#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw0 n ASP 5 N 0.00 1.97 -4.56 -0.99 2.03 -1.26 -5.07 116.55 108.68 1bw0 n ASP 5 Ca 0.00 -2.99 -0.39 0.00 0.52 0.00 0.00 54.79 51.92 1bw0 n ASP 5 Cb 0.00 -0.68 -0.10 0.00 -0.72 0.00 0.00 41.12 39.62 1bw0 n ASP 5 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1bw0 s VAL 6 N -1.26 5.28 0.25 5.18 1.01 -1.26 -5.08 120.40 124.53 1bw0 s VAL 6 Ca 0.31 -0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.39 1bw0 s VAL 6 Cb 0.04 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1bw0 s VAL 6 CO -0.14 0.08 -0.20 -0.94 0.00 0.00 0.00 175.10 173.90 1bw0 s SER 7 N 1.73 3.45 0.74 3.32 1.04 -1.26 -5.13 113.70 117.59 1bw0 s SER 7 Ca 0.07 -1.00 -0.13 0.00 0.48 0.00 0.00 55.95 55.38 1bw0 s SER 7 Cb -0.17 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.72 1bw0 s SER 7 CO 0.11 0.03 1.13 -0.32 0.98 0.00 0.00 173.24 175.17 1bw0 s MET 8 N -3.35 2.29 0.80 4.02 -2.45 -1.26 -5.02 119.30 114.33 1bw0 s MET 8 Ca 0.27 1.41 -0.11 0.00 -1.25 0.00 0.00 55.69 56.01 1bw0 s MET 8 Cb -0.05 -1.89 0.07 0.00 1.25 0.00 0.00 34.83 34.22 1bw0 s MET 8 CO 0.13 -1.65 1.09 -1.54 1.05 0.00 0.00 175.02 174.11 1bw0 s SER 9 N -2.73 4.40 0.16 1.11 1.04 -1.26 -4.87 113.70 111.55 1bw0 s SER 9 Ca 0.67 1.39 -0.10 0.00 0.48 0.00 0.00 55.95 58.38 1bw0 s SER 9 Cb -0.21 -2.12 0.01 0.00 0.10 0.00 0.00 66.02 63.80 1bw0 s SER 9 CO 0.49 -2.04 1.55 0.78 0.98 0.00 0.00 173.24 175.00 1bw0 h ASN 10 N -1.14 1.02 -0.31 7.02 2.35 -1.97 0.76 115.58 123.31 1bw0 h ASN 10 Ca -0.47 -0.39 0.07 0.00 -0.55 0.00 0.00 56.30 54.96 1bw0 h ASN 10 Cb 1.26 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 39.27 1bw0 h ASN 10 CO 0.58 1.19 -0.29 -0.74 -1.65 0.00 0.00 177.43 176.52 1bw0 h HIS 11 N 0.85 -0.79 -0.73 1.19 -0.00 -1.93 0.10 115.15 113.84 1bw0 h HIS 11 Ca 0.11 0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.48 1bw0 h HIS 11 Cb 0.81 0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 28.58 1bw0 h HIS 11 CO 0.05 -0.36 0.27 0.00 -0.00 0.00 0.00 177.93 177.89 1bw0 h ALA 12 N 0.74 1.09 -0.75 5.26 0.00 -1.85 -2.82 119.26 120.92 1bw0 h ALA 12 Ca 0.15 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.00 1bw0 h ALA 12 Cb 0.51 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1bw0 h ALA 12 CO -0.46 0.64 0.50 0.78 0.00 0.00 0.00 179.25 180.71 1bw0 h GLY 13 N 1.11 0.76 0.91 0.00 0.00 0.10 -1.81 103.07 104.14 1bw0 h GLY 13 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1bw0 h GLY 13 CO -0.02 0.08 -0.11 1.04 0.00 0.00 0.00 176.54 177.53 1bw0 n LEU 14 N -4.49 0.47 -4.65 3.11 4.77 -0.38 -4.87 117.00 110.97 1bw0 n LEU 14 Ca 0.14 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 1bw0 n LEU 14 Cb 0.49 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1bw0 n LEU 14 CO 0.33 0.09 1.00 -0.69 -1.33 0.00 0.00 177.39 176.79 1bw0 s VAL 15 N -2.49 4.45 -0.03 4.08 1.01 -0.68 -4.14 120.40 122.61 1bw0 s VAL 15 Ca 0.28 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1bw0 s VAL 15 Cb 0.20 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1bw0 s VAL 15 CO 0.48 -0.32 0.02 0.12 0.00 0.00 0.00 175.10 175.40 1bw0 s PHE 16 N 3.60 0.17 -0.34 5.22 5.36 -1.26 -5.09 117.98 