#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nuw s GLU 2 N 0.00 3.29 -0.31 0.03 2.02 -0.36 -4.95 118.70 118.43 2nuw s GLU 2 Ca 0.00 -0.30 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 2nuw s GLU 2 Cb 0.00 -3.04 0.04 0.00 0.10 0.00 0.00 34.13 31.23 2nuw s GLU 2 CO 0.00 0.71 0.05 0.42 0.02 0.00 0.00 175.26 176.46 2nuw s ILE 3 N -1.13 3.38 -0.12 -1.63 1.01 -1.26 -1.46 121.20 119.99 2nuw s ILE 3 Ca 0.20 -1.22 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 2nuw s ILE 3 Cb -0.12 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 2nuw s ILE 3 CO 0.10 -0.11 0.01 -0.63 0.00 0.00 0.00 174.94 174.31 2nuw s ILE 4 N 1.33 4.35 -0.24 2.92 1.01 -0.07 -0.54 121.20 129.97 2nuw s ILE 4 Ca -0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 2nuw s ILE 4 Cb -0.19 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2nuw s ILE 4 CO 0.01 0.56 0.09 -0.55 0.00 0.00 0.00 174.94 175.05 2nuw s SER 5 N -0.43 5.43 -0.90 3.58 0.15 -0.24 -2.84 113.70 118.45 2nuw s SER 5 Ca 0.08 -0.09 -0.22 0.00 0.70 0.00 0.00 55.95 56.42 2nuw s SER 5 Cb -0.12 -1.97 0.07 0.00 -1.71 0.00 0.00 66.02 62.29 2nuw s SER 5 CO 0.02 0.02 1.26 -2.16 1.20 0.00 0.00 173.24 173.58 2nuw s PRO 6 N 1.28 3.46 0.36 5.44 0.04 -1.26 -0.34 135.00 143.98 2nuw s PRO 6 Ca 0.05 -1.14 -0.27 0.00 0.04 0.00 0.00 61.00 59.68 2nuw s PRO 6 Cb -0.15 -4.88 -0.09 0.00 0.04 0.00 0.00 34.50 29.42 2nuw s PRO 6 CO 0.04 -2.01 1.25 -1.50 0.04 0.00 0.00 177.00 174.82 2nuw s ILE 7 N 4.27 2.86 0.80 0.56 2.07 -1.09 -4.51 121.20 126.16 2nuw s ILE 7 Ca 0.37 0.81 -0.10 0.00 -1.41 0.00 0.00 60.65 60.32 2nuw s ILE 7 Cb -0.05 -3.49 0.07 0.00 0.13 0.00 0.00 42.46 39.12 2nuw s ILE 7 CO -0.03 0.15 1.10 0.27 -1.91 0.00 0.00 174.94 174.52 2nuw s ILE 8 N -1.23 3.10 -0.39 2.00 -4.36 -1.26 -3.14 121.20 115.91 2nuw s ILE 8 Ca 0.52 0.36 -0.09 0.00 -0.26 0.00 0.00 60.65 61.18 2nuw s ILE 8 Cb -0.36 -2.76 0.06 0.00 1.25 0.00 0.00 42.46 40.64 2nuw s ILE 8 CO 0.47 -0.47 0.22 -0.89 0.24 0.00 0.00 174.94 174.52 2nuw s THR 9 N -2.86 4.27 0.21 8.37 2.01 -1.26 -4.88 115.64 121.50 2nuw s THR 9 Ca 0.62 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 2nuw s THR 9 Cb -0.18 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 2nuw s THR 9 CO 0.56 -0.38 1.37 -2.84 -0.69 0.00 0.00 174.62 172.64 2nuw s PRO 10 N 1.46 4.34 0.21 4.92 0.02 -1.26 -4.80 135.00 139.88 2nuw s PRO 10 Ca 0.02 2.16 0.11 0.00 0.02 0.00 0.00 61.00 63.30 2nuw s PRO 10 Cb -0.21 -3.16 -0.05 0.00 0.02 0.00 0.00 34.50 31.10 2nuw s PRO 10 CO 0.04 -0.33 -0.21 -0.06 -0.33 0.00 0.00 177.00 176.10 2nuw s PHE 11 N 0.14 2.17 0.70 6.54 0.40 -0.81 -0.69 117.98 126.43 2nuw s PHE 11 Ca 0.58 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 56.49 2nuw s PHE 11 Cb -0.39 -1.03 0.15 0.00 0.51 0.00 0.00 43.02 42.26 2nuw s PHE 11 CO 0.39 0.53 0.95 -0.40 0.70 0.00 0.00 175.22 177.39 2nuw n ASP 12 N -0.03 0.91 0.24 1.36 5.68 0.06 -1.23 116.55 123.53 2nuw n ASP 12 Ca -0.10 -1.85 0.17 0.00 -0.50 0.00 0.00 54.79 52.50 2nuw n ASP 12 Cb 0.58 -0.65 0.75 0.00 -1.14 0.00 0.00 41.12 40.66 2nuw n ASP 12 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2nuw h LYS 13 N 0.00 0.00 -0.12 0.11 1.63 -1.95 -1.55 116.57 114.68 2nuw h LYS 13 Ca -0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 2nuw h LYS 13 Cb 1.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2nuw h LYS 13 CO 0.30 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.34 2nuw n GLN 14 N -2.79 1.93 -1.27 1.90 3.00 -1.26 -4.94 117.38 113.95 2nuw n GLN 14 Ca -0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 2nuw n GLN 14 Cb 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 28.99 2nuw n GLN 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nuw n GLY 15 N 1.24 0.47 3.79 1.08 0.00 -0.58 -5.06 105.19 106.13 2nuw n GLY 15 Ca 0.17 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2nuw n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nuw s LYS 16 N -2.58 3.40 0.26 1.61 2.20 -1.26 -4.86 119.74 118.51 2nuw s LYS 16 Ca 0.00 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 2nuw s LYS 16 Cb 0.00 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.13 2nuw s LYS 16 CO 0.00 0.68 1.48 0.08 -0.36 0.00 0.00 175.35 177.23 2nuw s VAL 17 N -0.76 2.52 -0.61 4.02 1.01 -1.26 -0.76 120.40 124.55 2nuw s VAL 17 Ca 0.13 0.43 -0.15 0.00 0.00 0.00 0.00 61.98 62.39 2nuw s VAL 17 Cb -0.12 -3.28 0.15 0.00 0.00 0.00 0.00 36.38 33.14 2nuw s VAL 17 CO 0.03 0.07 0.56 0.21 0.00 0.00 0.00 175.10 175.97 2nuw s ASN 18 N 0.42 6.30 0.42 3.32 3.84 0.13 -4.84 114.94 124.52 2nuw s ASN 18 Ca 0.61 -2.05 0.23 0.00 0.21 0.00 0.00 52.86 51.85 2nuw s ASN 18 Cb -0.43 -2.19 0.68 0.00 -0.55 0.00 0.00 41.25 38.76 2nuw s ASN 18 CO 0.44 -0.77 1.72 -0.37 -2.79 0.00 0.00 177.10 175.33 2nuw h VAL 19 N 5.61 0.47 -0.25 -5.21 -1.51 -1.93 -2.55 116.25 110.87 2nuw h VAL 19 Ca -0.18 -1.28 -0.04 0.00 -1.23 0.00 0.00 66.70 63.97 2nuw h VAL 19 Cb 1.08 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 2nuw h VAL 19 CO 0.95 0.22 0.01 0.44 -1.23 0.00 0.00 177.57 177.96 2nuw h ASP 20 N 0.00 0.42 -0.81 4.19 3.32 -1.98 -1.86 116.42 119.70 2nuw h ASP 20 Ca -0.00 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2nuw h ASP 20 Cb 0.91 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 2nuw h ASP 20 CO 0.03 0.62 0.40 0.00 -1.72 0.00 0.00 179.24 178.57 2nuw h ALA 21 N 0.82 1.17 -0.45 3.45 0.00 -1.88 -2.06 119.26 120.32 2nuw h ALA 21 Ca 0.07 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2nuw h ALA 21 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2nuw h ALA 21 CO 0.01 0.63 0.27 1.25 0.00 0.00 0.00 179.25 181.41 2nuw h LEU 22 N 1.15 0.44 -0.56 0.00 5.85 -1.26 -1.28 115.31 119.66 2nuw h LEU 22 Ca 0.28 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 2nuw h LEU 22 Cb 0.10 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2nuw h LEU 22 CO -0.04 0.31 -0.02 0.11 -0.34 0.00 0.00 178.44 178.46 2nuw h LYS 23 N 0.54 1.00 -0.34 1.25 1.57 -1.12 -0.76 116.57 118.70 2nuw h LYS 23 Ca 0.18 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2nuw h LYS 23 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2nuw h LYS 23 CO -0.08 1.01 0.21 1.15 -0.57 0.00 0.00 179.45 181.18 2nuw h THR 24 N 0.88 1.11 -0.15 -0.16 2.02 -1.19 -1.32 112.91 114.11 2nuw h THR 24 Ca 0.16 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 2nuw h THR 24 Cb 0.57 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2nuw h THR 24 CO 0.03 0.11 0.07 -0.74 0.37 0.00 0.00 175.52 175.37 2nuw h HIS 25 N 0.45 0.21 -0.31 3.16 -0.00 -1.08 -2.38 115.15 115.20 2nuw h HIS 25 Ca 0.12 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.52 2nuw h HIS 25 Cb -0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 2nuw h HIS 25 CO -0.04 0.25 0.10 0.00 -0.00 0.00 0.00 177.93 178.24 2nuw h ALA 26 N 0.94 0.35 -0.75 5.26 0.00 -1.01 -1.48 119.26 122.57 2nuw h ALA 26 Ca 0.05 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2nuw h ALA 26 Cb 0.11 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2nuw h ALA 26 CO -0.01 -0.30 0.44 0.87 0.00 0.00 0.00 179.25 180.25 2nuw h LYS 27 N 0.24 0.77 -0.44 0.00 1.57 -1.12 -1.47 116.57 116.12 2nuw h LYS 27 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2nuw h LYS 27 Cb 0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2nuw h LYS 27 CO -0.15 0.51 0.23 -0.97 -0.57 0.00 0.00 179.45 178.50 2nuw h ASN 28 N 0.79 0.56 -0.53 0.86 -1.24 -1.00 -0.74 115.58 114.27 2nuw h ASN 28 Ca 0.34 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.24 2nuw h ASN 28 Cb 0.21 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.09 2nuw h ASN 28 CO -0.19 0.50 0.31 -0.07 -1.29 0.00 0.00 177.43 176.69 2nuw h LEU 29 N 0.57 0.65 -0.46 0.34 3.38 -0.89 -1.92 115.31 116.98 2nuw h LEU 29 Ca 0.15 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2nuw h LEU 29 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2nuw h LEU 29 CO -0.02 0.53 -0.07 -0.07 0.09 0.00 0.00 178.44 178.90 2nuw h LEU 30 N 0.72 0.86 -1.87 1.67 3.38 -1.18 -1.98 115.31 116.91 2nuw h LEU 30 Ca 0.19 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2nuw h LEU 30 Cb 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2nuw h LEU 30 CO -0.03 1.00 0.03 -0.33 0.09 0.00 0.00 178.44 179.19 2nuw h GLU 31 N 0.70 0.10 -0.06 1.13 5.08 -0.99 -2.27 114.58 118.28 2nuw h GLU 31 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2nuw h GLU 31 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2nuw h GLU 31 CO 0.04 0.10 0.00 1.63 -1.00 0.00 0.00 179.01 179.77 2nuw n LYS 32 N -4.50 1.44 0.00 2.33 5.02 -0.74 -4.93 118.16 116.79 2nuw n LYS 32 Ca -0.02 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.62 2nuw n LYS 32 Cb 0.11 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2nuw n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nuw n GLY 33 N 1.06 1.07 3.74 0.72 0.00 -0.85 -4.64 105.19 106.29 2nuw n GLY 33 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2nuw n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nuw s ILE 34 N -2.00 2.72 0.03 -0.61 -1.09 -0.78 -4.86 121.20 114.61 2nuw s ILE 34 Ca 0.00 0.60 0.10 0.00 -2.23 0.00 0.00 60.65 59.12 2nuw s ILE 34 Cb 0.00 -3.38 -0.20 0.00 -1.58 0.00 0.00 42.46 37.30 2nuw s ILE 34 CO 0.00 0.09 1.04 0.44 -1.23 0.00 0.00 174.94 175.28 2nuw h ASP 35 N 5.20 0.00 -4.97 3.58 3.32 -1.17 -3.43 116.42 118.95 2nuw h ASP 35 Ca -0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 2nuw h ASP 35 Cb 1.22 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.65 2nuw h ASP 35 CO 0.79 0.94 0.24 0.00 -1.72 0.00 0.00 179.24 179.49 2nuw s ALA 36 N -2.70 -1.60 -0.14 3.45 0.00 -1.22 -4.93 121.76 114.62 2nuw s ALA 36 Ca -0.01 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.46 2nuw s ALA 36 Cb 0.09 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.06 2nuw s ALA 36 CO 0.82 -0.78 -0.21 0.42 0.00 0.00 0.00 175.76 176.01 2nuw s ILE 37 N -3.70 2.14 -0.31 0.00 1.01 -0.08 -1.07 121.20 119.19 2nuw s ILE 37 Ca 0.02 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 2nuw s ILE 37 Cb -0.01 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2nuw s ILE 37 CO -0.11 0.55 0.47 0.12 0.00 0.00 0.00 174.94 175.96 2nuw s PHE 38 N 0.83 3.22 -0.22 3.97 5.36 0.53 -1.05 