178.15 178.13 1w3i h ILE 162 N 0.00 1.13 -0.87 2.19 2.04 -1.99 -0.05 117.51 119.97 1w3i h ILE 162 Ca -0.00 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.57 1w3i h ILE 162 Cb 0.74 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1w3i h ILE 162 CO 0.02 0.17 0.56 -0.74 0.00 0.00 0.00 178.15 178.16 1w3i h HIS 163 N 0.93 1.06 -0.22 1.37 2.76 -1.88 -0.38 115.15 118.79 1w3i h HIS 163 Ca 0.28 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.41 1w3i h HIS 163 Cb -0.03 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.57 1w3i h HIS 163 CO -0.03 0.63 -0.12 1.15 -1.30 0.00 0.00 177.93 178.26 1w3i h THR 164 N 1.12 1.31 -0.43 6.26 2.02 -1.35 -2.75 112.91 119.08 1w3i h THR 164 Ca 0.34 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.33 1w3i h THR 164 Cb -0.04 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1w3i h THR 164 CO -0.10 0.37 0.29 -0.07 0.37 0.00 0.00 175.52 176.38 1w3i h LEU 165 N 0.19 0.45 -2.06 2.58 3.38 -0.75 -2.08 115.31 117.02 1w3i h LEU 165 Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1w3i h LEU 165 Cb 0.62 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1w3i h LEU 165 CO 0.04 0.32 -0.02 0.44 0.09 0.00 0.00 178.44 179.30 1w3i h ASP 166 N 0.52 0.00 -0.76 -0.43 3.45 -0.76 -1.23 116.42 117.21 1w3i h ASP 166 Ca 0.17 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 1w3i h ASP 166 Cb 0.03 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.76 1w3i h ASP 166 CO -0.04 0.02 0.35 1.88 -1.57 0.00 0.00 179.24 179.87 1w3i h TYR 167 N 0.00 1.12 -0.36 4.55 -1.99 -1.39 -1.41 116.97 117.51 1w3i h TYR 167 Ca -0.00 -0.06 -0.08 0.00 2.00 0.00 0.00 58.73 60.59 1w3i h TYR 167 Cb 0.03 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.40 1w3i h TYR 167 CO 0.00 0.83 -0.08 -0.22 -0.00 0.00 0.00 178.16 178.69 1w3i h LYS 168 N 1.10 0.68 -0.71 4.88 3.64 -1.38 0.14 116.57 124.92 1w3i h LYS 168 Ca 0.26 -0.26 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1w3i h LYS 168 Cb 0.15 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1w3i h LYS 168 CO -0.03 0.84 0.44 -0.09 -2.27 0.00 0.00 179.45 178.33 1w3i h ARG 169 N 0.47 0.81 0.00 1.90 2.43 -0.92 -2.87 114.38 116.21 1w3i h ARG 169 Ca 0.09 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 1w3i h ARG 169 Cb 0.58 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1w3i h ARG 169 CO 0.03 0.54 -1.47 1.28 -1.51 0.00 0.00 179.97 178.84 1w3i n LEU 170 N -4.69 0.79 -3.39 3.80 4.32 -0.56 -4.58 117.00 112.69 1w3i n LEU 170 Ca 0.08 0.34 -0.26 0.00 -0.02 0.00 0.00 56.01 56.16 1w3i n LEU 170 Cb 0.12 0.08 -0.09 0.00 -1.62 0.00 0.00 43.42 41.92 1w3i n LEU 170 CO 0.32 0.14 -0.16 0.59 -1.22 0.00 0.00 177.39 177.06 1w3i n ASN 171 N -2.85 1.43 0.19 -1.43 3.02 0.49 -4.98 115.26 111.13 1w3i n ASN 171 Ca -0.10 -2.91 0.18 0.00 -0.03 0.00 0.00 54.58 51.72 1w3i n ASN 171 Cb 0.83 -0.65 0.82 0.00 -0.61 0.00 0.00 39.78 40.17 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 4.56 0.00 -0.02 3.52 0.11 -1.71 -1.26 132.00 137.21 1w3i h PRO 172 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1w3i h PRO 172 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1w3i h PRO 172 CO 0.58 0.00 -0.20 0.09 -0.21 0.00 0.00 178.00 178.26 1w3i n ASN 173 N -3.76 1.78 -4.75 -2.05 3.02 -1.26 -4.93 115.26 103.32 1w3i n ASN 173 Ca 0.02 -1.42 -0.40 0.00 -0.03 0.00 0.00 54.58 52.75 1w3i n ASN 173 Cb 0.38 0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.27 4.75 0.05 3.52 1.75 -0.47 -4.99 119.30 121.63 1w3i s MET 174 Ca 0.27 1.57 -0.30 0.00 -1.25 0.00 0.00 55.69 55.98 1w3i s MET 174 Cb 0.20 -3.28 -0.05 0.00 2.84 0.00 0.00 34.83 34.53 1w3i s MET 174 CO 0.44 0.34 1.18 -0.51 -0.65 0.00 0.00 175.02 175.82 1w3i s LEU 175 N -0.87 4.36 -0.22 4.11 1.43 -0.74 -4.89 118.68 121.87 1w3i s LEU 175 Ca 0.44 1.98 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 1w3i s LEU 175 Cb -0.27 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.43 1w3i s LEU 175 CO 0.34 -0.46 -0.08 -0.69 0.23 0.00 0.00 176.35 175.68 1w3i s VAL 176 N 1.15 1.65 0.00 -1.59 1.01 -1.26 -0.64 120.40 120.72 1w3i s VAL 176 Ca 0.58 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1w3i s VAL 176 Cb -0.29 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1w3i s VAL 176 CO 0.29 0.01 -0.07 -0.31 0.00 0.00 0.00 175.10 175.02 1w3i s TYR 177 N 1.36 2.88 0.10 5.22 1.51 0.06 -1.20 117.35 127.28 1w3i s TYR 177 Ca -0.05 -0.04 -0.19 0.00 -1.01 0.00 0.00 57.07 55.78 1w3i s TYR 177 Cb -0.18 -1.61 -0.07 0.00 -0.11 0.00 0.00 41.96 39.99 1w3i s TYR 177 CO -0.07 0.37 0.60 0.45 -1.11 0.00 0.00 175.55 175.79 