125.64 1bw0 s PHE 16 Ca 0.49 0.07 0.02 0.00 -0.96 0.00 0.00 56.93 56.55 1bw0 s PHE 16 Cb -0.16 -0.34 0.09 0.00 -0.34 0.00 0.00 43.02 42.28 1bw0 s PHE 16 CO 0.14 -0.12 0.06 1.21 -1.46 0.00 0.00 175.22 175.05 1bw0 s ASN 17 N 1.12 4.83 0.25 6.13 3.84 -1.26 -4.52 114.94 125.34 1bw0 s ASN 17 Ca -0.08 -1.98 -0.03 0.00 0.21 0.00 0.00 52.86 50.98 1bw0 s ASN 17 Cb -0.13 -1.66 0.45 0.00 -0.55 0.00 0.00 41.25 39.35 1bw0 s ASN 17 CO -0.02 -0.38 1.81 1.55 -2.79 0.00 0.00 177.10 177.26 1bw0 h PRO 18 N 7.74 0.77 -0.41 0.43 0.13 -1.92 -1.49 132.00 137.25 1bw0 h PRO 18 Ca -0.09 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1bw0 h PRO 18 Cb 1.03 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 1bw0 h PRO 18 CO 0.55 0.51 0.25 0.82 -0.23 0.00 0.00 178.00 179.90 1bw0 h ILE 19 N 0.80 1.13 -0.27 -3.56 2.04 -1.95 -2.51 117.51 113.18 1bw0 h ILE 19 Ca 0.43 -0.28 -0.18 0.00 1.00 0.00 0.00 64.86 65.83 1bw0 h ILE 19 Cb 0.44 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1bw0 h ILE 19 CO -0.27 0.13 -0.54 0.03 0.00 0.00 0.00 178.15 177.50 1bw0 h ARG 20 N 0.54 0.82 -0.06 2.37 3.08 -1.89 -2.09 114.38 117.15 1bw0 h ARG 20 Ca 0.15 -0.51 0.04 0.00 0.07 0.00 0.00 59.98 59.72 1bw0 h ARG 20 Cb -0.01 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1bw0 h ARG 20 CO -0.03 1.14 -0.21 1.15 -1.07 0.00 0.00 179.97 180.95 1bw0 h THR 21 N 0.63 0.49 -0.54 2.04 2.02 -1.17 0.62 112.91 116.99 1bw0 h THR 21 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1bw0 h THR 21 Cb 1.13 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1bw0 h THR 21 CO 0.12 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.94 1bw0 h VAL 22 N -0.31 1.12 0.46 3.16 2.07 -1.49 -1.30 116.25 119.97 1bw0 h VAL 22 Ca 0.08 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1bw0 h VAL 22 Cb 0.42 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1bw0 h VAL 22 CO -0.24 0.13 -0.22 0.28 0.02 0.00 0.00 177.57 177.54 1bw0 h SER 23 N 0.72 -0.52 -0.26 0.57 0.02 -0.71 -2.17 113.55 111.20 1bw0 h SER 23 Ca 0.20 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1bw0 h SER 23 Cb -0.06 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1bw0 h SER 23 CO -0.05 -0.23 0.15 0.44 -1.14 0.00 0.00 176.83 175.99 1bw0 h ASP 24 N -0.81 0.33 -0.05 3.07 3.32 0.23 -2.13 116.42 120.38 1bw0 h ASP 24 Ca -0.06 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1bw0 h ASP 24 Cb 0.56 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1bw0 h ASP 24 CO 0.10 0.27 0.00 0.59 -1.72 0.00 0.00 179.24 178.48 1bw0 n ASN 25 N -4.46 1.49 -4.70 6.45 5.03 -0.49 -4.90 115.26 113.68 1bw0 n ASN 25 Ca 0.01 -1.53 -0.42 0.00 0.87 0.00 0.00 54.58 53.51 1bw0 n ASN 25 Cb 0.10 -0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 38.80 1bw0 n ASN 25 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bw0 s ALA 26 N -1.95 3.62 0.36 5.41 0.00 -0.80 -4.98 121.76 123.42 1bw0 s ALA 26 Ca 0.37 1.05 -0.27 0.00 0.00 0.00 0.00 51.96 53.11 1bw0 s ALA 26 Cb 0.20 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1bw0 s ALA 26 CO 0.32 -0.87 1.18 0.15 0.00 0.00 0.00 175.76 176.54 1bw0 s LYS 27 N 2.04 4.24 0.35 0.00 1.02 -1.26 -4.97 119.74 121.15 1bw0 s LYS 27 Ca 