117.98 130.62 2nuw s PHE 38 Ca -0.07 0.34 -0.10 0.00 -0.96 0.00 0.00 56.93 56.14 2nuw s PHE 38 Cb -0.15 -2.77 -0.05 0.00 -0.34 0.00 0.00 43.02 39.70 2nuw s PHE 38 CO -0.02 -0.39 0.14 0.08 -1.46 0.00 0.00 175.22 173.57 2nuw s VAL 39 N 2.27 5.34 -0.76 3.12 1.01 0.33 -2.69 120.40 129.01 2nuw s VAL 39 Ca 0.18 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 2nuw s VAL 39 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2nuw s VAL 39 CO 0.11 0.38 0.06 0.59 0.00 0.00 0.00 175.10 176.25 2nuw n ASN 40 N 4.00 -3.25 -3.05 3.32 3.02 -1.26 -1.28 115.26 116.76 2nuw n ASN 40 Ca -0.15 -0.04 -0.16 0.00 -0.03 0.00 0.00 54.58 54.20 2nuw n ASN 40 Cb 0.52 -2.45 0.12 0.00 -0.61 0.00 0.00 39.78 37.36 2nuw n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nuw n GLY 41 N -1.03 -1.95 0.32 7.41 0.00 -1.26 -3.77 105.19 104.91 2nuw n GLY 41 Ca -0.10 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.38 2nuw n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nuw h THR 42 N -1.77 0.89 -0.12 2.61 2.02 -1.96 -0.54 112.91 114.03 2nuw h THR 42 Ca -0.23 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 2nuw h THR 42 Cb 0.66 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2nuw h THR 42 CO 0.15 0.15 -0.16 0.74 0.37 0.00 0.00 175.52 176.78 2nuw h THR 43 N 0.81 1.18 -0.19 3.16 2.02 -1.88 0.21 112.91 118.22 2nuw h THR 43 Ca 0.42 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2nuw h THR 43 Cb 0.42 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2nuw h THR 43 CO -0.26 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.49 2nuw n GLY 44 N -0.85 -0.02 2.34 2.16 0.00 -0.48 -4.36 105.19 103.98 2nuw n GLY 44 Ca -0.01 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 2nuw n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nuw n LEU 45 N 0.07 -1.75 -0.04 0.99 4.32 0.06 -4.20 117.00 116.45 2nuw n LEU 45 Ca 0.07 0.01 -0.01 0.00 -0.02 0.00 0.00 56.01 56.05 2nuw n LEU 45 Cb 0.18 -2.51 -0.01 0.00 -1.62 0.00 0.00 43.42 39.46 2nuw n LEU 45 CO 0.05 -0.22 0.31 0.61 -1.22 0.00 0.00 177.39 176.92 2nuw n GLY 46 N -1.01 -1.91 0.33 -0.72 0.00 -0.33 -0.43 105.19 101.12 2nuw n GLY 46 Ca -0.20 0.43 0.19 0.00 0.00 0.00 0.00 46.02 46.43 2nuw n GLY 46 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nuw h PRO 47 N 0.00 0.00 0.00 1.61 0.11 -1.86 -1.26 132.00 130.61 2nuw h PRO 47 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2nuw h PRO 47 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2nuw h PRO 47 CO -0.09 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 177.53 2nuw n ALA 48 N -2.17 2.60 -2.31 -0.75 0.00 0.43 -4.86 120.51 113.45 2nuw n ALA 48 Ca -0.02 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 2nuw n ALA 48 Cb 0.15 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 2nuw n ALA 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nuw s LEU 49 N -3.60 4.51 0.93 0.00 1.43 -0.48 -5.07 118.68 116.40 2nuw s LEU 49 Ca 0.11 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 2nuw s LEU 49 Cb 0.16 -2.90 0.15 0.00 0.03 0.00 0.00 46.19 43.63 2nuw s LEU 49 CO 0.60 0.25 1.11 -0.94 0.23 0.00 0.00 176.35 177.60 2nuw s SER 50 N -0.96 3.28 0.19 2.29 1.04 -1.26 -4.79 113.70 113.49 2nuw s SER 50 Ca 0.29 1.17 -0.11 0.00 0.48 0.00 0.00 55.95 57.78 2nuw s SER 50 Cb -0.19 -1.81 0.17 0.00 0.10 0.00 0.00 66.02 64.28 2nuw s SER 50 CO 0.19 -2.72 1.81 0.50 0.98 0.00 0.00 173.24 174.00 2nuw h LYS 51 N -1.61 0.65 -0.42 4.02 3.64 -1.97 -1.10 116.57 119.78 2nuw h LYS 51 Ca -0.51 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 58.75 2nuw h LYS 51 Cb 1.32 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2nuw h LYS 51 CO 0.59 0.43 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.72 2nuw h ASP 52 N 0.67 0.68 -0.53 4.20 3.32 -1.99 -1.97 116.42 120.79 2nuw h ASP 52 Ca 0.26 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 2nuw h ASP 52 Cb 0.10 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2nuw h ASP 52 CO -0.14 0.77 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.79 2nuw h GLU 53 N 0.66 0.99 -0.57 3.56 5.08 -1.75 -0.66 114.58 121.88 2nuw h GLU 53 Ca 0.13 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2nuw h GLU 53 Cb 0.46 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2nuw h GLU 53 CO 0.02 0.99 0.26 0.87 -1.00 0.00 0.00 179.01 180.15 2nuw h LYS 54 N 0.90 0.83 -0.10 2.33 1.57 -1.03 -1.33 116.57 119.75 2nuw h LYS 54 Ca 0.16 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2nuw h LYS 54 Cb 0.56 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2nuw h LYS 54 CO 0.03 0.69 0.05 -0.09 -0.57 0.00 0.00 179.45 179.57 2nuw h ARG 55 N 0.77 0.13 -0.15 3.15 2.43 -1.18 -2.87 114.38 116.67 2nuw h ARG 55 Ca 0.19 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2nuw h ARG 55 Cb 0.15 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2nuw h ARG 55 CO -0.02 0.15 -0.12 1.96 -1.51 0.00 0.00 179.97 180.42 2nuw h GLN 56 N 0.08 0.24 -0.56 0.20 1.08 -0.97 -0.47 115.11 114.70 2nuw h GLN 56 Ca 0.03 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2nuw h GLN 56 Cb 0.05 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 2nuw h GLN 56 CO -0.01 0.37 0.28 -0.91 -0.95 0.00 0.00 178.83 177.62 2nuw h ASN 57 N 0.23 0.71 -0.21 1.46 2.35 -1.15 -1.79 115.58 117.17 2nuw h ASN 57 Ca 0.05 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2nuw h ASN 57 Cb 0.36 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2nuw h ASN 57 CO 0.02 0.63 -0.01 0.25 -1.65 0.00 0.00 177.43 176.67 2nuw h LEU 58 N 0.75 0.38 -0.59 1.61 5.85 -1.20 -1.73 115.31 120.37 2nuw h LEU 58 Ca 0.19 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.67 2nuw h LEU 58 Cb 0.09 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2nuw h LEU 58 CO -0.03 0.61 0.25 0.78 -0.34 0.00 0.00 178.44 179.71 2nuw h ASN 59 N 0.14 0.29 -0.09 1.25 2.35 -1.01 0.40 115.58 118.92 2nuw h ASN 59 Ca 0.06 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2nuw h ASN 59 Cb 0.42 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2nuw h ASN 59 CO 0.01 0.18 0.02 0.00 -1.65 0.00 0.00 177.43 176.00 2nuw h ALA 60 N 1.38 0.12 0.00 -0.83 0.00 -1.29 -3.08 119.26 115.56 2nuw h ALA 60 Ca 0.29 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2nuw h ALA 60 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2nuw h ALA 60 CO -0.26 -0.26 -0.29 -0.07 0.00 0.00 0.00 179.25 178.36 2nuw h LEU 61 N -0.06 0.00 -1.78 0.00 3.38 -1.06 -1.88 115.31 113.91 2nuw h LEU 61 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2nuw h LEU 61 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2nuw h LEU 61 CO -0.00 0.29 0.00 0.22 0.09 0.00 0.00 178.44 179.04 2nuw h TYR 62 N 0.00 0.00 0.00 1.13 5.03 -0.83 0.19 116.97 122.49 2nuw h TYR 62 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2nuw h TYR 62 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.83 2nuw h TYR 62 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 178.16 176.59 2nuw n ASP 63 N -2.83 0.00 -0.07 -2.11 8.00 -0.71 -4.12 116.55 114.72 2nuw n ASP 63 Ca -0.00 0.48 -0.09 0.00 0.71 0.00 0.00 54.79 55.88 2nuw n ASP 63 Cb 0.19 -0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 2nuw n ASP 63 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2nuw n VAL 64 N -1.49 0.82 -3.67 2.53 0.31 -0.03 -5.10 118.33 111.70 2nuw n VAL 64 Ca 0.07 -0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 63.95 2nuw n VAL 64 Cb 0.33 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 32.23 2nuw n VAL 64 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2nuw s THR 65 N -2.28 0.07 -0.80 2.52 -1.32 -0.68 -5.03 115.64 108.11 2nuw s THR 65 Ca -0.18 -0.55 0.23 0.00 -1.21 0.00 0.00 61.69 59.98 2nuw s THR 65 Cb 0.05 -1.05 -0.15 0.00 -1.51 0.00 0.00 72.50 69.84 2nuw s THR 65 CO 0.35 -0.30 1.03 0.00 -2.21 0.00 0.00 174.62 173.48 2nuw n HIS 66 N 0.21 0.09 -1.71 9.09 1.44 -1.26 -4.32 115.22 118.76 2nuw n HIS 66 Ca -0.17 0.03 -0.41 0.00 -2.01 0.00 0.00 57.72 55.16 2nuw n HIS 66 Cb 0.61 -0.24 -0.01 0.00 0.12 0.00 0.00 29.99 30.47 2nuw n HIS 66 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2nuw n LYS 67 N -1.71 3.63 -5.16 -1.40 5.02 -1.26 -3.71 118.16 113.57 2nuw n LYS 67 Ca 0.03 -2.75 -0.30 0.00 -2.02 0.00 0.00 58.31 53.27 2nuw n LYS 67 Cb 0.38 -2.92 -0.16 0.00 -0.02 0.00 0.00 35.03 32.31 2nuw n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2nuw s LEU 68 N 0.24 2.03 -0.23 -0.35 1.43 -1.26 -0.90 118.68 119.64 2nuw s LEU 68 Ca 0.56 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 2nuw s LEU 68 Cb 0.16 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 45.10 2nuw s LEU 68 CO -0.07 0.21 -0.05 -0.63 0.23 0.00 0.00 176.35 176.05 2nuw s ILE 69 N -0.06 3.21 -0.38 -0.59 1.01 -0.21 -0.87 121.20 123.30 2nuw s ILE 69 Ca -0.05 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 2nuw s ILE 69 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2nuw s ILE 69 CO 0.04 0.37 0.40 0.12 0.00 0.00 0.00 174.94 175.86 2nuw s PHE 70 N 1.44 3.19 -0.12 3.97 5.99 -0.39 -0.52 117.98 131.54 2nuw s PHE 70 Ca 0.04 -0.22 -0.20 0.00 0.00 0.00 0.00 56.93 56.55 2nuw s PHE 70 Cb -0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 43.02 40.05 2nuw s PHE 70 CO -0.04 -0.57 0.56 -1.14 -0.00 0.00 0.00 175.22 174.03 2nuw s GLN 71 N 2.07 4.35 0.00 10.12 -0.44 -0.40 -0.53 119.66 134.82 2nuw s GLN 71 Ca 0.12 0.59 0.00 0.00 -2.50 0.00 0.00 55.36 53.57 2nuw s GLN 71 Cb -0.17 -3.46 0.00 0.00 -1.64 0.00 0.00 33.01 27.74 2nuw s GLN 71 CO 0.13 0.06 0.68 1.33 0.50 0.00 0.00 175.29 177.99 2nuw n VAL 72 N 3.88 0.46 -1.84 1.34 0.24 -0.35 -4.71 118.33 117.35 2nuw n VAL 72 Ca -0.05 -0.58 -0.41 0.00 -2.04 0.00 0.00 64.34 61.26 2nuw n VAL 72 Cb 0.51 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.74 2nuw n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2nuw s GLY 73 N -0.46 2.82 0.31 7.63 0.00 -1.26 -4.54 107.32 111.81 2nuw s GLY 73 Ca 0.00 1.53 -0.19 0.00 0.00 0.00 0.00 44.72 46.06 2nuw s GLY 73 CO 0.00 2.26 0.73 -1.35 0.00 0.00 0.00 173.10 174.75 2nuw s SER 74 N -0.08 -0.17 -0.05 1.64 1.04 -1.26 -4.76 113.70 110.07 2nuw s SER 74 Ca 0.54 -0.79 0.05 0.00 0.48 0.00 0.00 55.95 56.23 2nuw s SER 74 Cb -0.46 0.76 0.23 0.00 0.10 0.00 0.00 66.02 66.66 2nuw s SER 74 CO 0.59 -1.45 0.98 0.18 0.98 0.00 0.00 173.24 174.52 2nuw n LEU 75 N -0.48 1.98 -3.69 2.42 4.77 -1.26 -4.55 117.00 116.19 2nuw n LEU 75 Ca -0.05 -1.00 -0.28 0.00 -0.03 0.00 0.00 56.01 54.65 2nuw n LEU 75 Cb 0.59 -0.41 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 2nuw n LEU 75 CO 0.19 0.34 -0.35 0.21 -1.33 0.00 0.00 177.39 176.44 2nuw s ASN 76 N -0.51 2.90 0.58 -1.43 3.84 -1.26 -5.02 114.94 114.04 2nuw s ASN 76 Ca 0.16 -0.86 0.27 0.00 0.21 0.00 0.00 52.86 52.64 2nuw s ASN 76 Cb 0.11 -0.52 1.70 0.00 -0.55 0.00 0.00 41.25 41.99 2nuw s ASN 76 CO 0.07 -0.33 2.21 0.25 -2.79 0.00 0.00 177.10 176.50 2nuw h LEU 77 N 8.28 0.00 -0.80 3.21 5.85 -2.00 -1.02 115.31 128.84 2nuw h LEU 77 Ca -0.16 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 2nuw h LEU 77 Cb 1.