1w3i s SER 178 N -1.40 7.06 -0.04 2.29 0.15 -0.41 -1.19 113.70 120.17 1w3i s SER 178 Ca 0.17 1.28 0.04 0.00 0.70 0.00 0.00 55.95 58.14 1w3i s SER 178 Cb -0.11 -2.37 0.18 0.00 -1.71 0.00 0.00 66.02 62.01 1w3i s SER 178 CO 0.07 0.23 0.89 0.61 1.20 0.00 0.00 173.24 176.24 1w3i n GLY 179 N 1.51 1.21 3.43 9.45 0.00 -0.47 -0.29 105.19 120.03 1w3i n GLY 179 Ca -0.09 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.43 4.35 0.55 1.61 0.15 -1.26 -4.73 113.70 113.94 1w3i s SER 180 Ca 0.12 -0.23 0.29 0.00 0.70 0.00 0.00 55.95 56.83 1w3i s SER 180 Cb 0.08 -1.65 1.59 0.00 -1.71 0.00 0.00 66.02 64.33 1w3i s SER 180 CO 0.05 0.18 2.13 0.44 1.20 0.00 0.00 173.24 177.24 1w3i h ASP 181 N 6.61 0.00 0.19 5.45 3.32 -1.90 -3.17 116.42 126.93 1w3i h ASP 181 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1w3i h ASP 181 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1w3i h ASP 181 CO 0.58 0.08 -0.12 0.23 -1.72 0.00 0.00 179.24 178.30 1w3i n MET 182 N -3.66 1.03 -0.29 3.56 2.81 -1.26 -3.73 117.12 115.58 1w3i n MET 182 Ca -0.02 -0.50 0.08 0.00 -1.81 0.00 0.00 57.70 55.46 1w3i n MET 182 Cb 0.19 -1.49 0.20 0.00 -0.71 0.00 0.00 33.22 31.42 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 -0.55 3.27 -0.03 4.03 4.77 -1.20 -4.74 117.00 122.56 1w3i n LEU 183 Ca 0.16 -2.89 -0.11 0.00 -0.03 0.00 0.00 56.01 53.13 1w3i n LEU 183 Cb 0.31 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 1w3i n LEU 183 CO 0.22 0.68 0.85 0.40 -1.33 0.00 0.00 177.39 178.21 1w3i h ILE 184 N 1.23 1.14 -0.50 -0.08 2.04 -1.72 0.73 117.51 120.35 1w3i h ILE 184 Ca 0.00 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1w3i h ILE 184 Cb 1.21 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1w3i h ILE 184 CO 0.13 0.13 0.33 0.00 0.00 0.00 0.00 178.15 178.74 1w3i h ALA 185 N 0.92 0.63 -0.24 1.87 0.00 -1.86 -2.55 119.26 118.04 1w3i h ALA 185 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1w3i h ALA 185 Cb 0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1w3i h ALA 185 CO -0.01 0.08 -0.21 1.15 0.00 0.00 0.00 179.25 180.26 1w3i h THR 186 N 0.67 1.32 -0.46 0.00 2.02 -1.84 -2.03 112.91 112.59 1w3i h THR 186 Ca 0.18 -1.36 0.04 0.00 0.77 0.00 0.00 66.41 66.04 1w3i h THR 186 Cb -0.08 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1w3i h THR 186 CO -0.04 0.42 0.23 0.58 0.37 0.00 0.00 175.52 177.09 1w3i h VAL 187 N 0.26 0.97 -0.31 3.16 2.07 -0.79 -1.27 116.25 120.35 1w3i h VAL 187 Ca 0.04 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1w3i h VAL 187 Cb 0.76 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1w3i h VAL 187 CO 0.05 0.08 -0.09 0.00 0.02 0.00 0.00 177.57 177.63 1w3i h ALA 188 N 1.25 1.27 0.00 1.67 0.00 -1.39 -2.66 119.26 119.40 1w3i h ALA 188 Ca 0.20 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1w3i h ALA 188 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1w3i h ALA 188 CO -0.14 0.48 -0.49 0.77 0.00 0.00 0.00 179.25 179.88 1w3i h SER 189 N 0.47 0.00 -0.59 0.00 0.02 -0.67 -3.34 113.55 109.44 1w3i h SER 189 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1w3i h SER 189 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1w3i h SER 189 CO 0.02 0.49 0.00 1.07 -1.14 0.00 0.00 176.83 177.27 1w3i n THR 190 N -3.35 1.56 -0.75 -2.27 5.66 -0.54 -4.96 114.28 109.63 1w3i n THR 190 Ca 0.01 -1.18 0.00 0.00 -3.05 0.00 0.00 64.05 59.83 1w3i n THR 190 Cb 0.66 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 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 1.00 0.58 4.00 1.09 0.00 -1.19 -5.06 105.19 105.62 1w3i n GLY 191 Ca 0.23 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 3.09 0.00 0.99 1.43 -1.02 -5.03 118.68 118.14 1w3i s LEU 192 Ca 0.00 -0.44 0.23 0.00 -1.03 0.00 0.00 54.13 52.89 1w3i s LEU 192 Cb 0.00 -2.07 0.17 0.00 0.03 0.00 0.00 46.19 44.33 1w3i s LEU 192 CO 0.00 -1.56 1.19 0.47 0.23 0.00 0.00 176.35 176.69 1w3i n ASP 193 N -2.55 1.43 0.00 2.29 8.00 -0.34 -4.67 116.55 120.70 1w3i n ASP 193 Ca 0.14 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1w3i n ASP 193 Cb 0.61 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.19 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 1.43 0.98 3.00 0.44 0.00 -1.25 -0.88 105.19 108.91 1w3i n GLY 194 Ca 0.08 -1.