0.67 1.89 -0.28 0.00 0.02 0.00 0.00 55.97 58.27 1bw0 s LYS 27 Cb -0.36 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 33.99 1bw0 s LYS 27 CO 0.29 -0.17 1.40 -1.25 -0.92 0.00 0.00 175.35 174.69 1bw0 s PRO 28 N -2.03 4.24 0.16 -1.68 0.04 -1.26 -4.90 135.00 129.57 1bw0 s PRO 28 Ca 0.53 2.38 -0.30 0.00 0.04 0.00 0.00 61.00 63.65 1bw0 s PRO 28 Cb -0.32 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 1bw0 s PRO 28 CO 0.41 -0.36 0.98 0.45 0.04 0.00 0.00 177.00 178.53 1bw0 s SER 29 N -0.29 7.50 0.50 6.66 0.15 -1.26 -4.96 113.70 122.00 1bw0 s SER 29 Ca 0.51 1.89 0.30 0.00 0.70 0.00 0.00 55.95 59.35 1bw0 s SER 29 Cb -0.43 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.29 1bw0 s SER 29 CO 0.57 -0.03 1.85 1.55 1.20 0.00 0.00 173.24 178.38 1bw0 h PRO 30 N 5.11 0.00 -6.44 5.44 0.13 -1.89 -3.45 132.00 130.90 1bw0 h PRO 30 Ca -0.44 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 1bw0 h PRO 30 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1bw0 h PRO 30 CO 0.71 0.00 0.90 0.45 -0.23 0.00 0.00 178.00 179.83 1bw0 s SER 31 N -5.78 6.71 -1.40 1.44 0.15 -1.25 -4.92 113.70 108.66 1bw0 s SER 31 Ca 0.03 2.34 -0.12 0.00 0.70 0.00 0.00 55.95 58.90 1bw0 s SER 31 Cb 0.08 -2.57 0.08 0.00 -1.71 0.00 0.00 66.02 61.91 1bw0 s SER 31 CO 0.58 -0.80 2.12 -0.81 1.20 0.00 0.00 173.24 175.53 1bw0 n PRO 32 N 5.26 3.17 -3.75 5.44 -0.05 -1.26 -4.83 135.00 138.98 1bw0 n PRO 32 Ca 0.14 -2.94 -0.13 0.00 -0.05 0.00 0.00 63.50 60.52 1bw0 n PRO 32 Cb 0.42 -3.14 -0.14 0.00 -0.05 0.00 0.00 33.50 30.59 1bw0 n PRO 32 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 175.50 175.60 1bw0 s LYS 33 N 2.10 0.12 -0.16 0.54 1.02 -1.26 -5.10 119.74 117.00 1bw0 s LYS 33 Ca 0.45 0.40 -0.35 0.00 0.02 0.00 0.00 55.97 56.48 1bw0 s LYS 33 Cb 0.13 -0.15 -0.12 0.00 -0.52 0.00 0.00 37.83 37.16 1bw0 s LYS 33 CO -0.05 -0.16 1.92 -0.35 -0.92 0.00 0.00 175.35 175.79 1bw0 n PRO 34 N 4.15 1.88 -1.55 -1.68 -0.05 -1.26 -4.86 135.00 131.63 1bw0 n PRO 34 Ca -0.26 0.67 -0.41 0.00 -0.05 0.00 0.00 63.50 63.46 1bw0 n PRO 34 Cb 0.52 -2.57 0.02 0.00 -0.05 0.00 0.00 33.50 31.42 1bw0 n PRO 34 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 175.50 176.96 1bw0 n ILE 35 N 5.46 2.36 -3.80 0.52 3.06 -1.26 -4.98 119.36 120.71 1bw0 n ILE 35 Ca 0.26 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.71 1bw0 n ILE 35 Cb 0.27 -0.92 -0.15 0.00 0.54 0.00 0.00 39.64 39.38 1bw0 n ILE 35 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1bw0 s ILE 36 N -1.40 1.30 -0.10 9.51 1.01 -0.68 -5.04 121.20 125.80 1bw0 s ILE 36 Ca 0.65 -1.80 -0.27 0.00 0.00 0.00 0.00 60.65 59.23 1bw0 s ILE 36 Cb -0.55 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1bw0 s ILE 36 CO 0.56 -0.69 0.90 -0.54 0.00 0.00 0.00 174.94 175.17 1bw0 s LYS 37 N 1.26 4.41 -0.00 2.79 1.02 -1.26 -1.92 119.74 126.04 1bw0 s LYS 37 Ca 0.11 1.21 0.01 0.00 0.02 0.00 0.00 55.97 57.32 1bw0 s LYS 37 Cb -0.19 -3.