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2nuw h LEU 77 CO 0.34 0.00 0.29 0.78 -0.34 0.00 0.00 178.44 179.51 2nuw h ASN 78 N 0.00 1.10 -0.30 1.25 2.35 -1.97 -0.18 115.58 117.83 2nuw h ASN 78 Ca 0.02 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.48 2nuw h ASN 78 Cb 0.10 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2nuw h ASN 78 CO -0.00 0.99 -0.23 0.44 -1.65 0.00 0.00 177.43 176.98 2nuw h ASP 79 N 1.14 0.72 -0.49 5.81 3.32 -1.62 -2.26 116.42 123.04 2nuw h ASP 79 Ca 0.26 -0.45 0.06 0.00 0.02 0.00 0.00 57.03 56.93 2nuw h ASP 79 Cb 0.25 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 2nuw h ASP 79 CO -0.02 1.01 0.18 0.58 -1.72 0.00 0.00 179.24 179.27 2nuw h VAL 80 N 0.43 0.84 -0.20 -1.35 2.07 -1.24 -2.21 116.25 114.59 2nuw h VAL 80 Ca 0.06 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 2nuw h VAL 80 Cb 0.78 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2nuw h VAL 80 CO 0.06 0.07 -0.15 0.24 0.02 0.00 0.00 177.57 177.80 2nuw h MET 81 N 0.36 0.33 -0.49 1.57 2.86 -0.91 -0.82 114.93 117.83 2nuw h MET 81 Ca 0.23 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2nuw h MET 81 Cb 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2nuw h MET 81 CO -0.23 0.48 0.24 1.49 1.06 0.00 0.00 176.91 179.95 2nuw h GLU 82 N 0.31 0.71 -0.19 1.72 4.81 -0.88 -0.80 114.58 120.25 2nuw h GLU 82 Ca 0.06 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2nuw h GLU 82 Cb 0.46 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2nuw h GLU 82 CO 0.03 0.59 -0.35 -0.07 -0.73 0.00 0.00 179.01 178.48 2nuw h LEU 83 N 0.65 0.42 0.06 1.64 3.38 -0.81 -1.02 115.31 119.64 2nuw h LEU 83 Ca 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2nuw h LEU 83 Cb 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2nuw h LEU 83 CO -0.02 0.74 -0.03 0.58 0.09 0.00 0.00 178.44 179.80 2nuw h VAL 84 N 0.35 1.03 -0.87 1.22 2.07 -0.91 -1.33 116.25 117.80 2nuw h VAL 84 Ca 0.04 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2nuw h VAL 84 Cb 0.78 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 2nuw h VAL 84 CO 0.06 0.07 0.54 0.11 0.02 0.00 0.00 177.57 178.37 2nuw h LYS 85 N -0.21 1.16 -0.23 1.57 1.57 -0.97 -1.03 116.57 118.42 2nuw h LYS 85 Ca -0.01 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2nuw h LYS 85 Cb 0.19 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2nuw h LYS 85 CO 0.01 0.80 0.13 0.35 -0.57 0.00 0.00 179.45 180.18 2nuw h PHE 86 N 1.19 0.25 0.00 -1.35 3.04 -1.02 -2.92 116.94 116.13 2nuw h PHE 86 Ca 0.31 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.27 2nuw h PHE 86 Cb -0.08 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.35 2nuw h PHE 86 CO 0.00 0.15 0.00 0.66 -2.02 0.00 0.00 178.31 177.10 2nuw h SER 87 N 0.28 0.00 0.05 0.41 4.64 -0.78 -2.81 113.55 115.33 2nuw h SER 87 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2nuw h SER 87 Cb -0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2nuw h SER 87 CO -0.04 0.00 -0.02 0.78 -0.87 0.00 0.00 176.83 176.67 2nuw h ASN 88 N 0.00 0.00 -0.31 4.97 2.35 -0.99 -1.42 115.58 120.18 2nuw h ASN 88 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2nuw h ASN 88 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2nuw h ASN 88 CO 0.00 0.02 0.00 -0.62 -1.65 0.00 0.00 177.43 175.18 2nuw n GLU 89 N -3.99 1.89 -4.78 0.81 -0.58 -1.06 -4.89 120.64 108.04 2nuw n GLU 89 Ca -0.03 -1.37 -0.30 0.00 -0.42 0.00 0.00 57.16 55.05 2nuw n GLU 89 Cb 0.11 -1.36 -0.14 0.00 -0.57 0.00 0.00 31.44 29.47 2nuw n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2nuw s MET 90 N -1.59 1.68 -1.16 3.49 -1.94 -0.54 -5.07 119.30 114.17 2nuw s MET 90 Ca 0.30 -1.15 -0.14 0.00 -1.71 0.00 0.00 55.69 52.99 2nuw s MET 90 Cb 0.16 -1.92 0.18 0.00 2.01 0.00 0.00 34.83 35.26 2nuw s MET 90 CO 0.22 0.49 1.35 0.34 -0.01 0.00 0.00 175.02 177.41 2nuw s ASP 91 N -1.41 7.06 0.45 3.03 2.15 -1.26 -4.97 116.67 121.72 2nuw s ASP 91 Ca 0.12 -2.98 0.05 0.00 0.43 0.00 0.00 52.55 50.17 2nuw s ASP 91 Cb -0.10 -2.37 -0.05 0.00 -0.30 0.00 0.00 42.92 40.11 2nuw s ASP 91 CO 0.03 -0.71 0.07 0.27 -0.17 0.00 0.00 175.17 174.66 2nuw s ILE 92 N 1.25 1.78 0.14 4.11 -4.36 -1.26 -4.85 121.20 118.01 2nuw s ILE 92 Ca 0.40 -1.90 -0.09 0.00 -0.26 0.00 0.00 60.65 58.80 2nuw s ILE 92 Cb -0.04 -2.68 -0.11 0.00 1.25 0.00 0.00 42.46 40.88 2nuw s ILE 92 CO -0.02 0.00 1.39 -0.07 0.24 0.00 0.00 174.94 176.48 2nuw h LEU 93 N 1.50 0.83 -7.66 0.37 3.38 -1.09 -3.48 115.31 109.16 2nuw h LEU 93 Ca -0.43 -0.49 0.41 0.00 0.09 0.00 0.00 57.88 57.45 2nuw h LEU 93 Cb 1.27 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.68 2nuw h LEU 93 CO 0.75 1.27 1.01 -0.83 0.09 0.00 0.00 178.44 180.72 2nuw s GLY 94 N -4.10 -0.31 0.11 0.83 0.00 -1.16 -4.27 107.32 98.42 2nuw s GLY 94 Ca -0.09 0.42 0.09 0.00 0.00 0.00 0.00 44.72 45.14 2nuw s GLY 94 CO 0.88 4.66 -0.18 0.54 0.00 0.00 0.00 173.10 179.00 2nuw s VAL 95 N -2.01 2.83 0.04 1.40 0.11 -0.19 -1.26 120.40 121.32 2nuw s VAL 95 Ca 0.27 -1.46 -0.05 0.00 -2.93 0.00 0.00 61.98 57.81 2nuw s VAL 95 Cb 0.03 -2.28 -0.01 0.00 -1.53 0.00 0.00 36.38 32.58 2nuw s VAL 95 CO -0.04 0.13 0.09 -0.55 -3.33 0.00 0.00 175.10 171.40 2nuw s SER 96 N -2.04 0.20 -0.11 3.54 0.15 0.31 -0.37 113.70 115.39 2nuw s SER 96 Ca 0.17 -0.57 -0.18 0.00 0.70 0.00 0.00 55.95 56.08 2nuw s SER 96 Cb -0.11 0.23 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 2nuw s SER 96 CO 0.09 -0.52 0.44 -0.55 1.20 0.00 0.00 173.24 173.90 2nuw s SER 97 N -2.20 -0.41 0.80 5.45 0.15 -1.19 -1.21 113.70 115.09 2nuw s SER 97 Ca -0.04 0.63 -0.11 0.00 0.70 0.00 0.00 55.95 57.13 2nuw s SER 97 Cb -0.00 0.68 0.10 0.00 -1.71 0.00 0.00 66.02 65.09 2nuw s SER 97 CO -0.05 -0.31 1.15 -1.38 1.20 0.00 0.00 173.24 173.85 2nuw s HIS 98 N -0.45 2.63 0.84 3.44 -3.43 -1.25 -1.85 115.29 115.22 2nuw s HIS 98 Ca -0.06 0.54 -0.12 0.00 -0.80 0.00 0.00 55.06 54.62 2nuw s HIS 98 Cb -0.03 -3.51 0.10 0.00 -1.43 0.00 0.00 32.58 27.70 2nuw s HIS 98 CO 0.03 -1.83 1.13 -1.54 -2.00 0.00 0.00 174.74 170.53 2nuw s SER 99 N -4.63 4.16 0.68 7.38 1.04 -1.26 -4.85 113.70 116.23 2nuw s SER 99 Ca 0.64 1.02 -0.17 0.00 0.48 0.00 0.00 55.95 57.92 2nuw s SER 99 Cb -0.09 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.34 2nuw s SER 99 CO 0.48 -2.14 0.57 -2.65 0.98 0.00 0.00 173.24 170.48 2nuw n PRO 100 N -3.51 0.40 -4.14 4.02 -0.02 -1.26 -4.98 135.00 125.51 2nuw n PRO 100 Ca 0.07 0.17 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 2nuw n PRO 100 Cb 0.59 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.19 2nuw n PRO 100 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2nuw s TYR 101 N -1.83 1.22 0.00 6.00 1.13 -1.26 -4.79 117.35 117.81 2nuw s TYR 101 Ca 0.67 -1.37 0.00 0.00 -1.41 0.00 0.00 57.07 54.96 2nuw s TYR 101 Cb -0.38 -0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.24 2nuw s TYR 101 CO 0.56 -1.05 0.00 0.98 -2.51 0.00 0.00 175.55 173.53 2nuw n TYR 102 N -0.56 0.00 -1.92 -3.49 4.19 -1.26 -4.88 117.16 109.24 2nuw n TYR 102 Ca 0.02 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.81 2nuw n TYR 102 Cb 0.62 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.42 2nuw n TYR 102 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2nuw s PHE 103 N 0.00 1.92 0.60 2.98 0.40 -1.26 -4.98 117.98 117.64 2nuw s PHE 103 Ca 0.00 0.08 -0.09 0.00 -0.60 0.00 0.00 56.93 56.32 2nuw s PHE 103 Cb 0.00 -3.99 -0.03 0.00 0.51 0.00 0.00 43.02 39.51 2nuw s PHE 103 CO 0.00 -4.22 0.98 -1.25 0.70 0.00 0.00 175.22 171.43 2nuw s PRO 104 N 3.85 3.40 -1.68 0.24 0.04 -1.26 -4.38 135.00 135.21 2nuw s PRO 104 Ca 0.77 0.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2nuw s PRO 104 Cb -0.37 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2nuw s PRO 104 CO 0.33 -0.58 0.11 0.54 0.04 0.00 0.00 177.00 177.44 2nuw n ARG 105 N -2.67 -2.30 -2.38 4.56 1.74 -1.26 -4.96 116.66 109.39 2nuw n ARG 105 Ca 0.05 0.95 -0.41 0.00 -0.77 0.00 0.00 57.85 57.67 2nuw n ARG 105 Cb 0.55 -5.65 -0.04 0.00 -1.02 0.00 0.00 32.46 26.30 2nuw n ARG 105 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2nuw s LEU 106 N -6.12 4.47 0.62 0.55 1.43 -1.26 -5.00 118.68 113.36 2nuw s LEU 106 Ca 0.06 2.27 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 2nuw s LEU 106 Cb -0.03 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2nuw s LEU 106 CO 0.07 -0.33 1.30 -2.84 0.23 0.00 0.00 176.35 174.78 2nuw s PRO 107 N -0.59 2.72 0.39 1.29 0.02 -1.26 -4.90 135.00 132.68 2nuw s PRO 107 Ca 0.51 2.09 0.11 0.00 0.02 0.00 0.00 61.00 63.73 2nuw s PRO 107 Cb -0.33 -1.95 0.91 0.00 0.02 0.00 0.00 34.50 33.15 2nuw s PRO 107 CO 0.39 -1.47 1.91 1.49 -0.33 0.00 0.00 177.00 178.99 2nuw h GLU 108 N 0.79 0.56 0.00 5.54 4.81 -2.02 -0.88 114.58 123.38 2nuw h GLU 108 Ca -0.51 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2nuw h GLU 108 Cb 1.33 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2nuw h GLU 108 CO 0.54 0.37 -0.00 1.57 -0.73 0.00 0.00 179.01 180.76 2nuw h LYS 109 N 0.58 0.00 -0.47 1.92 2.10 -1.99 -0.58 116.57 118.12 2nuw h LYS 109 Ca 0.38 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.97 2nuw h LYS 109 Cb 0.66 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.98 2nuw h LYS 109 CO -0.14 0.00 0.07 0.74 -2.00 0.00 0.00 179.45 178.12 2nuw h PHE 110 N 0.00 0.84 -0.68 0.07 -1.00 -1.51 0.13 116.94 114.79 2nuw h PHE 110 Ca -0.00 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.66 2nuw h PHE 110 Cb 0.01 