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 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 1.04 -0.48 1.61 0.01 -0.60 -1.28 114.94 111.24 1w3i s ASN 195 Ca 0.00 -0.16 -0.16 0.00 -0.71 0.00 0.00 52.86 51.83 1w3i s ASN 195 Cb 0.00 -0.19 0.08 0.00 0.41 0.00 0.00 41.25 41.55 1w3i s ASN 195 CO 0.00 0.08 0.41 -0.69 -1.51 0.00 0.00 177.10 175.40 1w3i s VAL 196 N -0.02 5.22 -0.23 1.60 1.01 0.60 -0.80 120.40 127.77 1w3i s VAL 196 Ca 0.01 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1w3i s VAL 196 Cb -0.05 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.22 1w3i s VAL 196 CO -0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 175.10 174.35 1w3i s ALA 197 N 1.69 2.46 0.34 5.51 0.00 -0.29 -4.00 121.76 127.46 1w3i s ALA 197 Ca 0.04 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.47 1w3i s ALA 197 Cb -0.24 -1.44 0.62 0.00 0.00 0.00 0.00 23.12 22.06 1w3i s ALA 197 CO 0.07 -0.89 1.99 0.00 0.00 0.00 0.00 175.76 176.92 1w3i h ALA 198 N 7.84 1.56 0.00 0.00 0.00 -1.87 -1.15 119.26 125.63 1w3i h ALA 198 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1w3i h ALA 198 Cb 1.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1w3i h ALA 198 CO 0.52 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.57 1w3i n GLY 199 N -1.43 -1.03 0.11 0.00 0.00 -1.26 -1.67 105.19 99.91 1w3i n GLY 199 Ca 0.08 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.68 0.63 -0.33 1.61 3.41 -0.44 -1.26 113.62 115.57 1w3i n SER 200 Ca 0.03 0.62 -0.01 0.00 -0.26 0.00 0.00 58.87 59.25 1w3i n SER 200 Cb 0.17 -0.77 0.16 0.00 -0.26 0.00 0.00 64.21 63.52 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 1.05 0.00 4.04 2.35 -1.47 -2.83 115.58 118.72 1w3i h ASN 201 Ca 0.00 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1w3i h ASN 201 Cb 0.47 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1w3i h ASN 201 CO 0.00 0.75 -1.64 0.00 -1.65 0.00 0.00 177.43 174.90 1w3i n TYR 202 N -4.40 0.00 -2.96 1.19 0.18 -1.03 -4.67 117.16 105.46 1w3i n TYR 202 Ca 0.11 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.70 1w3i n TYR 202 Cb 0.03 -0.34 -0.02 0.00 -0.38 0.00 0.00 39.34 38.64 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 -2.02 2.12 -0.14 -3.48 4.77 -0.39 -4.42 117.00 113.44 1w3i n LEU 203 Ca -0.05 -4.91 0.09 0.00 -0.03 0.00 0.00 56.01 51.11 1w3i n LEU 203 Cb 0.41 0.27 0.42 0.00 -2.33 0.00 0.00 43.42 42.19 1w3i n LEU 203 CO 0.28 2.15 1.20 1.55 -1.33 0.00 0.00 177.39 181.24 1w3i h PRO 204 N 2.96 0.59 -0.50 3.23 0.13 -1.70 -1.55 132.00 135.15 1w3i h PRO 204 Ca 0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1w3i h PRO 204 Cb 0.90 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 1w3i h PRO 204 CO 0.60 0.39 0.32 0.93 -0.23 0.00 0.00 178.00 180.01 1w3i h GLU 205 N 0.60 0.67 -0.26 0.86 3.07 -1.89 -0.98 114.58 116.66 1w3i h GLU 205 Ca 0.29 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1w3i h GLU 205 Cb 0.37 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1w3i h GLU 205 CO -0.09 0.47 0.07 0.28 -1.40 0.00 0.00 179.01 178.33 1w3i h VAL 206 N 0.68 1.21 -0.76 3.13 2.07 -1.64 -1.49 116.25 119.44 1w3i h VAL 206 Ca 0.18 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 1w3i h VAL 206 Cb -0.04 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1w3i h VAL 206 CO -0.04 0.22 0.28 0.71 0.02 0.00 0.00 177.57 178.77 1w3i h THR 207 N 0.25 1.26 -0.11 2.57 1.35 -1.11 0.83 112.91 117.96 1w3i h THR 207 Ca 0.08 -0.85 -0.15 0.00 -0.55 0.00 0.00 66.41 64.95 1w3i h THR 207 Cb 0.28 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 1w3i h THR 207 CO 0.00 0.34 -0.57 0.58 -0.25 0.00 0.00 175.52 175.63 1w3i h VAL 208 N 1.12 1.36 -0.20 6.82 2.07 -1.14 -2.62 116.25 123.66 1w3i h VAL 208 Ca 0.25 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.81 1w3i h VAL 208 Cb 0.25 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1w3i h VAL 208 CO -0.02 0.56 -0.24 0.74 0.02 0.00 0.00 177.57 178.64 1w3i h THR 209 N 0.25 1.33 -0.27 2.57 2.02 -0.69 -1.23 112.91 116.89 1w3i h THR 209 Ca 0.00 -1.43 0.06 0.00 0.77 0.00 0.00 66.41 65.82 1w3i h THR 209 Cb 1.07 1.81 -0.06 0.00 -1.74 0.00 0.00 68.15 69.22 1w3i h THR 209 CO 0.09 0.43 -0.14 0.40 0.37 0.00 0.00 175.52 176.68 1w3i h ILE 210 N 0.17 0.58 -0.56 3.11 2.04 -0.79 -0.57 117.51 121.49 1w3i h ILE 210 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1w3i h ILE 210 Cb 0.80 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1w3i h ILE 210 CO 0.06 0.00 0.29 0.50 0.00 0.00 0.00 178.15 179.00 1w3i h LYS 211 N -0.10 0.54 -0.20 2.37 3.11 -1.41 -0.85 116.57 120.02 1w3i h LYS 211 Ca 0.14 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.96 1w3i h LYS 211 Cb 0.32 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 1w3i h LYS 211 CO -0.34 0.35 0.10 0.87 -2.81 0.00 0.00 179.45 177.63 1w3i h LYS 212 N 0.55 0.21 -0.61 1.90 1.57 -0.80 -0.40 116.57 118.99 1w3i h LYS 212 Ca 0.25 