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1bw0 s LYS 37 CO -0.18 -0.22 0.86 1.28 -0.92 0.00 0.00 175.35 176.18 1bw0 n LEU 38 N 4.70 1.42 -0.07 3.17 4.77 0.05 -4.76 117.00 126.27 1bw0 n LEU 38 Ca 0.05 -1.46 0.07 0.00 -0.03 0.00 0.00 56.01 54.65 1bw0 n LEU 38 Cb 0.50 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1bw0 n LEU 38 CO 0.50 0.36 0.02 -1.54 -1.33 0.00 0.00 177.39 175.40 1bw0 n SER 39 N -0.38 0.86 -4.51 -1.43 3.41 -1.04 -1.90 113.62 108.63 1bw0 n SER 39 Ca 0.01 -0.93 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 1bw0 n SER 39 Cb 0.34 0.90 -0.08 0.00 -0.26 0.00 0.00 64.21 65.11 1bw0 n SER 39 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bw0 s VAL 40 N -2.28 5.06 -0.35 -3.33 1.01 -1.26 -4.88 120.40 114.36 1bw0 s VAL 40 Ca 0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1bw0 s VAL 40 Cb 0.11 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.34 1bw0 s VAL 40 CO 0.56 -0.36 2.45 0.61 0.00 0.00 0.00 175.10 178.36 1bw0 n GLY 41 N 5.03 2.64 3.16 4.51 0.00 -1.26 -4.79 105.19 114.48 1bw0 n GLY 41 Ca -0.06 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1bw0 n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bw0 s ASP 42 N 2.62 3.76 0.00 1.61 -1.08 -1.26 -5.01 116.67 117.31 1bw0 s ASP 42 Ca 0.44 -0.76 0.25 0.00 -0.52 0.00 0.00 52.55 51.97 1bw0 s ASP 42 Cb 0.18 -1.57 1.28 0.00 -1.46 0.00 0.00 42.92 41.35 1bw0 s ASP 42 CO -0.01 -0.06 1.85 -0.81 0.52 0.00 0.00 175.17 176.66 1bw0 n PRO 43 N 4.64 1.27 0.00 4.34 -0.04 -1.26 -3.52 135.00 140.42 1bw0 n PRO 43 Ca -0.19 -0.40 0.09 0.00 -0.04 0.00 0.00 63.50 62.97 1bw0 n PRO 43 Cb 0.48 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1bw0 n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1bw0 n THR 44 N -0.46 0.00 -0.25 0.52 -2.24 -1.26 -4.46 114.28 106.12 1bw0 n THR 44 Ca 0.19 -0.27 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 1bw0 n THR 44 Cb 0.19 1.19 0.18 0.00 -2.10 0.00 0.00 70.33 69.78 1bw0 n THR 44 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1bw0 h LEU 45 N 1.81 -0.15 -1.58 3.22 3.38 -1.95 -2.96 115.31 117.07 1bw0 h LEU 45 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1bw0 h LEU 45 Cb 0.61 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1bw0 h LEU 45 CO 0.00 -0.11 -0.09 0.47 0.09 0.00 0.00 178.44 178.80 1bw0 n ASP 46 N -5.25 2.46 -1.38 -0.43 8.00 -1.26 -4.97 116.55 113.72 1bw0 n ASP 46 Ca 0.14 -1.73 -0.13 0.00 0.71 0.00 0.00 54.79 53.78 1bw0 n ASP 46 Cb 0.48 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 1bw0 n ASP 46 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bw0 n LYS 47 N 0.85 -1.03 0.02 -1.24 5.02 -1.12 -4.87 118.16 115.79 1bw0 n LYS 47 Ca 0.11 0.75 0.11 0.00 -2.02 0.00 0.00 58.31 57.26 1bw0 n LYS 47 Cb 0.47 -4.95 -0.12 0.00 -0.02 0.00 0.00 35.03 30.42 1bw0 n LYS 47 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1bw0 n ASN 48 N -0.45 0.25 -4.09 4.39 6.94 -1.26 -4.80 115.26 116.25 1bw0 n ASN 48 Ca -0.15 0.07 -0.32 0.00 -0.02 0.00 0.00 54.58 54.16 1bw0 n ASN 48 Cb 0.57 1.55 -0.16 0.00 -2.36 0.00 0.00 39.78 39.38 1bw0 n ASN 48 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1bw0 s LEU 49 N -4.72 2.77 0.16 -4.53 1.43 -1.26 -5.07 118.68 107.46 1bw0 s LEU 49 Ca -0.06 -1.03 0.08 0.00 -1.03 0.00 0.00 54.13 52.09 1bw0 s LEU 49 Cb 0.13 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1bw0 s LEU 49 CO 0.88 -0.10 -0.04 -0.76 0.23 0.00 0.00 176.35 176.55 1bw0 s