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.31 2nuw h PHE 110 CO 0.00 0.78 0.41 -0.07 -1.61 0.00 0.00 178.31 177.82 2nuw h LEU 111 N 0.65 0.82 -0.23 1.54 4.07 -1.19 -1.62 115.31 119.35 2nuw h LEU 111 Ca 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 2nuw h LEU 111 Cb 0.40 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2nuw h LEU 111 CO 0.01 0.64 0.10 0.00 -1.08 0.00 0.00 178.44 178.11 2nuw h ALA 112 N 1.21 0.30 -0.33 1.53 0.00 -1.14 -2.58 119.26 118.25 2nuw h ALA 112 Ca 0.24 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2nuw h ALA 112 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2nuw h ALA 112 CO -0.05 -0.11 -0.08 0.87 0.00 0.00 0.00 179.25 179.89 2nuw h LYS 113 N 0.23 0.54 0.42 0.00 1.57 -0.82 -0.66 116.57 117.85 2nuw h LYS 113 Ca 0.08 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2nuw h LYS 113 Cb 0.16 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2nuw h LYS 113 CO -0.01 0.62 -0.25 -0.92 -0.57 0.00 0.00 179.45 178.33 2nuw h TYR 114 N 0.51 -0.65 -0.21 -1.35 3.20 -1.10 -2.26 116.97 115.12 2nuw h TYR 114 Ca 0.10 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2nuw h TYR 114 Cb 0.44 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2nuw h TYR 114 CO 0.02 -0.38 -0.27 1.88 -1.64 0.00 0.00 178.16 177.76 2nuw h TYR 115 N -0.63 0.44 -0.85 -3.82 -1.99 -1.25 -2.74 116.97 106.13 2nuw h TYR 115 Ca -0.05 -0.09 0.02 0.00 2.00 0.00 0.00 58.73 60.61 2nuw h TYR 115 Cb 0.51 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 39.09 2nuw h TYR 115 CO -0.08 0.63 0.56 0.93 -0.00 0.00 0.00 178.16 180.20 2nuw h GLU 116 N 0.35 1.09 -0.27 4.88 5.08 -0.98 -0.64 114.58 124.08 2nuw h GLU 116 Ca 0.05 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2nuw h GLU 116 Cb 0.66 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2nuw h GLU 116 CO 0.05 0.72 -0.29 1.49 -1.00 0.00 0.00 179.01 179.98 2nuw h GLU 117 N 1.12 0.67 -0.49 2.33 4.57 -1.12 -0.11 114.58 121.55 2nuw h GLU 117 Ca 0.32 -0.36 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2nuw h GLU 117 Cb -0.07 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2nuw h GLU 117 CO -0.08 0.97 0.29 0.82 -1.18 0.00 0.00 179.01 179.83 2nuw h ILE 118 N 0.40 1.04 0.00 2.32 2.04 -1.20 -2.48 117.51 119.63 2nuw h ILE 118 Ca 0.04 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 2nuw h ILE 118 Cb 0.86 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2nuw h ILE 118 CO 0.07 0.10 -0.35 0.00 0.00 0.00 0.00 178.15 177.97 2nuw h ALA 119 N 1.23 1.38 -0.15 1.87 0.00 -1.00 -1.02 119.26 121.56 2nuw h ALA 119 Ca 0.20 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2nuw h ALA 119 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2nuw h ALA 119 CO -0.10 0.44 -0.19 -0.09 0.00 0.00 0.00 179.25 179.31 2nuw h ARG 120 N 0.00 0.25 0.00 0.00 2.43 -0.54 -3.34 114.38 113.19 2nuw h ARG 120 Ca -0.00 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 2nuw h ARG 120 Cb 0.64 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2nuw h ARG 120 CO 0.05 0.45 -1.76 -0.89 -1.51 0.00 0.00 179.97 176.30 2nuw n ILE 121 N -4.21 0.59 -2.36 1.20 2.08 -1.08 -5.00 119.36 110.58 2nuw n ILE 121 Ca -0.01 -0.45 -0.41 0.00 0.56 0.00 0.00 62.75 62.45 2nuw n ILE 121 Cb 0.32 -0.43 -0.04 0.00 -0.75 0.00 0.00 39.64 38.75 2nuw n ILE 121 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2nuw s SER 122 N -4.20 7.10 0.00 4.38 0.15 -0.41 -4.91 113.70 115.82 2nuw s SER 122 Ca -0.06 2.35 0.22 0.00 0.70 0.00 0.00 55.95 59.16 2nuw s SER 122 Cb 0.05 -2.62 0.60 0.00 -1.71 0.00 0.00 66.02 62.33 2nuw s SER 122 CO 0.51 -0.30 1.50 -1.54 1.20 0.00 0.00 173.24 174.61 2nuw n SER 123 N 1.57 3.84 -4.83 5.45 3.41 -1.26 -4.93 113.62 116.87 2nuw n SER 123 Ca 0.01 -2.00 -0.21 0.00 -0.26 0.00 0.00 58.87 56.41 2nuw n SER 123 Cb 0.44 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2nuw n SER 123 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2nuw s HIS 124 N -1.08 2.86 0.24 7.33 3.76 -1.26 -5.08 115.29 122.05 2nuw s HIS 124 Ca 0.46 -0.33 -0.31 0.00 -0.15 0.00 0.00 55.06 54.74 2nuw s HIS 124 Cb 0.25 -1.80 -0.11 0.00 1.11 0.00 0.00 32.58 32.03 2nuw s HIS 124 CO 0.32 0.19 1.61 -1.12 -0.85 0.00 0.00 174.74 174.89 2nuw s SER 125 N -3.98 6.44 -0.17 1.40 0.01 -1.26 -4.75 113.70 111.40 2nuw s SER 125 Ca 0.41 2.84 -0.18 0.00 1.31 0.00 0.00 55.95 60.32 2nuw s SER 125 Cb -0.05 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2nuw s SER 125 CO 0.26 -0.89 0.51 -0.22 0.41 0.00 0.00 173.24 173.31 2nuw s LEU 126 N 0.26 4.19 -0.08 2.44 2.96 -1.26 -1.02 118.68 126.17 2nuw s LEU 126 Ca 0.67 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 2nuw s LEU 126 Cb -0.47 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 2nuw s LEU 126 CO 0.40 -0.12 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.87 2nuw s TYR 127 N 1.31 2.76 -0.18 5.38 1.51 0.50 -0.55 117.35 128.08 2nuw s TYR 127 Ca 0.25 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.93 2nuw s TYR 127 Cb -0.15 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.94 2nuw s TYR 127 CO 0.10 0.07 0.11 0.42 -1.11 0.00 0.00 175.55 175.14 2nuw s ILE 128 N -0.38 5.27 -0.43 2.71 -1.09 -0.14 -3.19 121.20 123.95 2nuw s ILE 128 Ca 0.04 0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.50 2nuw s ILE 128 Cb -0.12 -3.37 0.08 0.00 -1.58 0.00 0.00 42.46 37.47 2nuw s ILE 128 CO 0.02 0.48 0.28 -0.47 -1.23 0.00 0.00 174.94 174.02 2nuw s TYR 129 N 0.06 3.35 -0.31 3.97 5.04 -0.77 -0.32 117.35 128.36 2nuw s TYR 129 Ca 0.08 -1.57 -0.11 0.00 -2.44 0.00 0.00 57.07 53.03 2nuw s TYR 129 Cb -0.11 -3.05 -0.03 0.00 0.35 0.00 0.00 41.96 39.12 2nuw s TYR 129 CO -0.00 -0.87 0.20 1.21 -1.34 0.00 0.00 175.55 174.75 2nuw s ASN 130 N 2.22 5.91 -0.43 4.32 2.47 0.57 -3.93 114.94 126.08 2nuw s ASN 130 Ca 0.03 -0.31 0.07 0.00 0.42 0.00 0.00 52.86 53.07 2nuw s ASN 130 Cb -0.24 -2.10 0.22 0.00 -1.45 0.00 0.00 41.25 37.69 2nuw s ASN 130 CO 0.02 -0.16 0.56 0.00 -3.72 0.00 0.00 177.10 173.79 2nuw n TYR 131 N 5.06 -1.41 -0.08 0.43 4.19 -1.26 -0.67 117.16 123.42 2nuw n TYR 131 Ca -0.13 -2.95 0.08 0.00 3.31 0.00 0.00 57.90 58.21 2nuw n TYR 131 Cb 0.50 0.34 0.44 0.00 0.49 0.00 0.00 39.34 41.11 2nuw n TYR 131 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 2nuw h PRO 132 N 4.52 0.52 0.00 2.98 0.11 -1.75 -1.12 132.00 137.27 2nuw h PRO 132 Ca 0.08 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2nuw h PRO 132 Cb 0.94 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 2nuw h PRO 132 CO 0.37 0.35 -0.06 0.00 -0.21 0.00 0.00 178.00 178.45 2nuw h ALA 133 N 1.69 1.81 0.05 -0.75 0.00 -1.89 -0.32 119.26 119.85 2nuw h ALA 133 Ca 0.24 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.76 2nuw h ALA 133 Cb 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2nuw h ALA 133 CO -0.07 0.07 -1.91 0.00 0.00 0.00 0.00 179.25 177.34 2nuw n ALA 134 N -2.49 0.98 0.12 0.00 0.00 -0.53 -4.61 120.51 113.98 2nuw n ALA 134 Ca -0.03 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.81 2nuw n ALA 134 Cb 0.14 -0.43 0.01 0.00 0.00 0.00 0.00 19.45 19.17 2nuw n ALA 134 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2nuw h THR 135 N -0.47 0.00 0.00 0.00 1.35 -1.25 -3.44 112.91 109.09 2nuw h THR 135 Ca -0.47 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2nuw h THR 135 Cb 1.70 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 2nuw h THR 135 CO -0.12 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.76 2nuw n GLY 136 N 1.18 0.84 3.11 5.82 0.00 -0.13 -4.07 105.19 111.93 2nuw n GLY 136 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2nuw n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nuw s TYR 137 N -3.31 1.20 -0.16 1.61 1.51 -1.25 -5.03 117.35 111.91 2nuw s TYR 137 Ca 0.00 -0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 2nuw s TYR 137 Cb 0.00 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 2nuw s TYR 137 CO 0.00 -0.01 0.02 0.34 -1.11 0.00 0.00 175.55 174.79 2nuw s ASP 138 N -0.52 5.27 -0.37 2.29 2.15 -1.26 -3.89 116.67 120.33 2nuw s ASP 138 Ca 0.04 0.00 -0.23 0.00 0.43 0.00 0.00 52.55 52.80 2nuw s ASP 138 Cb -0.06 -1.86 0.01 0.00 -0.30 0.00 0.00 42.92 40.72 2nuw s ASP 138 CO -0.00 0.19 0.77 -0.63 -0.17 0.00 0.00 175.17 175.33 2nuw s ILE 139 N 0.25 4.74 0.28 4.11 1.01 -1.26 -5.04 121.20 125.30 2nuw s ILE 139 Ca 0.01 0.81 -0.21 0.00 0.00 0.00 0.00 60.65 61.25 2nuw s ILE 139 Cb -0.13 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 2nuw s ILE 139 CO 0.01 -0.45 0.81 -2.16 0.00 0.00 0.00 174.94 173.15 2nuw s PRO 140 N 3.08 4.31 0.59 2.79 0.04 -1.26 -4.94 135.00 139.61 2nuw s PRO 140 Ca 0.30 1.00 0.30 0.00 0.04 0.00 0.00 61.00 62.64 2nuw s PRO 140 Cb -0.13 -2.74 1.28 0.00 0.04 0.00 0.00 34.50 32.95 2nuw s PRO 140 CO 0.17 0.30 1.62 -1.35 0.04 0.00 0.00 177.00 177.78 2nuw h PRO 141 N 3.08 0.00 -0.40 0.56 0.11 -1.98 -1.29 132.00 132.09 2nuw h PRO 141 Ca -0.48 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.71 2nuw h PRO 141 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 2nuw h PRO 141 CO 0.65 0.00 -0.12 0.77 -0.21 0.00 0.00 178.00 179.09 2nuw h SER 142 N 0.00 -0.42 0.44 -2.05 0.02 -2.00 0.29 113.55 109.82 2nuw h SER 142 Ca 0.41 0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 61.31 2nuw h SER 142 Cb 2.18 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.98 2nuw h SER 142 CO -0.00 -0.15 -0.75 0.40 -1.14 0.00 0.00 176.83 175.18 2nuw h ILE 143 N -0.02 1.43 -0.20 3.27 2.04 -1.63 -3.29 117.51 119.11 2nuw h ILE 143 Ca 0.19 -2.30 -0.14 0.00 1.00 0.00 0.00 64.86 63.62 2nuw h ILE 143 Cb 0.32 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2nuw h ILE 143 CO -0.42 0.68 -0.45 -0.07 0.00 0.00 0.00 178.15 177.88 2nuw h LEU 144 N 0.17 0.55 -2.30 1.44 3.38 -1.11 -3.04 115.31 114.39 2nuw h LEU 144 Ca -0.03 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2nuw h LEU 144 Cb 1.33 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2nuw h LEU 144 CO 0.12 0.92 0.07 0.11 0.09 0.00 0.00 178.44 179.75 2nuw h LYS 145 N 0.41 0.00 0.00 1.13 1.57 -0.53 -1.72 116.57 117.42 2nuw h LYS 145 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2nuw h LYS 145 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2nuw h LYS 145 CO 0.08 0.00 -0.33 1.03 -0.57 0.00 0.00 179.45 