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1w3i h LYS 212 Cb 0.16 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1w3i h LYS 212 CO -0.17 0.14 0.37 -0.07 -0.57 0.00 0.00 179.45 179.15 1w3i h LEU 213 N 0.21 0.62 -0.79 2.94 3.38 -0.77 -1.02 115.31 119.88 1w3i h LEU 213 Ca 0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1w3i h LEU 213 Cb 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1w3i h LEU 213 CO -0.05 0.43 -0.04 0.00 0.09 0.00 0.00 178.44 178.87 1w3i h ALA 214 N 1.26 0.99 -0.61 1.53 0.00 -0.94 -1.41 119.26 120.08 1w3i h ALA 214 Ca 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1w3i h ALA 214 Cb 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1w3i h ALA 214 CO -0.10 0.61 0.27 0.52 0.00 0.00 0.00 179.25 180.56 1w3i h MET 215 N 0.80 0.87 0.00 0.00 2.86 -0.58 -1.82 114.93 117.05 1w3i h MET 215 Ca 0.14 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1w3i h MET 215 Cb 0.54 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1w3i h MET 215 CO 0.03 0.69 0.00 0.39 1.06 0.00 0.00 176.91 179.08 1w3i n GLU 216 N -4.34 0.81 -1.34 1.72 1.02 -0.43 -4.88 120.64 113.21 1w3i n GLU 216 Ca 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1w3i n GLU 216 Cb 0.14 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.05 -0.62 -2.35 3.49 5.12 -0.68 -4.93 116.66 115.64 1w3i n ARG 217 Ca 0.20 0.78 -0.42 0.00 -1.93 0.00 0.00 57.85 56.48 1w3i n ARG 217 Cb 0.12 -4.66 0.00 0.00 -1.16 0.00 0.00 32.46 26.76 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 -2.67 4.09 -0.11 5.56 5.02 -0.57 -4.82 118.16 124.67 1w3i n LYS 218 Ca -0.09 -3.71 -0.06 0.00 -2.02 0.00 0.00 58.31 52.43 1w3i n LYS 218 Cb 0.32 -2.77 0.13 0.00 -0.02 0.00 0.00 35.03 32.69 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 -0.68 -0.18 6.09 -1.88 0.11 117.51 125.54 1w3i h ILE 219 Ca 0.46 -1.12 -0.03 0.00 -1.37 0.00 0.00 64.86 62.80 1w3i h ILE 219 Cb 0.52 0.97 -0.03 0.00 0.47 0.00 0.00 36.82 38.75 1w3i h ILE 219 CO 1.53 0.39 0.32 0.44 -3.07 0.00 0.00 178.15 177.76 1w3i h ASP 220 N 0.74 0.90 -0.41 2.19 5.19 -1.96 0.17 116.42 123.24 1w3i h ASP 220 Ca 0.13 -0.14 -0.13 0.00 -0.62 0.00 0.00 57.03 56.27 1w3i h ASP 220 Cb 0.55 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1w3i h ASP 220 CO 0.03 0.79 -0.26 -0.33 -3.12 0.00 0.00 179.24 176.35 1w3i h GLU 221 N 0.95 0.89 -0.55 3.56 5.08 -1.87 -1.31 114.58 121.33 1w3i h GLU 221 Ca 0.23 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1w3i h GLU 221 Cb 0.13 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1w3i h GLU 221 CO -0.03 1.07 0.32 0.00 -1.00 0.00 0.00 179.01 179.37 1w3i h ALA 222 N 0.81 0.70 -0.77 3.43 0.00 -0.75 -2.38 119.26 120.30 1w3i h ALA 222 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1w3i h ALA 222 Cb 0.83 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1w3i h ALA 222 CO 0.07 0.19 0.35 -0.07 0.00 0.00 0.00 179.25 179.79 1w3i h LEU 223 N 0.74 1.03 -0.55 0.00 3.38 -0.51 0.23 115.31 119.63 1w3i h LEU 223 Ca 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1w3i h LEU 223 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1w3i h LEU 223 CO -0.04 0.90 0.35 0.50 0.09 0.00 0.00 178.44 180.25 1w3i h LYS 224 N 1.10 0.73 -0.34 1.13 3.64 -0.93 0.16 116.57 122.07 1w3i h LYS 224 Ca 0.26 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1w3i h LYS 224 Cb 0.16 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1w3i h LYS 224 CO -0.03 0.50 -0.25 1.25 -2.27 0.00 0.00 179.45 178.65 1w3i h LEU 225 N 0.74 0.80 -0.92 5.20 5.85 -1.24 -2.42 115.31 123.32 1w3i h LEU 225 Ca 0.20 -0.44 0.09 0.00 0.84 0.00 0.00 57.88 58.57 1w3i h LEU 225 Cb -0.07 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.67 1w3i h LEU 225 CO -0.04 1.07 0.57 -0.61 -0.34 0.00 0.00 178.44 179.09 1w3i h GLN 226 N 0.54 0.95 -0.04 1.25 5.75 -0.15 -1.44 115.11 121.96 1w3i h GLN 226 Ca 0.06 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.35 1w3i h GLN 226 Cb 0.82 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 1w3i h GLN 226 CO 0.07 0.63 -0.66 0.74 -2.65 0.00 0.00 178.83 176.95 1w3i h PHE 227 N 0.97 0.25 -0.33 3.99 0.05 -0.53 0.58 116.94 121.92 1w3i h PHE 227 Ca 0.43 -0.10 -0.02 0.00 3.82 0.00 0.00 57.97 62.10 1w3i h PHE 227 Cb 0.32 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.21 1w3i h PHE 227 CO -0.02 0.79 0.14 -0.07 -0.18 0.00 0.00 178.31 178.96 1w3i h LEU 228 N 0.13 0.46 -0.80 1.54 3.38 -0.99 -2.87 115.31 116.15 1w3i h LEU 228 Ca -0.01 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1w3i h LEU 228 Cb 1.18 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1w3i