LEU 50 N 1.21 3.18 0.61 1.79 1.43 -1.26 -4.79 118.68 120.85 1bw0 s LEU 50 Ca -0.02 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 1bw0 s LEU 50 Cb -0.17 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1bw0 s LEU 50 CO -0.09 0.11 1.03 0.28 0.23 0.00 0.00 176.35 177.91 1bw0 s THR 51 N -1.64 4.44 0.57 5.49 -1.32 -1.26 -4.87 115.64 117.05 1bw0 s THR 51 Ca 0.26 0.90 -0.20 0.00 -1.21 0.00 0.00 61.69 61.44 1bw0 s THR 51 Cb -0.09 -3.69 -0.04 0.00 -1.51 0.00 0.00 72.50 67.16 1bw0 s THR 51 CO 0.17 -0.94 1.22 -0.94 -2.21 0.00 0.00 174.62 171.93 1bw0 s SER 52 N -3.75 5.34 0.32 8.08 1.04 -1.26 -4.93 113.70 118.54 1bw0 s SER 52 Ca 0.57 2.44 0.10 0.00 0.48 0.00 0.00 55.95 59.53 1bw0 s SER 52 Cb -0.12 -2.61 0.54 0.00 0.10 0.00 0.00 66.02 63.94 1bw0 s SER 52 CO 0.48 -1.50 1.74 0.00 0.98 0.00 0.00 173.24 174.94 1bw0 h ALA 53 N 1.14 1.20 -0.67 5.32 0.00 -1.98 -2.49 119.26 121.78 1bw0 h ALA 53 Ca -0.50 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 53.97 1bw0 h ALA 53 Cb 1.29 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1bw0 h ALA 53 CO 0.56 0.57 0.31 0.00 0.00 0.00 0.00 179.25 180.69 1bw0 h ALA 54 N 1.48 0.86 0.05 0.00 0.00 -1.91 -0.58 119.26 119.15 1bw0 h ALA 54 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1bw0 h ALA 54 Cb 0.80 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1bw0 h ALA 54 CO 0.06 0.44 -0.02 0.37 0.00 0.00 0.00 179.25 180.10 1bw0 h GLN 55 N 0.93 -0.06 -0.23 0.00 4.15 -1.76 -2.32 115.11 115.83 1bw0 h GLN 55 Ca 0.23 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.71 1bw0 h GLN 55 Cb 0.14 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 1bw0 h GLN 55 CO -0.03 0.28 -0.14 0.82 -1.93 0.00 0.00 178.83 177.83 1bw0 h ILE 56 N -0.40 0.58 -0.04 2.39 2.04 -1.32 -1.28 117.51 119.48 1bw0 h ILE 56 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1bw0 h ILE 56 Cb 0.36 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1bw0 h ILE 56 CO 0.01 0.00 -0.05 0.50 0.00 0.00 0.00 178.15 178.61 1bw0 h LYS 57 N -0.13 -0.06 -0.51 2.37 3.64 -1.12 -2.08 116.57 118.68 1bw0 h LYS 57 Ca 0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1bw0 h LYS 57 Cb 0.32 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1bw0 h LYS 57 CO -0.31 -0.04 0.28 -0.22 -2.27 0.00 0.00 179.45 176.89 1bw0 h LYS 58 N -0.07 0.70 -0.40 1.90 1.63 -1.21 -2.06 116.57 117.07 1bw0 h LYS 58 Ca 0.04 -0.08 0.07 0.00 -0.85 0.00 0.00 60.65 59.83 1bw0 h LYS 58 Cb 0.12 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.54 1bw0 h LYS 58 CO -0.08 0.54 0.00 1.25 -3.45 0.00 0.00 179.45 177.71 1bw0 h LEU 59 N 0.67 -0.16 -1.41 5.20 5.85 -1.06 -0.37 115.31 124.03 1bw0 h LEU 59 Ca 0.18 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1bw0 h LEU 59 Cb 0.04 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1bw0 h LEU 59 CO -0.03 -0.04 0.37 0.11 -0.34 0.00 0.00 178.44 178.51 1bw0 h LYS 60 N 0.11 0.77 -0.08 1.25 1.57 -1.05 -2.51 116.57 116.62 1bw0 h LYS 60 Ca 0.20 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1bw0 h LYS 60 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1bw0 h LYS 60 CO -0.33 0.52 -0.61 0.93 -0.57 0.00 0.00 179.45 179.39 1bw0 h GLU 61 N 0.79 0.29 -0.40 3.15 5.08 -0.52 -1.19 114.58 121.77 1bw0 h GLU 61 Ca 0.21 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1bw0 h GLU 61 Cb -0.08 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1bw0 h GLU 61 CO -0.04 0.81 -0.21 0.00 -1.00 0.00 0.00 179.01 178.56 1bw0 h ALA 62 N 1.15 0.87 -0.19 3.43 0.00 -0.70 -0.54 119.26 123.27 1bw0 h ALA 62 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1bw0 h ALA 62 Cb 1.