179.66 2nuw h SER 146 N 0.00 0.00 -2.49 0.86 0.87 -1.67 -3.47 113.55 107.65 2nuw h SER 146 Ca 0.03 -0.08 -0.54 0.00 -1.23 0.00 0.00 61.79 59.97 2nuw h SER 146 Cb 0.18 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 2nuw h SER 146 CO -0.00 0.04 -0.54 -0.76 -0.53 0.00 0.00 176.83 175.05 2nuw s LEU 147 N -4.72 3.89 -1.51 2.23 1.43 -0.65 -5.01 118.68 114.33 2nuw s LEU 147 Ca 0.07 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.96 2nuw s LEU 147 Cb 0.11 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2nuw s LEU 147 CO 0.67 0.02 2.74 -0.81 0.23 0.00 0.00 176.35 179.20 2nuw n PRO 148 N -0.71 4.01 -2.40 1.29 -0.04 -1.26 -4.95 135.00 130.94 2nuw n PRO 148 Ca -0.08 -2.68 -0.42 0.00 -0.04 0.00 0.00 63.50 60.29 2nuw n PRO 148 Cb 0.56 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.24 2nuw n PRO 148 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nuw s VAL 149 N 0.97 3.80 -0.15 0.52 1.01 -1.26 -4.22 120.40 121.07 2nuw s VAL 149 Ca 0.64 1.40 0.11 0.00 0.00 0.00 0.00 61.98 64.13 2nuw s VAL 149 Cb 0.18 -3.90 -0.17 0.00 0.00 0.00 0.00 36.38 32.49 2nuw s VAL 149 CO -0.07 0.17 0.02 0.29 0.00 0.00 0.00 175.10 175.50 2nuw n LYS 150 N 3.17 1.40 -3.71 2.72 4.76 0.29 -4.79 118.16 121.99 2nuw n LYS 150 Ca 0.06 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.40 2nuw n LYS 150 Cb 0.45 -1.38 -0.07 0.00 -1.84 0.00 0.00 35.03 32.20 2nuw n LYS 150 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2nuw s GLY 151 N -4.98 -0.19 -0.04 0.72 0.00 -1.13 -1.34 107.32 100.36 2nuw s GLY 151 Ca -0.10 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.73 2nuw s GLY 151 CO 0.58 -0.13 -0.03 -0.42 0.00 0.00 0.00 173.10 173.10 2nuw s ILE 152 N -2.63 0.47 -0.37 0.90 1.01 0.32 -0.97 121.20 119.94 2nuw s ILE 152 Ca -0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 2nuw s ILE 152 Cb -0.01 -0.52 0.04 0.00 0.01 0.00 0.00 42.46 41.99 2nuw s ILE 152 CO -0.04 0.22 0.18 -0.54 0.00 0.00 0.00 174.94 174.76 2nuw s LYS 153 N 1.03 2.71 -0.44 2.79 1.02 0.56 -0.71 119.74 126.70 2nuw s LYS 153 Ca -0.09 -1.18 -0.08 0.00 0.02 0.00 0.00 55.97 54.63 2nuw s LYS 153 Cb -0.14 -3.65 0.10 0.00 -0.52 0.00 0.00 37.83 33.62 2nuw s LYS 153 CO -0.01 -0.73 0.28 0.34 -0.92 0.00 0.00 175.35 174.31 2nuw s ASP 154 N 1.59 5.61 -0.64 2.83 2.15 0.23 -0.31 116.67 128.13 2nuw s ASP 154 Ca 0.01 -1.73 -0.22 0.00 0.43 0.00 0.00 52.55 51.04 2nuw s ASP 154 Cb -0.20 -1.97 0.08 0.00 -0.30 0.00 0.00 42.92 40.52 2nuw s ASP 154 CO 0.05 -0.60 0.90 -0.89 -0.17 0.00 0.00 175.17 174.46 2nuw s THR 155 N 1.36 4.45 -0.24 1.71 2.01 0.15 -0.87 115.64 124.21 2nuw s THR 155 Ca 0.05 -0.48 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 2nuw s THR 155 Cb -0.24 -4.63 0.07 0.00 0.01 0.00 0.00 72.50 67.71 2nuw s THR 155 CO 0.00 -1.36 0.62 0.21 -0.69 0.00 0.00 174.62 173.41 2nuw s ASN 156 N 3.62 -0.73 0.00 3.53 3.84 -1.26 -4.29 114.94 119.65 2nuw s ASN 156 Ca 0.20 1.30 0.29 0.00 0.21 0.00 0.00 52.86 54.86 2nuw s ASN 156 Cb -0.18 1.26 1.19 0.00 -0.55 0.00 0.00 41.25 42.97 2nuw s ASN 156 CO 0.10 -0.22 1.87 0.00 -2.79 0.00 0.00 177.10 176.06 2nuw n GLN 157 N 3.39 0.17 -3.23 0.43 1.13 -1.26 -4.60 117.38 113.42 2nuw n GLN 157 Ca -0.17 -0.03 -0.45 0.00 -1.94 0.00 0.00 57.00 54.41 2nuw n GLN 157 Cb 0.57 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.36 2nuw n GLN 157 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2nuw s ASP 158 N -2.85 6.18 0.45 1.08 -1.08 -1.26 -4.93 116.67 114.27 2nuw s ASP 158 Ca 0.18 -1.52 0.16 0.00 -0.52 0.00 0.00 52.55 50.86 2nuw s ASP 158 Cb 0.19 -2.25 1.03 0.00 -1.46 0.00 0.00 42.92 40.43 2nuw s ASP 158 CO 0.53 -0.93 1.98 0.25 0.52 0.00 0.00 175.17 177.52 2nuw h LEU 159 N 9.36 0.00 -2.30 -1.34 5.85 -2.02 -0.56 115.31 124.30 2nuw h LEU 159 Ca -0.29 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 2nuw h LEU 159 Cb 1.10 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2nuw h LEU 159 CO 1.04 0.20 -0.00 0.00 -0.34 0.00 0.00 178.44 179.34 2nuw h ALA 160 N 1.80 1.69 -0.29 1.25 0.00 -1.98 -1.14 119.26 120.59 2nuw h ALA 160 Ca -0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2nuw h ALA 160 Cb 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2nuw h ALA 160 CO 0.03 0.00 -0.32 1.25 0.00 0.00 0.00 179.25 180.21 2nuw h HIS 161 N 0.00 0.88 -0.37 0.00 -0.00 -1.51 -1.38 115.15 112.77 2nuw h HIS 161 Ca -0.00 -0.27 -0.15 0.00 -0.00 0.00 0.00 60.37 59.94 2nuw h HIS 161 Cb 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 2nuw h HIS 161 CO 0.00 1.03 -0.37 0.77 -0.00 0.00 0.00 177.93 179.36 2nuw h SER 162 N 0.48 0.96 -0.37 3.26 0.02 -1.41 -3.04 113.55 113.45 2nuw h SER 162 Ca 0.04 -0.47 -0.03 0.00 -0.84 0.00 0.00 61.79 60.49 2nuw h SER 162 Cb 0.90 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 2nuw h SER 162 CO 0.08 1.23 0.13 0.25 -1.14 0.00 0.00 176.83 177.38 2nuw h LEU 163 N 0.70 0.58 -1.00 5.07 5.85 -1.17 -2.60 115.31 122.74 2nuw h LEU 163 Ca 0.06 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2nuw h LEU 163 Cb 0.96 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 2nuw h LEU 163 CO 0.09 0.56 0.65 -0.08 -0.34 0.00 0.00 178.44 179.33 2nuw h GLU 164 N 0.62 1.20 -0.57 1.25 4.81 -1.13 -2.13 114.58 118.63 2nuw h GLU 164 Ca 0.15 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2nuw h GLU 164 Cb 0.20 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 2nuw h GLU 164 CO -0.01 0.79 0.34 1.88 -0.73 0.00 0.00 179.01 181.28 2nuw h TYR 165 N 1.23 0.63 -0.52 0.92 0.05 -1.46 -1.58 116.97 116.25 2nuw h TYR 165 Ca 0.41 0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.29 2nuw h TYR 165 Cb 0.06 -0.20 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 2nuw h TYR 165 CO -0.00 0.35 0.18 0.87 -1.05 0.00 0.00 178.16 178.50 2nuw h LYS 166 N 0.66 0.34 -0.29 4.88 1.57 -1.43 0.35 116.57 122.64 2nuw h LYS 166 Ca 0.24 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2nuw h LYS 166 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2nuw h LYS 166 CO -0.12 0.22 0.09 -0.07 -0.57 0.00 0.00 179.45 179.00 2nuw h LEU 167 N 0.35 0.43 0.00 2.94 4.07 -1.23 -3.28 115.31 118.60 2nuw h LEU 167 Ca 0.25 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2nuw h LEU 167 Cb 0.29 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.92 2nuw h LEU 167 CO -0.27 0.53 -0.41 0.78 -1.08 0.00 0.00 178.44 178.00 2nuw h ASN 168 N 0.31 0.00 -2.80 -0.43 2.35 -0.97 -3.40 115.58 110.64 2nuw h ASN 168 Ca 0.09 -0.10 -0.61 0.00 -0.55 0.00 0.00 56.30 55.13 2nuw h ASN 168 Cb 0.26 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.22 2nuw h ASN 168 CO -0.00 0.05 -0.67 0.18 -1.65 0.00 0.00 177.43 175.34 2nuw n LEU 169 N -2.32 2.32 -4.64 1.61 4.77 0.08 -5.01 117.00 113.82 2nuw n LEU 169 Ca 0.04 -5.06 -0.55 0.00 -0.03 0.00 0.00 56.01 50.41 2nuw n LEU 169 Cb 0.46 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2nuw n LEU 169 CO 0.35 1.82 1.09 -2.65 -1.33 0.00 0.00 177.39 176.66 2nuw n PRO 170 N 1.98 1.12 -0.28 3.23 -0.02 -1.26 -1.88 135.00 137.90 2nuw n PRO 170 Ca 0.23 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2nuw n PRO 170 Cb 0.39 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2nuw n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nuw n GLY 171 N 3.25 1.61 3.77 -1.23 0.00 -1.26 -5.02 105.19 106.31 2nuw n GLY 171 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2nuw n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nuw s VAL 172 N -2.98 4.44 0.07 1.61 1.01 -0.79 -4.97 120.40 118.79 2nuw s VAL 172 Ca 0.00 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.45 2nuw s VAL 172 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2nuw s VAL 172 CO 0.00 0.48 0.76 -0.54 0.00 0.00 0.00 175.10 175.80 2nuw s LYS 173 N -0.88 4.50 -0.10 2.72 1.02 -0.45 -4.88 119.74 121.67 2nuw s LYS 173 Ca 0.37 1.07 0.02 0.00 0.02 0.00 0.00 55.97 57.45 2nuw s LYS 173 Cb -0.23 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2nuw s LYS 173 CO 0.26 0.35 -0.16 0.08 -0.92 0.00 0.00 175.35 174.96 2nuw s VAL 174 N -0.31 1.52 -0.00 3.17 1.01 -1.26 -0.52 120.40 124.00 2nuw s VAL 174 Ca 0.38 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.76 2nuw s VAL 174 Cb -0.21 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 2nuw s VAL 174 CO 0.23 0.44 -0.24 -0.31 0.00 0.00 0.00 175.10 175.23 2nuw s TYR 175 N 0.83 2.10 -0.13 5.22 1.51 0.11 -0.60 117.35 126.38 2nuw s TYR 175 Ca -0.10 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.51 2nuw s TYR 175 Cb -0.16 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2nuw s TYR 175 CO 0.01 0.00 0.08 1.21 -1.11 0.00 0.00 175.55 175.75 2nuw s ASN 176 N -0.73 5.87 0.00 2.29 3.84 -0.96 -0.60 114.94 124.65 2nuw s ASN 176 Ca 0.09 0.26 0.28 0.00 0.21 0.00 0.00 52.86 53.70 2nuw s ASN 176 Cb -0.09 -1.88 1.00 0.00 -0.55 0.00 0.00 41.25 39.72 2nuw s ASN 176 CO -0.00 0.32 1.71 0.61 -2.79 0.00 0.00 177.10 176.95 2nuw n GLY 177 N 2.55 -0.03 3.70 1.21 0.00 -0.05 -2.05 105.19 110.53 2nuw n GLY 177 Ca -0.18 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2nuw n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nuw s SER 178 N -2.05 7.22 0.41 1.61 0.15 -1.26 -4.46 113.70 115.31 2nuw s SER 178 Ca 0.36 1.48 0.16 0.00 0.70 0.00 0.00 55.95 58.65 2nuw s SER 178 Cb 0.21 -2.52 0.87 0.00 -1.71 0.00 0.00 66.02 62.87 2nuw s SER 178 CO 0.35 -0.27 1.88 0.78 1.20 0.00 0.00 173.24 177.17 2nuw h ASN 179 N 6.90 0.00 -0.02 5.45 2.35 -1.92 -2.90 115.58 125.44 2nuw h ASN 179 Ca -0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2nuw h ASN 179 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2nuw h ASN 179 CO 0.78 0.31 0.00 0.35 -1.65 0.00 0.00 177.43 177.22 2nuw n THR 180 N -3.98 0.02 -0.39 2.81 -2.24 -1.26 -3.59 114.28 105.65 2nuw n THR 180 Ca -0.02 -0.11 0.01 0.00 -2.27 0.00 0.00 64.05 61.67 2nuw n THR 180 Cb 0.37 -0.08 0.02 0.00 -2.10 0.00 0.00 70.33 68.54 2nuw n THR 180 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2nuw n LEU 181 N -0.48 1.62 -0.15 3.22 4.77 -1.10 -4.87 117.00 120.01 2nuw n LEU 181 Ca 0.20 -1.76 -0.04 0.00 -0.03 0.00 0.00 56.01 54.38 2nuw n LEU 181 Cb 0.20 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2nuw n LEU 181 CO 0.16 0.43 0.71 0.40 -1.33 0.00 0.00 177.39 177.76 2nuw h ILE 182 N 0.78 0.35 -0.52 -0.08 