h LEU 228 CO 0.10 0.49 0.52 -0.74 0.09 0.00 0.00 178.44 178.90 1w3i h HIS 229 N 0.39 1.02 -0.93 1.13 2.76 -0.88 -2.12 115.15 116.52 1w3i h HIS 229 Ca 0.11 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.45 1w3i h HIS 229 Cb 0.18 -0.34 -0.08 0.00 1.55 0.00 0.00 27.41 28.72 1w3i h HIS 229 CO -0.01 0.65 0.59 -0.44 -1.30 0.00 0.00 177.93 177.43 1w3i h ASP 230 N 1.09 0.72 -0.50 3.26 3.32 -0.76 -1.09 116.42 122.46 1w3i h ASP 230 Ca 0.29 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 1w3i h ASP 230 Cb -0.11 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1w3i h ASP 230 CO -0.06 0.35 0.00 -0.33 -1.72 0.00 0.00 179.24 177.48 1w3i h GLU 231 N 0.76 0.93 -0.15 3.56 5.08 -1.17 0.70 114.58 124.29 1w3i h GLU 231 Ca 0.47 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1w3i h GLU 231 Cb 0.71 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1w3i h GLU 231 CO -0.24 0.92 0.06 0.28 -1.00 0.00 0.00 179.01 179.04 1w3i h VAL 232 N 0.86 1.14 -0.35 3.13 2.07 -1.12 -0.70 116.25 121.28 1w3i h VAL 232 Ca 0.16 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.33 1w3i h VAL 232 Cb 0.50 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1w3i h VAL 232 CO 0.02 0.13 -0.08 0.40 0.02 0.00 0.00 177.57 178.07 1w3i h ILE 233 N 0.10 0.66 -0.73 4.57 1.08 -0.90 -0.26 117.51 122.03 1w3i h ILE 233 Ca 0.05 -0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 1w3i h ILE 233 Cb 0.15 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 1w3i h ILE 233 CO -0.01 0.00 0.43 -0.33 -0.69 0.00 0.00 178.15 177.56 1w3i h GLU 234 N 0.01 0.78 -0.97 2.37 5.08 -0.79 -2.30 114.58 118.77 1w3i h GLU 234 Ca 0.17 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1w3i h GLU 234 Cb 0.25 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1w3i h GLU 234 CO -0.35 0.52 0.62 0.00 -1.00 0.00 0.00 179.01 178.80 1w3i h ALA 235 N 1.35 1.26 0.00 3.43 0.00 -0.23 -2.39 119.26 122.68 1w3i h ALA 235 Ca 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1w3i h ALA 235 Cb 0.14 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1w3i h ALA 235 CO -0.16 0.66 -0.04 0.66 0.00 0.00 0.00 179.25 180.37 1w3i h SER 236 N 1.33 0.00 1.75 0.00 4.64 -0.52 -2.33 113.55 118.42 1w3i h SER 236 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1w3i h SER 236 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1w3i h SER 236 CO -0.07 0.04 0.00 0.03 -0.87 0.00 0.00 176.83 175.96 1w3i h ARG 237 N 0.00 0.00 -0.36 4.77 3.08 -1.11 -2.75 114.38 118.02 1w3i h ARG 237 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1w3i h ARG 237 Cb 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1w3i h ARG 237 CO 0.01 0.00 0.05 0.82 -1.07 0.00 0.00 179.97 179.78 1w3i h ILE 238 N 0.00 0.80 -0.25 2.04 2.04 -1.43 -2.78 117.51 117.93 1w3i h ILE 238 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1w3i h ILE 238 Cb 0.87 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1w3i h ILE 238 CO 0.00 0.03 0.00 0.49 0.00 0.00 0.00 178.15 178.67 1w3i n PHE 239 N -5.11 0.32 0.00 1.37 3.01 -1.26 -5.03 117.46 110.75 1w3i n PHE 239 Ca 0.02 -0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.20 1w3i n PHE 239 Cb 0.17 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 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 0.79 2.44 0.29 1.37 0.00 -1.05 -4.85 105.19 104.18 1w3i n GLY 240 Ca 0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 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 0.77 0.17 1.61 4.64 -1.71 -0.55 113.55 118.48 1w3i h SER 241 Ca 0.00 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1w3i h SER 241 Cb 0.00 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1w3i h SER 241 CO 0.00 0.83 -0.23 -0.07 -0.87 0.00 0.00 176.83 176.49 1w3i h LEU 242 N 0.75 0.11 0.19 5.97 3.38 -1.94 0.79 115.31 124.57 1w3i h LEU 242 Ca 0.15 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.81 1w3i h LEU 242 Cb 0.45 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.20 1w3i h LEU 242 CO 0.02 0.36 -1.21 0.28 0.09 0.00 0.00 178.44 177.97 1w3i h SER 243 N 0.11 0.73 0.14 -0.43 0.02 -1.78 -3.35 113.55 108.99 1w3i h SER 243 Ca 0.02 -0.91 -0.06 0.00 -0.84 0.00 0.00 61.79 60.00 1w3i h SER 243 Cb 0.48 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1w3i h SER 243 CO 0.03 1.59 -0.23 0.28 -1.14 0.00 0.00 176.83 177.36 1w3i h SER 244 N 0.00 0.16 -0.81 3.07 0.02 -0.36 -2.87 113.55 112.76 1w3i h SER 244 Ca -0.21 -0.04 0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1w3i h SER 244 Cb 1.94 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 