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1bw0 h ALA 62 CO 0.10 0.63 -0.00 0.82 0.00 0.00 0.00 179.25 180.80 1bw0 h ILE 63 N 0.69 1.26 -0.04 0.00 2.04 -1.38 -3.16 117.51 116.91 1bw0 h ILE 63 Ca 0.10 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 1bw0 h ILE 63 Cb 0.73 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1bw0 h ILE 63 CO 0.06 0.27 -0.35 0.44 0.00 0.00 0.00 178.15 178.56 1bw0 h ASP 64 N 0.10 0.08 0.96 1.72 3.32 -1.05 -3.00 116.42 118.55 1bw0 h ASP 64 Ca 0.05 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1bw0 h ASP 64 Cb 0.40 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1bw0 h ASP 64 CO 0.01 0.43 0.00 0.77 -1.72 0.00 0.00 179.24 178.73 1bw0 h SER 65 N 0.07 0.00 -5.02 6.45 4.64 -1.06 -3.47 113.55 115.16 1bw0 h SER 65 Ca 0.01 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.98 1bw0 h SER 65 Cb 0.66 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.70 1bw0 h SER 65 CO 0.05 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 175.51 1bw0 n GLN 66 N -2.67 -3.29 0.00 4.77 6.02 -1.14 -4.76 117.38 116.31 1bw0 n GLN 66 Ca 0.02 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 1bw0 n GLN 66 Cb 0.29 -5.23 0.00 0.00 1.02 0.00 0.00 30.24 26.32 1bw0 n GLN 66 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1bw0 n GLU 67 N -3.55 0.73 -0.34 -1.09 1.02 -1.26 -4.68 120.64 111.47 1bw0 n GLU 67 Ca -0.05 -0.82 0.08 0.00 -0.02 0.00 0.00 57.16 56.34 1bw0 n GLU 67 Cb 0.56 -0.89 0.16 0.00 -0.02 0.00 0.00 31.44 31.25 1bw0 n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bw0 n ASN 69 N -1.19 0.63 -2.39 0.00 3.02 -1.26 -3.67 115.26 110.40 1bw0 n ASN 69 Ca 0.16 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 1bw0 n ASN 69 Cb 0.68 1.48 0.00 0.00 -0.61 0.00 0.00 39.78 41.32 1bw0 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bw0 n GLY 70 N 1.40 -1.84 3.69 7.41 0.00 -1.26 -4.99 105.19 109.59 1bw0 n GLY 70 Ca -0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1bw0 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bw0 s TYR 71 N -0.89 3.50 0.41 1.61 2.02 -1.26 -4.90 117.35 117.85 1bw0 s TYR 71 Ca 0.00 1.41 0.01 0.00 -0.37 0.00 0.00 57.07 58.12 1bw0 s TYR 71 Cb 0.00 -3.05 -0.01 0.00 -0.40 0.00 0.00 41.96 38.50 1bw0 s TYR 71 CO 0.00 -0.15 0.63 -0.06 -1.57 0.00 0.00 175.55 174.39 1bw0 s PHE 72 N 1.74 3.30 0.56 2.71 0.40 -1.26 -5.05 117.98 120.38 1bw0 s PHE 72 Ca 0.43 0.25 -0.20 0.00 -0.60 0.00 0.00 56.93 56.80 1bw0 s PHE 72 Cb -0.18 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.12 1bw0 s PHE 72 CO 0.17 -0.20 1.10 -2.30 0.70 0.00 0.00 175.22 174.69 1bw0 n PRO 73 N -1.97 1.22 0.10 0.24 -0.02 -1.26 -4.89 135.00 128.41 1bw0 n PRO 73 Ca -0.00 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1bw0 n