2.04 -1.61 -1.43 117.51 117.04 2nuw h ILE 182 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 2nuw h ILE 182 Cb 0.69 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 2nuw h ILE 182 CO 0.00 0.00 0.06 0.22 0.00 0.00 0.00 178.15 178.43 2nuw h TYR 183 N -0.11 0.08 -0.44 1.37 5.03 -1.89 -0.45 116.97 120.55 2nuw h TYR 183 Ca 0.23 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.45 2nuw h TYR 183 Cb 0.46 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 2nuw h TYR 183 CO -0.49 -0.07 -0.22 1.88 -1.32 0.00 0.00 178.16 177.94 2nuw h TYR 184 N 0.18 1.03 -0.62 -3.82 0.05 -1.68 -2.68 116.97 109.43 2nuw h TYR 184 Ca 0.27 -0.24 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 2nuw h TYR 184 Cb 0.39 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2nuw h TYR 184 CO -0.27 1.03 0.15 0.77 -1.05 0.00 0.00 178.16 178.78 2nuw h SER 185 N 0.78 0.94 0.42 3.88 0.02 -0.76 -2.34 113.55 116.49 2nuw h SER 185 Ca 0.10 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2nuw h SER 185 Cb 0.77 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2nuw h SER 185 CO 0.06 0.93 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.52 2nuw h LEU 186 N 0.91 0.00 -1.83 5.07 3.38 -0.93 0.85 115.31 122.77 2nuw h LEU 186 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2nuw h LEU 186 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2nuw h LEU 186 CO 0.00 0.09 0.00 0.18 0.09 0.00 0.00 178.44 178.81 2nuw n LEU 187 N -3.51 2.75 0.00 1.67 4.77 -0.91 -4.66 117.00 117.12 2nuw n LEU 187 Ca -0.02 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2nuw n LEU 187 Cb 0.23 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2nuw n LEU 187 CO 0.29 0.58 0.00 -1.54 -1.33 0.00 0.00 177.39 175.38 2nuw n SER 188 N 1.04 0.00 -2.30 -1.43 3.41 -0.94 -5.07 113.62 108.33 2nuw n SER 188 Ca 0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.75 2nuw n SER 188 Cb 0.50 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2nuw n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nuw n LEU 189 N -0.09 0.00 0.06 1.04 4.77 0.25 -5.02 117.00 118.01 2nuw n LEU 189 Ca 0.00 -0.34 0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2nuw n LEU 189 Cb 0.00 0.02 0.44 0.00 -2.33 0.00 0.00 43.42 41.55 2nuw n LEU 189 CO 0.00 -0.15 0.83 0.47 -1.33 0.00 0.00 177.39 177.21 2nuw n ASP 190 N -1.43 0.54 0.00 -1.43 8.00 0.23 -4.70 116.55 117.75 2nuw n ASP 190 Ca -0.01 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2nuw n ASP 190 Cb 0.07 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2nuw n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nuw n GLY 191 N 1.38 -0.35 3.20 0.44 0.00 -1.22 -1.22 105.19 107.42 2nuw n GLY 191 Ca 0.06 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 2nuw n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nuw s VAL 192 N -3.03 1.07 -0.54 1.61 -7.23 -0.53 -2.27 120.40 109.48 2nuw s VAL 192 Ca 0.00 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 2nuw s VAL 192 Cb 0.00 -1.40 0.19 0.00 0.56 0.00 0.00 36.38 35.72 2nuw s VAL 192 CO 0.00 -0.50 0.46 0.52 -0.31 0.00 0.00 175.10 175.27 2nuw n VAL 193 N 0.57 0.28 -4.14 1.32 0.31 -0.87 -0.89 118.33 114.91 2nuw n VAL 193 Ca -0.16 -4.22 -0.34 0.00 -0.01 0.00 0.00 64.34 59.61 2nuw n VAL 193 Cb 0.57 -1.93 -0.11 0.00 -0.91 0.00 0.00 33.84 31.46 2nuw n VAL 193 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nuw s ALA 194 N -0.93 3.19 0.47 3.52 0.00 -1.13 -4.29 121.76 122.59 2nuw s ALA 194 Ca 0.31 -0.83 0.19 0.00 0.00 0.00 0.00 51.96 51.63 2nuw s ALA 194 Cb 0.04 -1.78 1.21 0.00 0.00 0.00 0.00 23.12 22.59 2nuw s ALA 194 CO -0.16 0.10 2.06 0.66 0.00 0.00 0.00 175.76 178.42 2nuw h SER 195 N 6.91 0.00 0.46 0.00 4.64 -1.87 -2.20 113.55 121.48 2nuw h SER 195 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2nuw h SER 195 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2nuw h SER 195 CO 0.65 0.13 0.00 -0.26 -0.87 0.00 0.00 176.83 176.48 2nuw h PHE 196 N 0.00 0.00 -0.12 4.77 -1.00 -1.95 -1.96 116.94 116.69 2nuw h PHE 196 Ca -0.00 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.81 2nuw h PHE 196 Cb 0.25 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 2nuw h PHE 196 CO 0.00 0.00 0.20 1.79 -1.61 0.00 0.00 178.31 178.69 2nuw h THR 197 N 0.00 0.27 -0.55 -1.55 1.35 -1.67 -0.49 112.91 110.27 2nuw h THR 197 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 2nuw h THR 197 Cb 0.23 0.82 -0.03 0.00 -1.73 0.00 0.00 68.15 67.44 2nuw h THR 197 CO 0.00 0.00 0.20 0.78 -0.25 0.00 0.00 175.52 176.25 2nuw h ASN 198 N 0.00 0.74 0.00 5.36 2.35 -1.58 -3.07 115.58 119.38 2nuw h ASN 198 Ca 0.06 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2nuw h ASN 198 Cb 0.47 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2nuw h ASN 198 CO -0.00 0.68 -1.16 2.22 -1.65 0.00 0.00 177.43 177.51 2nuw n PHE 199 N -4.32 0.00 -2.73 1.19 1.16 -0.80 -4.75 117.46 107.20 2nuw n PHE 199 Ca 0.04 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.43 2nuw n PHE 199 Cb 0.17 -0.10 -0.00 0.00 -1.61 0.00 0.00 39.48 37.94 2nuw n PHE 199 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 2nuw n ILE 200 N -1.63 1.61 -0.38 1.97 -5.35 -0.26 -4.58 119.36 110.74 2nuw n ILE 200 Ca -0.01 -4.35 -0.02 0.00 -0.27 0.00 0.00 62.75 58.10 2nuw n ILE 200 Cb 0.12 -0.47 0.11 0.00 -1.74 0.00 0.00 39.64 37.65 2nuw n ILE 200 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2nuw h PRO 201 N 2.85 1.32 -0.19 6.28 0.13 -1.70 -1.95 132.00 138.75 2nuw h PRO 201 Ca 0.11 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2nuw h PRO 201 Cb 0.95 -0.30 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2nuw h PRO 201 CO 0.67 0.88 0.06 1.05 -0.23 0.00 0.00 178.00 180.43 2nuw h GLU 202 N 1.36 0.26 -0.25 0.86 9.09 -1.89 -0.82 114.58 123.20 2nuw h GLU 202 Ca 0.37 -0.03 -0.12 0.00 0.05 0.00 0.00 59.36 59.64 2nuw h GLU 202 Cb -0.15 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 26.89 2nuw h GLU 202 CO -0.08 0.23 -0.31 0.28 0.05 0.00 0.00 179.01 179.19 2nuw h VAL 203 N 0.26 1.31 -0.17 -1.06 2.07 -1.76 -1.90 116.25 115.01 2nuw h VAL 203 Ca 0.07 -1.49 -0.22 0.00 0.82 0.00 0.00 66.70 65.88 2nuw h VAL 203 Cb 0.08 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2nuw h VAL 203 CO -0.01 0.47 -0.75 0.40 0.02 0.00 0.00 177.57 177.70 2nuw h ILE 204 N 0.36 1.27 -0.66 4.57 2.04 -1.31 -1.60 117.51 122.18 2nuw h ILE 204 Ca 0.03 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 2nuw h ILE 204 Cb 0.88 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 2nuw h ILE 204 CO 0.07 0.62 0.36 0.58 0.00 0.00 0.00 178.15 179.78 2nuw h VAL 205 N 0.56 1.20 -0.54 1.67 2.07 -1.22 -2.40 116.25 117.59 2nuw h VAL 205 Ca -0.05 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 2nuw h VAL 205 Cb 1.38 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2nuw h VAL 205 CO 0.16 0.22 -0.06 0.50 0.02 0.00 0.00 177.57 178.40 2nuw h LYS 206 N 0.91 0.98 -0.46 1.57 1.63 -1.08 -0.12 116.57 120.00 2nuw h LYS 206 Ca 0.23 -0.33 0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2nuw h LYS 206 Cb 0.03 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 2nuw h LYS 206 CO -0.04 1.00 0.25 1.96 -3.45 0.00 0.00 179.45 179.18 2nuw h GLN 207 N 0.88 0.49 -0.12 1.90 4.20 -0.84 0.21 115.11 121.83 2nuw h GLN 207 Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2nuw h GLN 207 Cb 0.60 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2nuw h GLN 207 CO 0.04 0.33 0.05 -0.09 -0.67 0.00 0.00 178.83 178.48 2nuw h ARG 208 N 0.51 0.18 -0.66 1.46 1.12 -1.12 -0.45 114.38 115.41 2nuw h ARG 208 Ca 0.19 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.01 2nuw h ARG 208 Cb 0.06 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 29.96 2nuw h ARG 208 CO -0.11 0.28 0.33 -0.44 -3.11 0.00 0.00 179.97 176.91 2nuw h ASP 209 N 0.05 0.83 -0.28 -3.80 3.32 -0.74 -0.63 116.42 115.17 2nuw h ASP 209 Ca 0.04 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 2nuw h ASP 209 Cb 0.16 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2nuw h ASP 209 CO -0.00 0.69 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.06 2nuw h LEU 210 N 0.92 0.55 -0.91 1.55 3.38 -0.34 -2.47 115.31 118.01 2nuw h LEU 210 Ca 0.23 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2nuw h LEU 210 Cb 0.07 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2nuw h LEU 210 CO -0.03 0.80 0.60 0.40 0.09 0.00 0.00 178.44 180.30 2nuw h ILE 211 N 0.30 1.22 -0.14 1.22 2.04 -0.72 0.84 117.51 122.27 2nuw h ILE 211 Ca 0.07 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2nuw h ILE 211 Cb 0.57 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2nuw h ILE 211 CO 0.03 0.22 0.09 0.50 0.00 0.00 0.00 178.15 178.99 2nuw h LYS 212 N 1.22 0.16 -0.01 2.37 3.64 -0.97 0.56 116.57 123.53 2nuw h LYS 212 Ca 0.34 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2nuw h LYS 212 Cb -0.12 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2nuw h LYS 212 CO -0.08 0.10 -0.01 1.04 -2.27 0.00 0.00 179.45 178.24 2nuw n GLN 213 N -4.52 1.56 -1.02 1.90 6.02 -0.30 -4.92 117.38 116.10 2nuw n GLN 213 Ca -0.01 -0.83 -0.01 0.00 -0.01 0.00 0.00 57.00 56.15 2nuw n GLN 213 Cb 0.10 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 29.87 2nuw n GLN 213 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nuw n GLY 214 N 1.16 0.48 2.83 1.08 0.00 0.19 -4.96 105.19 105.96 2nuw n GLY 214 Ca 0.19 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2nuw n GLY 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nuw n LYS 215 N -2.81 4.15 -0.14 1.61 5.02 0.13 -4.81 118.16 121.32 2nuw n LYS 215 Ca -0.01 -3.90 -0.11 0.00 -2.02 0.00 0.00 58.31 52.27 2nuw n LYS 215 Cb 0.04 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.33 2nuw n LYS 215 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2nuw h LEU 216 N 6.56 0.99 -0.71 -0.35 3.38 -1.90 -2.76 115.31 120.52 2nuw h LEU 216 Ca 0.39 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2nuw h LEU 216 Cb 0.56 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2nuw h LEU 216 CO 1.49 1.19 0.41 0.44 0.09 0.00 0.00 178.44 182.06 2nuw h ASP 217 N 0.81 0.62 -0.79 -0.43 3.32 -1.98 0.31 116.42 118.27 2nuw h ASP 217 Ca 0.09 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2nuw