64.38 1w3i h SER 244 CO 0.23 0.40 0.53 0.78 -1.14 0.00 0.00 176.83 177.63 1w3i h ASN 245 N 0.16 0.51 0.21 3.07 2.35 -1.00 -0.28 115.58 120.59 1w3i h ASN 245 Ca 0.03 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1w3i h ASN 245 Cb 0.50 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1w3i h ASN 245 CO 0.03 0.26 -0.10 1.88 -1.65 0.00 0.00 177.43 177.86 1w3i h TYR 246 N 0.54 -0.26 -0.72 1.19 -1.99 -1.70 -1.82 116.97 112.22 1w3i h TYR 246 Ca 0.40 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.17 1w3i h TYR 246 Cb 0.77 0.09 -0.05 0.00 2.00 0.00 0.00 36.73 39.54 1w3i h TYR 246 CO -0.00 -0.04 0.43 0.28 -0.00 0.00 0.00 178.16 178.83 1w3i h VAL 247 N -0.44 1.05 -0.23 -2.88 2.07 -1.43 -2.37 116.25 112.02 1w3i h VAL 247 Ca -0.03 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 1w3i h VAL 247 Cb 0.33 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1w3i h VAL 247 CO 0.05 0.15 -0.38 -0.07 0.02 0.00 0.00 177.57 177.34 1w3i h LEU 248 N 0.83 0.54 -0.38 2.57 3.38 -1.04 -1.11 115.31 120.10 1w3i h LEU 248 Ca 0.30 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1w3i h LEU 248 Cb 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1w3i h LEU 248 CO -0.14 0.87 -0.06 0.74 0.09 0.00 0.00 178.44 179.94 1w3i h THR 249 N 0.43 1.27 -0.44 0.22 2.02 -1.08 -0.98 112.91 114.36 1w3i h THR 249 Ca 0.04 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.13 1w3i h THR 249 Cb 0.85 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 1w3i h THR 249 CO 0.07 0.37 0.26 0.50 0.37 0.00 0.00 175.52 177.10 1w3i h LYS 250 N 0.52 0.52 -0.30 6.66 3.64 -1.22 0.70 116.57 127.08 1w3i h LYS 250 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1w3i h LYS 250 Cb 0.56 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1w3i h LYS 250 CO 0.03 0.34 0.20 -0.92 -2.27 0.00 0.00 179.45 176.83 1w3i h TYR 251 N 0.53 0.38 0.02 1.91 3.20 -1.00 -1.18 116.97 120.84 1w3i h TYR 251 Ca 0.17 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.73 1w3i h TYR 251 Cb -0.00 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 1w3i h TYR 251 CO -0.07 0.24 -1.86 1.19 -1.64 0.00 0.00 178.16 176.03 1w3i n PHE 252 N -4.88 0.92 0.11 -3.82 3.01 -0.39 -4.45 117.46 107.95 1w3i n PHE 252 Ca -0.01 0.30 0.10 0.00 1.01 0.00 0.00 57.45 58.84 1w3i n PHE 252 Cb 0.03 -1.16 -0.15 0.00 -0.01 0.00 0.00 39.48 38.19 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 -3.10 0.61 -0.81 -1.08 1.13 0.23 -5.02 117.38 109.34 1w3i n GLN 253 Ca -0.22 -0.16 0.00 0.00 -1.94 0.00 0.00 57.00 54.68 1w3i n GLN 253 Cb 1.06 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.95 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 1.39 0.55 3.27 1.08 0.00 -0.44 -5.02 105.19 106.01 1w3i n GLY 254 Ca -0.03 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.00 1.35 0.16 1.61 -0.85 -1.26 -5.06 117.35 111.31 1w3i s TYR 255 Ca 0.00 -0.71 -0.21 0.00 -0.52 0.00 0.00 57.07 55.63 1w3i s TYR 255 Cb 0.00 -0.67 -0.08 0.00 0.38 0.00 0.00 41.96 41.59 1w3i s TYR 255 CO 0.00 0.14 0.70 0.34 -1.52 0.00 0.00 175.55 175.20 1w3i s ASP 256 N -3.14 7.17 -0.20 -0.18 -1.08 -1.26 -3.71 116.67 114.27 1w3i s ASP 256 Ca 0.17 1.45 0.14 0.00 -0.52 0.00 0.00 52.55 53.79 1w3i s ASP 256 Cb 0.01 -2.43 0.43 0.00 -1.46 0.00 0.00 42.92 39.48 1w3i s ASP 256 CO 0.02 0.16 1.31 0.18 0.52 0.00 0.00 175.17 177.36 1w3i n LEU 257 N 1.28 3.27 0.00 -1.34 4.77 -1.26 -4.92 117.00 118.80 1w3i n LEU 257 Ca -0.06 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.49 1w3i n LEU 257 Cb 0.50 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1w3i n LEU 257 CO 0.44 1.00 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 1w3i n GLY 258 N -1.07 3.21 3.35 -0.72 0.00 -1.26 -3.93 105.19 104.77 1w3i n GLY 258 Ca 0.23 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 1.81 1.07 1.61 1.51 -0.29 -4.86 117.35 118.20 1w3i s TYR 259 Ca 0.00 -0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 55.38 1w3i s TYR 259 Cb 0.00 -0.86 0.24 0.00 -0.11 0.00 0.00 41.96 41.23 1w3i s TYR 259 CO 0.00 0.38 1.23 -1.25 -1.11 0.00 0.00 175.55 174.81 1w3i s PRO 260 N -3.28 -0.21 -0.30 -1.71 0.04 -1.26 -1.34 135.00 126.93 1w3i s PRO 260 Ca 0.20 -0.27 -0.10 0.00 0.04 0.00 0.00 61.00 60.87 1w3i s PRO 260 Cb -0.03 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1w3i s PRO 260 CO 0.08 -3.00 0.16 0.50 0.04 0.00 0.00 177.00 174.78 1w3i s ARG 261 N -5.69 3.51 0.29 4.56 3.52 -1.22 -4.81 118.95 119.11 1w3i s ARG 261 Ca 0.73 -0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 1w3i s ARG 261 Cb -0.06 -3.59 -0.13 0.00 -1.56 0.00 0.00 34.95 