PRO 73 Cb 0.57 -2.29 0.54 0.00 -0.02 0.00 0.00 33.50 32.30 1bw0 n PRO 73 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1bw0 h THR 74 N 0.94 1.02 0.00 3.45 1.35 -1.96 -0.49 112.91 117.22 1bw0 h THR 74 Ca -0.49 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1bw0 h THR 74 Cb 1.34 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1bw0 h THR 74 CO 0.54 0.05 0.00 1.33 -0.25 0.00 0.00 175.52 177.19 1bw0 n VAL 75 N -4.50 0.67 0.00 6.82 0.24 -1.26 -3.83 118.33 116.48 1bw0 n VAL 75 Ca 0.02 0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1bw0 n VAL 75 Cb 0.14 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.63 1bw0 n VAL 75 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bw0 n GLY 76 N 0.58 3.15 3.79 7.63 0.00 -0.19 -0.23 105.19 119.91 1bw0 n GLY 76 Ca 0.04 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 1bw0 n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bw0 s SER 77 N 0.00 6.23 0.22 1.61 1.04 -1.26 -4.52 113.70 117.02 1bw0 s SER 77 Ca 0.00 2.06 -0.10 0.00 0.48 0.00 0.00 55.95 58.39 1bw0 s SER 77 Cb 0.00 -2.58 0.32 0.00 0.10 0.00 0.00 66.02 63.86 1bw0 s SER 77 CO 0.00 -0.86 1.67 -0.65 0.98 0.00 0.00 173.24 174.38 1bw0 h PRO 78 N 1.69 0.14 -0.44 4.02 0.11 -1.97 -0.48 132.00 135.07 1bw0 h PRO 78 Ca -0.49 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1bw0 h PRO 78 Cb 1.23 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1bw0 h PRO 78 CO 0.59 0.09 0.06 1.49 -0.21 0.00 0.00 178.00 180.03 1bw0 h GLU 79 N 0.14 0.18 -0.40 1.05 4.81 -1.98 0.63 114.58 119.02 1bw0 h GLU 79 Ca 0.34 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1bw0 h GLU 79 Cb 0.55 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1bw0 h GLU 79 CO -0.52 0.12 0.08 0.00 -0.73 0.00 0.00 179.01 177.96 1bw0 h ALA 80 N 1.35 0.53 -0.59 2.92 0.00 -1.43 -2.25 119.26 119.79 1bw0 h ALA 80 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bw0 h ALA 80 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1bw0 h ALA 80 CO -0.31 0.22 0.28 0.00 0.00 0.00 0.00 179.25 179.44 1bw0 h ARG 81 N 0.51 0.84 -0.41 0.00 3.08 -0.71 -1.78 114.38 115.91 1bw0 h ARG 81 Ca 0.12 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1bw0 h ARG 81 Cb 0.34 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1bw0 h ARG 81 CO 0.00 0.66 -0.14 1.49 -1.07 0.00 0.00 179.97 180.91 1bw0 h GLU 82 N 0.84 0.82 -0.90 0.04 4.57 -0.72 -2.11 114.58 117.11 1bw0 h GLU 82 Ca 0.21 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1bw0 h GLU 82 Cb 0.10 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 1bw0 h GLU 82 CO -0.03 0.96 0.59 0.00 -1.18 0.00 0.00 179.01 179.35 1bw0 h ALA 83 N 0.83 1.17 0.35 2.92 0.00 -0.90 0.13 119.26 123.76 1bw0 h ALA 83 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1bw0 h ALA 83 Cb 0.69 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bw0 h ALA 83 CO 0.05 0.49 -0.17 0.28 0.00 0.00 0.00 179.25 179.90 1bw0 h VAL 84 N 1.18 0.66 -0.38 0.00 2.07 -1.20 -0.46 116.25 118.12 1bw0 h VAL 84 Ca 0.34 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1bw0 h VAL 84 Cb -0.07 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1bw0 h VAL 84 CO -0.10 0.06 -0.16 0.00 0.02 