h ASP 217 Cb 0.85 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 2nuw h ASP 217 CO 0.08 0.40 0.34 0.44 -1.72 0.00 0.00 179.24 178.78 2nuw h ASP 218 N 0.75 1.07 -0.31 6.45 3.32 -1.94 -1.19 116.42 124.56 2nuw h ASP 218 Ca 0.32 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 2nuw h ASP 218 Cb 0.18 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2nuw h ASP 218 CO -0.18 0.93 -0.14 0.00 -1.72 0.00 0.00 179.24 178.13 2nuw h ALA 219 N 1.18 0.98 -0.21 3.45 0.00 -1.10 -2.74 119.26 120.82 2nuw h ALA 219 Ca 0.27 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2nuw h ALA 219 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2nuw h ALA 219 CO -0.03 0.60 -0.40 1.25 0.00 0.00 0.00 179.25 180.67 2nuw h LEU 220 N 0.68 0.50 -0.98 0.00 5.85 -0.56 -2.12 115.31 118.67 2nuw h LEU 220 Ca 0.11 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2nuw h LEU 220 Cb 0.62 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2nuw h LEU 220 CO 0.04 0.85 0.32 0.03 -0.34 0.00 0.00 178.44 179.35 2nuw h ARG 221 N 0.40 1.05 -0.65 1.25 2.47 -1.01 -0.83 114.38 117.06 2nuw h ARG 221 Ca 0.04 -0.16 -0.07 0.00 -1.26 0.00 0.00 59.98 58.52 2nuw h ARG 221 Cb 0.88 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 2nuw h ARG 221 CO 0.07 0.83 0.12 -0.07 0.56 0.00 0.00 179.97 181.49 2nuw h LEU 222 N 1.04 1.02 -0.94 3.04 3.38 -1.27 -2.77 115.31 118.81 2nuw h LEU 222 Ca 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2nuw h LEU 222 Cb 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2nuw h LEU 222 CO -0.03 1.01 0.51 -0.61 0.09 0.00 0.00 178.44 179.41 2nuw h GLN 223 N 0.98 1.25 -0.89 1.13 5.75 -0.81 -1.05 115.11 121.47 2nuw h GLN 223 Ca 0.20 -0.14 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 2nuw h GLN 223 Cb 0.42 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 2nuw h GLN 223 CO 0.01 0.90 0.58 0.93 -2.65 0.00 0.00 178.83 178.60 2nuw h GLU 224 N 1.26 1.12 -0.45 1.69 5.08 -0.98 0.47 114.58 122.76 2nuw h GLU 224 Ca 0.32 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2nuw h GLU 224 Cb 0.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2nuw h GLU 224 CO -0.05 0.74 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.38 2nuw h LEU 225 N 1.15 0.97 -0.64 1.33 3.38 -1.13 -2.04 115.31 118.34 2nuw h LEU 225 Ca 0.34 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2nuw h LEU 225 Cb -0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2nuw h LEU 225 CO -0.10 1.16 0.41 0.40 0.09 0.00 0.00 178.44 180.39 2nuw h ILE 226 N 0.81 1.12 -0.33 1.22 2.04 -0.73 -1.30 117.51 120.33 2nuw h ILE 226 Ca 0.10 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 2nuw h ILE 226 Cb 0.81 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2nuw h ILE 226 CO 0.07 0.15 -0.22 0.78 0.00 0.00 0.00 178.15 178.92 2nuw h ASN 227 N 0.81 0.63 -0.71 1.72 4.21 -0.66 -0.48 115.58 121.10 2nuw h ASN 227 Ca 0.25 -0.22 -0.05 0.00 1.21 0.00 0.00 56.30 57.49 2nuw h ASN 227 Cb -0.03 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 36.97 2nuw h ASN 227 CO -0.08 0.85 0.23 0.03 -1.29 0.00 0.00 177.43 177.17 2nuw h ARG 228 N 0.55 1.10 -0.33 0.81 3.08 -1.03 -2.41 114.38 116.15 2nuw h ARG 228 Ca 0.08 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2nuw h ARG 228 Cb 0.68 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2nuw h ARG 228 CO 0.05 0.94 0.18 -0.07 -1.07 0.00 0.00 179.97 180.00 2nuw h LEU 229 N 1.04 0.40 -0.97 3.04 3.38 -0.70 -2.87 115.31 118.63 2nuw h LEU 229 Ca 0.23 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.20 2nuw h LEU 229 Cb 0.29 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 2nuw h LEU 229 CO -0.01 0.37 0.62 0.00 0.09 0.00 0.00 178.44 179.50 2nuw h ALA 230 N 1.05 1.37 -0.43 1.53 0.00 -0.90 -1.04 119.26 120.85 2nuw h ALA 230 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2nuw h ALA 230 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2nuw h ALA 230 CO -0.02 0.35 -0.01 0.22 0.00 0.00 0.00 179.25 179.80 2nuw h ASP 231 N 1.09 0.66 -0.37 0.00 3.58 -1.29 -2.88 116.42 117.21 2nuw h ASP 231 Ca 0.43 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.60 2nuw h ASP 231 Cb 0.24 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2nuw h ASP 231 CO -0.20 0.74 -0.30 0.40 -2.88 0.00 0.00 179.24 177.00 2nuw h ILE 232 N 0.65 1.28 -0.28 2.25 2.04 -1.05 -3.28 117.51 119.12 2nuw h ILE 232 Ca 0.13 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 2nuw h ILE 232 Cb 0.42 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2nuw h ILE 232 CO 0.02 0.49 -0.02 -0.07 0.00 0.00 0.00 178.15 178.57 2nuw h LEU 233 N 0.66 0.40 -0.86 1.44 4.07 -1.03 -3.24 115.31 116.74 2nuw h LEU 233 Ca 0.07 -0.07 0.16 0.00 0.08 0.00 0.00 57.88 58.12 2nuw h LEU 233 Cb 0.88 -0.10 -0.10 0.00 1.08 0.00 0.00 40.66 42.42 2nuw h LEU 233 CO 0.08 0.48 0.43 0.03 -1.08 0.00 0.00 178.44 178.38 2nuw h ARG 234 N 0.41 0.57 0.00 1.13 3.08 -1.58 -1.02 114.38 116.98 2nuw h ARG 234 Ca 0.09 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2nuw h ARG 234 Cb 0.30 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2nuw h ARG 234 CO 0.01 0.37 -0.12 1.57 -1.07 0.00 0.00 179.97 180.73 2nuw h LYS 235 N 0.58 0.00 0.00 0.04 2.10 -1.76 -2.78 116.57 114.75 2nuw h LYS 235 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 2nuw h LYS 235 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2nuw h LYS 235 CO -0.40 0.12 -1.20 0.66 -2.00 0.00 0.00 179.45 176.64 2nuw n TYR 236 N -3.48 0.52 -0.01 0.07 4.02 -0.44 -5.04 117.16 112.80 2nuw n TYR 236 Ca -0.01 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2nuw n TYR 236 Cb 0.28 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 2nuw n TYR 236 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2nuw n GLY 237 N 1.27 0.85 0.08 2.72 0.00 -0.86 -4.67 105.19 104.58 2nuw n GLY 237 Ca -0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 2nuw n GLY 237 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2nuw h SER 238 N 0.00 -0.10 -0.41 1.61 0.02 -1.80 -0.75 113.55 112.13 2nuw h SER 238 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2nuw h SER 238 Cb 0.00 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2nuw h SER 238 CO 0.00 -0.07 0.26 0.40 -1.14 0.00 0.00 176.83 176.28 2nuw h ILE 239 N -0.11 1.11 -0.90 3.27 2.04 -1.94 -1.98 117.51 119.00 2nuw h ILE 239 Ca -0.01 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2nuw h ILE 239 Cb 0.09 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2nuw h ILE 239 CO 0.02 0.11 0.51 0.28 0.00 0.00 0.00 178.15 179.07 2nuw h SER 240 N 0.55 1.11 -0.39 1.72 0.02 -1.83 -2.32 113.55 112.41 2nuw h SER 240 Ca 0.15 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2nuw h SER 240 Cb -0.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 2nuw h SER 240 CO -0.03 0.88 0.16 0.00 -1.14 0.00 0.00 176.83 176.70 2nuw h ALA 241 N 1.28 1.45 -0.78 3.77 0.00 -0.76 -3.01 119.26 121.21 2nuw h ALA 241 Ca 0.32 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2nuw h ALA 241 Cb -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 2nuw h ALA 241 CO -0.05 0.42 0.42 0.82 0.00 0.00 0.00 179.25 180.85 2nuw h ILE 242 N 0.63 0.85 -0.63 0.00 2.04 -0.78 -1.61 117.51 118.02 2nuw h ILE 242 Ca 0.15 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.83 2nuw h ILE 242 Cb 0.15 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.29 2nuw h ILE 242 CO -0.01 0.12 0.35 1.88 0.00 0.00 0.00 178.15 180.50 2nuw h TYR 243 N 0.68 0.65 -0.56 1.37 0.05 -1.56 0.01 116.97 117.62 2nuw h TYR 243 Ca 0.39 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.15 2nuw h TYR 243 Cb 0.42 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 2nuw h TYR 243 CO -0.09 0.33 0.20 0.28 -1.05 0.00 0.00 178.16 177.83 2nuw h VAL 244 N 0.67 1.23 0.00 -2.88 2.07 -1.45 -3.19 116.25 112.70 2nuw h VAL 244 Ca 0.27 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.94 2nuw h VAL 244 Cb 0.13 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2nuw h VAL 244 CO -0.15 0.29 -0.43 -0.07 0.02 0.00 0.00 177.57 177.22 2nuw h LEU 245 N 0.77 0.00 -0.21 2.57 3.38 -0.79 -2.44 115.31 118.60 2nuw h LEU 245 Ca 0.18 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2nuw h LEU 245 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2nuw h LEU 245 CO -0.01 0.43 0.11 0.58 0.09 0.00 0.00 178.44 179.64 2nuw h VAL 246 N 0.00 1.00 -0.74 1.22 2.07 -0.99 0.13 116.25 118.94 2nuw h VAL 246 Ca -0.00 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2nuw h VAL 246 Cb 1.00 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2nuw h VAL 246 CO 0.06 0.04 0.37 -1.13 0.02 0.00 0.00 177.57 176.93 2nuw h ASN 247 N 0.23 0.96 -0.32 0.57 -0.73 -1.55 0.32 115.58 115.06 2nuw h ASN 247 Ca 0.08 -0.12 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 2nuw h ASN 247 Cb 0.01 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.35 2nuw h ASN 247 CO -0.05 0.81 0.00 -0.33 -0.37 0.00 0.00 177.43 177.49 2nuw h GLU 248 N 1.04 0.57 0.02 6.67 4.39 -1.10 -1.37 114.58 124.80 2nuw h GLU 248 Ca 0.26 -0.18 -0.29 0.00 0.34 0.00 0.00 59.36 59.48 2nuw h GLU 248 Cb 0.09 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2nuw h GLU 248 CO -0.04 0.70 -1.65 0.74 -1.16 0.00 0.00 179.01 177.61 2nuw h PHE 249 N 0.37 0.09 0.00 4.33 -1.00 -0.68 -3.41 116.94 116.64 2nuw h PHE 249 Ca 0.09 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.81 2nuw h PHE 249 Cb 0.44 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2nuw h PHE 249 CO 0.04 1.11 -1.31 1.04 -1.61 0.00 0.00 178.31 177.58 2nuw n GLN 250 N -3.16 1.12 -0.68 1.51 1.13 0.11 -5.04 117.38 112.38 2nuw n GLN 250 Ca -0.17 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.81 2nuw n GLN 250 Cb 1.04 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 30.13 2nuw n GLN 250 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nuw n GLY 251 N 1.59 0.60 3.09 1.08 0.00 -0.51 -4.99 105.19 106.05 2nuw n GLY 251 Ca -0.01 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 2nuw n GLY 251 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nuw s TYR 252 N -2.00 0.46 -0.04 1.61 -0.85 -1.26 -5.03 117.35 110.24 2nuw s TYR 252 Ca 0.00 -0.96 -0.23 0.00 -0.52 0.00 0.00 57.07 55.37 2nuw s TYR 252 Cb 0.00 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 