29.61 1w3i s ARG 261 CO 0.54 -0.35 1.40 -2.30 -0.81 0.00 0.00 175.30 173.78 1w3i n PRO 262 N 5.01 2.21 -0.03 5.12 -0.02 -1.26 -0.85 135.00 145.18 1w3i n PRO 262 Ca -0.14 0.78 0.01 0.00 -2.02 0.00 0.00 63.50 62.13 1w3i n PRO 262 Cb 0.50 -2.44 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 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 1.12 -2.82 0.52 -0.04 -1.26 -4.98 135.00 129.00 1w3i n PRO 263 Ca 0.08 -0.15 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 1w3i n PRO 263 Cb 0.34 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.71 4.39 0.32 0.52 -1.09 -0.03 -5.01 121.20 118.58 1w3i s ILE 264 Ca 0.03 -0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 57.36 1w3i s ILE 264 Cb 0.02 -4.79 -0.10 0.00 -1.58 0.00 0.00 42.46 36.01 1w3i s ILE 264 CO 0.02 -1.57 0.87 -0.36 -1.23 0.00 0.00 174.94 172.66 1w3i s PHE 265 N 3.74 3.58 0.70 3.97 0.40 -1.26 -3.40 117.98 125.70 1w3i s PHE 265 Ca 0.31 1.59 -0.16 0.00 -0.60 0.00 0.00 56.93 58.07 1w3i s PHE 265 Cb -0.09 -2.79 0.02 0.00 0.51 0.00 0.00 43.02 40.67 1w3i s PHE 265 CO -0.00 0.17 1.20 -1.25 0.70 0.00 0.00 175.22 176.04 1w3i s PRO 266 N -2.33 2.37 0.37 0.24 0.04 -1.26 -4.74 135.00 129.69 1w3i s PRO 266 Ca 0.51 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 63.01 1w3i s PRO 266 Cb -0.15 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1w3i s PRO 266 CO 0.20 -1.65 1.36 -0.51 0.04 0.00 0.00 177.00 176.44 1w3i s LEU 267 N -4.92 4.32 0.92 -3.56 1.43 -1.26 -5.03 118.68 110.59 1w3i s LEU 267 Ca 0.74 2.78 -0.15 0.00 -1.03 0.00 0.00 54.13 56.48 1w3i s LEU 267 Cb -0.29 -3.74 0.16 0.00 0.03 0.00 0.00 46.19 42.35 1w3i s LEU 267 CO 0.43 -0.74 1.26 1.51 0.23 0.00 0.00 176.35 179.03 1w3i s ASP 268 N -0.47 3.51 0.26 2.29 1.47 -1.26 -4.82 116.67 117.65 1w3i s ASP 268 Ca 0.53 0.48 -0.04 0.00 1.18 0.00 0.00 52.55 54.70 1w3i s ASP 268 Cb -0.41 -0.71 0.33 0.00 -0.34 0.00 0.00 42.92 41.79 1w3i s ASP 268 CO 0.55 -2.51 1.90 0.44 0.68 0.00 0.00 175.17 176.23 1w3i h ASP 269 N -1.48 1.08 0.29 2.11 5.19 -1.99 -1.38 116.42 120.24 1w3i h ASP 269 Ca -0.45 -0.01 -0.23 0.00 -0.62 0.00 0.00 57.03 55.72 1w3i h ASP 269 Cb 1.27 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 40.54 1w3i h ASP 269 CO 0.48 0.74 -0.96 -0.08 -3.12 0.00 0.00 179.24 176.30 1w3i h GLU 270 N 1.25 0.45 -0.54 3.56 4.57 -1.99 -1.08 114.58 120.80 1w3i h GLU 270 Ca 0.40 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1w3i h GLU 270 Cb 0.02 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1w3i h GLU 270 CO -0.13 1.14 0.31 0.93 -1.18 0.00 0.00 179.01 180.08 1w3i h GLU 271 N 0.25 0.75 -0.45 1.92 5.08 -1.86 -0.25 114.58 120.03 1w3i h GLU 271 Ca -0.09 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1w3i h GLU 271 Cb 1.60 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1w3i h GLU 271 CO 0.17 0.56 0.24 1.49 -1.00 0.00 0.00 179.01 180.47 1w3i h GLU 272 N 0.73 0.63 -0.55 2.33 4.81 -1.19 0.14 114.58 121.48 1w3i h GLU 272 Ca 0.19 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1w3i h GLU 272 Cb 0.02 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1w3i h GLU 272 CO -0.03 0.51 0.34 -0.09 -0.73 0.00 0.00 179.01 179.01 1w3i h ARG 273 N 0.58 0.66 -0.29 1.92 2.43 -0.93 -1.02 114.38 117.73 1w3i h ARG 273 Ca 0.16 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1w3i h ARG 273 Cb 0.07 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1w3i h ARG 273 CO -0.02 0.44 -0.30 1.96 -1.51 0.00 0.00 179.97 180.53 1w3i h GLN 274 N 0.68 0.61 -0.31 0.20 4.20 -0.75 -1.71 115.11 118.04 1w3i h GLN 274 Ca 0.22 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1w3i h GLN 274 Cb -0.00 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1w3i h GLN 274 CO -0.09 0.84 -0.01 1.25 -0.67 0.00 0.00 178.83 180.16 1w3i h LEU 275 N 0.52 0.54 -1.14 1.46 5.85 -0.45 -2.63 115.31 119.45 1w3i h LEU 275 Ca 0.06 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 1w3i h LEU 275 Cb 0.79 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1w3i h LEU 275 CO 0.06 0.72 -0.03 0.40 -0.34 0.00 0.00 178.44 179.26 1w3i h ILE 276 N 0.34 1.21 -0.55 4.05 2.04 -1.03 -0.66 117.51 122.91 1w3i h ILE 276 Ca 0.09 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1w3i h ILE 276 Cb 0.45 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1w3i h ILE 276 CO 0.02 0.30 0.32 0.50 0.00 0.00 0.00 178.15 179.28 1w3i h LYS 277 N 0.53 0.75 0.00 2.37 1.63 -1.17 0.11 116.57 120.80 1w3i h LYS 277 Ca 0.11 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 1w3i h LYS 277 Cb 0.39 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1w3i