2nuw s TYR 252 CO 0.00 -0.37 0.67 0.34 -1.52 0.00 0.00 175.55 174.67 2nuw s ASP 253 N -2.73 7.00 -0.12 -0.18 2.15 -1.26 -3.47 116.67 118.06 2nuw s ASP 253 Ca 0.04 1.20 0.17 0.00 0.43 0.00 0.00 52.55 54.38 2nuw s ASP 253 Cb 0.06 -2.40 0.30 0.00 -0.30 0.00 0.00 42.92 40.57 2nuw s ASP 253 CO -0.09 -0.03 1.18 1.33 -0.17 0.00 0.00 175.17 177.39 2nuw n VAL 254 N 3.35 1.85 -0.90 1.11 0.24 -1.26 -4.89 118.33 117.82 2nuw n VAL 254 Ca -0.03 -2.07 0.00 0.00 -2.04 0.00 0.00 64.34 60.20 2nuw n VAL 254 Cb 0.51 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2nuw n VAL 254 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nuw n GLY 255 N -1.18 1.94 3.13 7.63 0.00 -1.26 -4.11 105.19 111.33 2nuw n GLY 255 Ca 0.15 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 2nuw n GLY 255 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nuw s TYR 256 N 0.00 0.69 1.01 1.61 2.02 -0.37 -4.83 117.35 117.49 2nuw s TYR 256 Ca 0.00 -1.01 -0.16 0.00 -0.37 0.00 0.00 57.07 55.53 2nuw s TYR 256 Cb 0.00 -0.45 0.21 0.00 -0.40 0.00 0.00 41.96 41.32 2nuw s TYR 256 CO 0.00 -0.29 1.23 -1.25 -1.57 0.00 0.00 175.55 173.68 2nuw s PRO 257 N -3.89 0.29 -0.18 -1.71 0.04 -1.26 -1.92 135.00 126.37 2nuw s PRO 257 Ca 0.10 -0.20 -0.00 0.00 0.04 0.00 0.00 61.00 60.94 2nuw s PRO 257 Cb 0.07 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.83 2nuw s PRO 257 CO -0.07 -2.68 -0.16 0.50 0.04 0.00 0.00 177.00 174.63 2nuw s ARG 258 N -5.67 3.13 0.23 4.56 3.52 -1.22 -4.55 118.95 118.96 2nuw s ARG 258 Ca 0.71 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 55.25 2nuw s ARG 258 Cb -0.07 -2.67 -0.15 0.00 -1.56 0.00 0.00 34.95 30.50 2nuw s ARG 258 CO 0.54 -0.13 0.95 -2.30 -0.81 0.00 0.00 175.30 173.54 2nuw n PRO 259 N 4.47 0.98 0.00 5.12 -0.02 -1.26 -2.19 135.00 142.10 2nuw n PRO 259 Ca -0.20 0.35 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 2nuw n PRO 259 Cb 0.51 -1.67 0.24 0.00 -0.02 0.00 0.00 33.50 32.55 2nuw n PRO 259 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2nuw n PRO 260 N 1.08 0.18 -3.05 0.52 -0.04 -1.26 -4.95 135.00 127.48 2nuw n PRO 260 Ca 0.13 0.13 -0.44 0.00 -0.04 0.00 0.00 63.50 63.28 2nuw n PRO 260 Cb 0.28 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.23 2nuw n PRO 260 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2nuw s ILE 261 N -2.37 5.23 0.30 0.52 -1.09 -0.93 -5.00 121.20 117.86 2nuw s ILE 261 Ca 0.10 -2.64 -0.29 0.00 -2.23 0.00 0.00 60.65 55.59 2nuw s ILE 261 Cb 0.06 -4.80 -0.10 0.00 -1.58 0.00 0.00 42.46 36.03 2nuw s ILE 261 CO 0.12 -1.48 1.39 -0.36 -1.23 0.00 0.00 174.94 173.38 2nuw s PHE 262 N 1.06 2.98 0.70 3.97 0.40 -1.26 -3.41 117.98 122.41 2nuw s PHE 262 Ca 0.37 1.20 -0.15 0.00 -0.60 0.00 0.00 56.93 57.76 2nuw s PHE 262 Cb -0.05 -3.79 0.02 0.00 0.51 0.00 0.00 43.02 39.71 2nuw s PHE 262 CO -0.04 -2.37 1.15 -2.14 0.70 0.00 0.00 175.22 172.53 2nuw s PRO 263 N -1.16 2.46 0.39 0.24 0.02 -1.26 -4.80 135.00 130.89 2nuw s PRO 263 Ca 0.54 1.55 -0.27 0.00 0.02 0.00 0.00 61.00 62.85 2nuw s PRO 263 Cb -0.41 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 2nuw s PRO 263 CO 0.50 -1.54 1.31 -0.51 -0.33 0.00 0.00 177.00 176.42 2nuw s LEU 264 N -5.04 4.26 0.88 -5.54 1.02 -1.26 -5.01 118.68 107.98 2nuw s LEU 264 Ca 0.70 2.67 -0.12 0.00 0.02 0.00 0.00 54.13 57.40 2nuw s LEU 264 Cb -0.24 -3.85 0.12 0.00 0.02 0.00 0.00 46.19 42.24 2nuw s LEU 264 CO 0.44 -0.79 1.16 0.42 0.02 0.00 0.00 176.35 177.59 2nuw s THR 265 N -1.24 1.99 0.29 5.49 -4.23 -1.26 -4.75 115.64 111.94 2nuw s THR 265 Ca 0.55 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.08 2nuw s THR 265 Cb -0.39 -2.85 0.29 0.00 1.34 0.00 0.00 72.50 70.89 2nuw s THR 265 CO 0.50 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.86 2nuw h ASP 266 N -1.35 0.91 0.27 3.99 3.32 -1.99 -1.00 116.42 120.56 2nuw h ASP 266 Ca -0.49 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.45 2nuw h ASP 266 Cb 1.33 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2nuw h ASP 266 CO 0.62 0.48 -0.63 -0.33 -1.72 0.00 0.00 179.24 177.67 2nuw h GLU 267 N 0.97 0.35 -0.34 3.56 4.39 -1.99 -2.47 114.58 119.05 2nuw h GLU 267 Ca 0.49 -0.24 -0.15 0.00 0.34 0.00 0.00 59.36 59.79 2nuw h GLU 267 Cb 0.50 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2nuw h GLU 267 CO -0.26 0.86 -0.40 0.93 -1.16 0.00 0.00 179.01 178.99 2nuw h GLU 268 N 0.25 0.86 -0.74 2.33 5.08 -1.74 -1.26 114.58 119.37 2nuw h GLU 268 Ca -0.01 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 2nuw h GLU 268 Cb 1.16 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2nuw h GLU 268 CO 0.10 1.12 0.32 0.00 -1.00 0.00 0.00 179.01 179.55 2nuw h ALA 269 N 0.73 1.17 -0.38 3.43 0.00 -1.21 0.23 119.26 123.23 2nuw h ALA 269 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2nuw h ALA 269 Cb 0.99 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2nuw h ALA 269 CO 0.09 0.61 0.02 -0.07 0.00 0.00 0.00 179.25 179.91 2nuw h LEU 270 N 1.07 0.64 -0.53 0.00 3.38 -1.31 -1.78 115.31 116.79 2nuw h LEU 270 Ca 0.25 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2nuw h LEU 270 Cb 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2nuw h LEU 270 CO -0.03 0.78 0.31 -1.28 0.09 0.00 0.00 178.44 178.31 2nuw h SER 271 N 0.48 0.63 -0.42 -0.43 0.87 -0.77 -2.23 113.55 111.68 2nuw h SER 271 Ca 0.11 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2nuw h SER 271 Cb 0.44 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2nuw h SER 271 CO 0.02 0.51 0.25 0.25 -0.53 0.00 0.00 176.83 177.32 2nuw h LEU 272 N 0.70 0.40 -1.07 2.23 5.85 -0.42 -2.31 115.31 120.69 2nuw h LEU 272 Ca 0.19 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2nuw h LEU 272 Cb -0.01 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2nuw h LEU 272 CO -0.03 0.29 0.29 0.11 -0.34 0.00 0.00 178.44 178.75 2nuw h LYS 273 N 0.50 0.95 -0.38 1.25 1.57 -1.13 -1.65 116.57 117.66 2nuw h LYS 273 Ca 0.17 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2nuw h LYS 273 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2nuw h LYS 273 CO -0.08 0.75 0.03 0.00 -0.57 0.00 0.00 179.45 179.59 2nuw h ARG 274 N 0.94 0.66 -0.72 3.15 3.08 -1.17 -2.50 114.38 117.82 2nuw h ARG 274 Ca 0.23 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2nuw h ARG 274 Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2nuw h ARG 274 CO -0.02 0.74 0.22 0.93 -1.07 0.00 0.00 179.97 180.76 2nuw h GLU 275 N 0.49 1.12 -0.00 0.04 5.08 -0.96 -3.02 114.58 117.33 2nuw h GLU 275 Ca 0.11 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2nuw h GLU 275 Cb 0.42 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2nuw h GLU 275 CO 0.01 0.97 -0.14 0.44 -1.00 0.00 0.00 179.01 179.29 2nuw n ILE 276 N -4.27 0.00 -0.11 3.13 -5.35 -0.66 -4.37 119.36 107.73 2nuw n ILE 276 Ca 0.06 -0.01 -0.06 0.00 -0.27 0.00 0.00 62.75 62.47 2nuw n ILE 276 Cb 0.23 -0.27 0.01 0.00 -1.74 0.00 0.00 39.64 37.87 2nuw n ILE 276 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2nuw h GLU 277 N 0.05 -0.11 -0.27 6.28 4.57 -1.31 0.41 114.58 124.20 2nuw h GLU 277 Ca 0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 2nuw h GLU 277 Cb 0.48 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2nuw h GLU 277 CO 0.00 -0.08 0.07 -1.35 -1.18 0.00 0.00 179.01 176.48 2nuw h PRO 278 N -0.12 0.38 -0.19 0.92 0.11 -1.81 -1.96 132.00 129.34 2nuw h PRO 278 Ca 0.19 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.06 2nuw h PRO 278 Cb 0.41 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2nuw h PRO 278 CO -0.45 0.35 -0.64 -0.07 -0.21 0.00 0.00 178.00 176.98 2nuw h LEU 279 N 0.38 0.78 -0.61 2.35 3.38 -1.47 -2.59 115.31 117.52 2nuw h LEU 279 Ca 0.09 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2nuw h LEU 279 Cb 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2nuw h LEU 279 CO -0.01 1.22 0.20 0.50 0.09 0.00 0.00 178.44 180.45 2nuw h LYS 280 N 0.50 0.93 -0.16 1.13 3.64 -0.56 -1.24 116.57 120.81 2nuw h LYS 280 Ca -0.01 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 2nuw h LYS 280 Cb 1.23 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2nuw h LYS 280 CO 0.13 0.82 0.05 0.00 -2.27 0.00 0.00 179.45 178.17 2nuw h ARG 281 N 0.86 0.12 -0.82 1.90 3.08 -1.34 -0.24 114.38 117.93 2nuw h ARG 281 Ca 0.20 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2nuw h ARG 281 Cb 0.27 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2nuw h ARG 281 CO -0.01 0.08 0.43 0.87 -1.07 0.00 0.00 179.97 180.26 2nuw h LYS 282 N 0.12 1.16 0.06 0.04 1.57 -1.28 -1.52 116.57 116.72 2nuw h LYS 282 Ca 0.07 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2nuw h LYS 282 Cb 0.05 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2nuw h LYS 282 CO -0.08 0.88 -0.03 0.82 -0.57 0.00 0.00 179.45 180.47 2nuw h ILE 283 N 1.15 1.08 0.00 1.86 2.04 -0.99 -2.54 117.51 120.12 2nuw h ILE 283 Ca 0.29 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2nuw h ILE 283 Cb 0.07 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2nuw h ILE 283 CO -0.04 0.12 -0.07 1.56 0.00 0.00 0.00 178.15 179.71 2nuw h GLN 284 N -0.29 0.00 -0.04 2.37 4.20 -0.95 0.15 115.11 120.56 2nuw h GLN 284 Ca -0.01 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 2nuw h GLN 284 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2nuw h GLN 284 CO 0.01 0.07 -0.77 1.49 -0.67 0.00 0.00 178.83 178.97 2nuw h GLU 285 N 0.00 0.26 0.00 1.46 4.81 -1.09 -3.30 114.58 116.72 2nuw h GLU 285 Ca -0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2nuw h GLU 285 Cb 0.33 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2nuw h GLU 285 CO 0.01 0.91 -1.29 1.28 -0.73 0.00 0.00 179.01 179.18 2nuw n LEU 286 N -3.76 0.51 -3.83 1.64 4.77 -0.41 -4.82 117.00 111.09 2nuw n LEU 286 Ca -0.04 0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.69 2nuw n LEU 286 Cb 0.73 -0.06 -0.17 0.00 -2.33 0.00 0.00 43.42 41.60 2nuw n LEU 286 CO 0.47 0.00 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.44 2nuw s VAL 287 N -3.31 0.84 0.00 4.08 1.01 0.41 -5.10 120.40 118.33 2nuw s VAL 287 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2nuw s VAL 287 Cb 0.13 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2nuw s VAL 287 CO 0.83 0.06 0.00 0.00 0.00 0.00 0.00 175.10 176.00