h LYS 277 CO 0.02 0.55 -0.26 0.87 -3.45 0.00 0.00 179.45 177.17 1w3i h LYS 278 N 0.77 0.00 -0.00 1.90 1.79 -0.76 -3.32 116.57 116.94 1w3i h LYS 278 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1w3i h LYS 278 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1w3i h LYS 278 CO -0.03 0.26 -0.24 1.33 -1.08 0.00 0.00 179.45 179.69 1w3i n VAL 279 N -3.35 0.00 -0.21 0.50 0.24 -0.76 -4.70 118.33 110.04 1w3i n VAL 279 Ca 0.01 -0.38 -0.01 0.00 -2.04 0.00 0.00 64.34 61.92 1w3i n VAL 279 Cb 0.48 1.05 0.22 0.00 -1.47 0.00 0.00 33.84 34.12 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 0.46 0.99 -0.43 7.34 4.11 -0.91 -0.73 114.58 125.41 1w3i h GLU 280 Ca 0.00 -0.09 -0.12 0.00 0.07 0.00 0.00 59.36 59.22 1w3i h GLU 280 Cb 0.22 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1w3i h GLU 280 CO 0.00 0.70 -0.20 0.78 0.07 0.00 0.00 179.01 180.36 1w3i h GLY 281 N 1.04 0.92 1.01 1.06 0.00 -1.84 -1.42 103.07 103.85 1w3i h GLY 281 Ca 0.26 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1w3i h GLY 281 CO -0.05 0.72 0.35 -2.22 0.00 0.00 0.00 176.54 175.33 1w3i h ILE 282 N 0.74 1.23 -0.27 2.60 2.04 -1.69 -1.84 117.51 120.34 1w3i h ILE 282 Ca 0.10 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.34 1w3i h ILE 282 Cb 0.74 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1w3i h ILE 282 CO 0.06 0.27 0.09 -0.09 0.00 0.00 0.00 178.15 178.48 1w3i h ARG 283 N 1.00 0.20 -0.68 2.37 2.43 -0.86 -0.49 114.38 118.34 1w3i h ARG 283 Ca 0.25 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1w3i h ARG 283 Cb 0.11 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1w3i h ARG 283 CO -0.03 0.14 0.42 0.00 -1.51 0.00 0.00 179.97 178.98 1w3i h ALA 284 N 1.17 0.90 -0.53 2.80 0.00 -1.02 -1.77 119.26 120.80 1w3i h ALA 284 Ca 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1w3i h ALA 284 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1w3i h ALA 284 CO -0.12 0.16 0.01 -0.22 0.00 0.00 0.00 179.25 179.08 1w3i h LYS 285 N 0.80 0.90 -0.06 0.00 3.64 -0.97 0.23 116.57 121.13 1w3i h LYS 285 Ca 0.28 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1w3i h LYS 285 Cb 0.06 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1w3i h LYS 285 CO -0.13 0.89 -0.35 -0.07 -2.27 0.00 0.00 179.45 177.53 1w3i h LEU 286 N 0.83 0.11 0.06 5.20 3.38 -0.40 -0.51 115.31 123.98 1w3i h LEU 286 Ca 0.16 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.81 1w3i h LEU 286 Cb 0.49 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.23 1w3i h LEU 286 CO 0.02 0.45 -1.16 0.58 0.09 0.00 0.00 178.44 178.43 1w3i h VAL 287 N 0.10 1.28 -0.38 1.22 2.07 -0.93 -0.71 116.25 118.90 1w3i h VAL 287 Ca 0.01 -2.37 -0.06 0.00 0.82 0.00 0.00 66.70 65.11 1w3i h VAL 287 Cb 0.66 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1w3i h VAL 287 CO 0.05 0.73 -0.00 1.05 0.02 0.00 0.00 177.57 179.41 1w3i h GLU 288 N 0.33 0.59 0.00 1.57 4.11 -0.77 -1.84 114.58 118.57 1w3i h GLU 288 Ca -0.16 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1w3i h GLU 288 Cb 1.82 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1w3i h GLU 288 CO 0.22 0.62 0.00 1.28 0.07 0.00 0.00 179.01 181.20 1w3i n LEU 289 N -4.26 0.00 -1.71 3.06 4.77 -0.22 -4.91 117.00 113.73 1w3i n LEU 289 Ca 0.02 0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.86 1w3i n LEU 289 Cb 0.26 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1w3i n LEU 289 CO 0.40 -0.01 -0.21 0.29 -1.33 0.00 0.00 177.39 176.53 1w3i n LYS 290 N -1.07 -1.49 0.11 3.23 5.02 -0.69 -4.87 118.16 118.41 1w3i n LYS 290 Ca 0.19 1.19 -0.23 0.00 -2.02 0.00 0.00 58.31 57.44 1w3i n LYS 290 Cb 0.12 -5.62 -0.15 0.00 -0.02 0.00 0.00 35.03 29.36 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 1.36 -2.96 -0.18 2.04 -1.40 -3.44 117.51 112.94 1w3i h ILE 291 Ca -0.43 -2.64 -0.67 0.00 1.00 0.00 0.00 64.86 62.12 1w3i h ILE 291 Cb 1.35 3.10 -0.11 0.00 -0.74 0.00 0.00 36.82 40.43 1w3i h ILE 291 CO 0.62 0.78 -0.54 -0.76 0.00 0.00 0.00 178.15 178.24 1w3i s LEU 292 N -7.70 4.04 0.15 1.44 1.43 -0.93 -4.86 118.68 112.25 1w3i s LEU 292 Ca -0.11 0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 53.07 1w3i s LEU 292 Cb 0.03 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 1w3i s LEU 292 CO 0.91 0.37 0.72 -0.54 0.23 0.00 0.00 176.35 178.04 1w3i s LYS 293 N -0.82 4.44 0.00 1.70 1.02 -1.26 -4.19 119.74 120.62 1w3i s LYS 293 Ca 0.13 1.02 0.23 0.00 0.02 0.00 0.00 55.97 57.37 1w3i s LYS 293 Cb -0.12 -3.21 0.18 0.00 -0.52 0.00 0.00 37.83 34.17 1w3i s LYS 293 CO 0.03 0.57 1.23 -0.85 -0.92 0.00 0.00 175.35 175.41