0.00 0.00 177.57 177.39 1bw0 h ALA 85 N -0.04 0.13 -0.06 1.67 0.00 -0.99 -1.34 119.26 118.63 1bw0 h ALA 85 Ca -0.05 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1bw0 h ALA 85 Cb 0.46 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1bw0 h ALA 85 CO 0.08 -0.53 0.03 1.15 0.00 0.00 0.00 179.25 179.98 1bw0 h THR 86 N -0.09 1.06 -0.29 0.00 2.02 -0.70 -1.55 112.91 113.36 1bw0 h THR 86 Ca 0.19 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1bw0 h THR 86 Cb 0.38 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1bw0 h THR 86 CO -0.44 0.05 0.18 -0.25 0.37 0.00 0.00 175.52 175.43 1bw0 h TRP 87 N 0.03 0.38 -0.54 3.16 7.01 -0.88 -1.11 115.95 124.00 1bw0 h TRP 87 Ca 0.02 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1bw0 h TRP 87 Cb 0.06 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 1bw0 h TRP 87 CO -0.05 0.26 0.23 2.35 -2.79 0.00 0.00 178.44 178.44 1bw0 h TRP 88 N 0.38 0.81 0.22 2.65 2.91 -1.22 -0.35 115.95 121.35 1bw0 h TRP 88 Ca 0.11 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.08 1bw0 h TRP 88 Cb -0.01 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 28.36 1bw0 h TRP 88 CO -0.05 0.65 -0.36 -0.09 -1.03 0.00 0.00 178.44 177.56 1bw0 h ARG 89 N 0.73 -0.64 -0.48 2.65 2.43 -1.11 -0.85 114.38 117.11 1bw0 h ARG 89 Ca 0.18 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1bw0 h ARG 89 Cb 0.18 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1bw0 h ARG 89 CO -0.02 -0.42 0.05 -0.91 -1.51 0.00 0.00 179.97 177.16 1bw0 h ASN 90 N -0.66 0.78 0.06 -3.80 2.35 -1.14 -2.84 115.58 110.33 1bw0 h ASN 90 Ca 0.00 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1bw0 h ASN 90 Cb 0.65 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1bw0 h ASN 90 CO -0.15 0.86 -0.03 0.28 -1.65 0.00 0.00 177.43 176.74 1bw0 h SER 91 N 0.68 -0.07 -0.24 5.81 0.02 -0.99 -3.42 113.55 115.34 1bw0 h SER 91 Ca 0.14 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1bw0 h SER 91 Cb 0.43 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1bw0 h SER 91 CO 0.01 0.62 0.00 0.49 -1.14 0.00 0.00 176.83 176.81 1bw0 n PHE 92 N -4.77 0.31 -3.90 3.45 3.72 -0.33 -4.87 117.46 111.06 1bw0 n PHE 92 Ca -0.06 -0.30 -0.35 0.00 -0.05 0.00 0.00 57.45 56.69 1bw0 n PHE 92 Cb 0.25 -0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 38.64 1bw0 n PHE 92 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1bw0 s VAL 93 N -1.02 2.97 -0.18 -4.37 1.01 -1.07 -4.40 120.40 113.33 1bw0 s VAL 93 Ca 0.22 -1.61 0.06 0.00 0.00 0.00 0.00 61.98 60.65 1bw0 s VAL 93 Cb 0.12 -2.81 -0.22 0.00 0.00 0.00 0.00 36.38 33.47 1bw0 s VAL 93 CO 0.17 -0.26 0.10 1.41 0.00 0.00 0.00 175.10 176.51 1bw0 n HIS 94 N 4.58 0.39 -2.07 5.22 8.25 -1.26 -4.70 115.22 125.63 1bw0 n HIS 94 Ca -0.10 0.10 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 1bw0 n HIS 94 Cb 0.43 -1.06 -0.03 0.00 1.12 0.00 0.00 29.99 30.45 1bw0 n HIS 94 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1bw0 s LYS 95 N -2.53 3.35 0.43 -0.41 1.02 -1.26 -4.88 119.74 115.45 1bw0 s LYS 95 Ca -0.21 1.29 0.22 0.00 0.02 0.00 0.00 55.97 57.29 1bw0 s LYS 95 Cb 0.08 -4.17 1.20 0.00 -0.52 0.00 0.00 37.83 34.41 1bw0 s LYS 95 CO 0.73 -1.85 1.78 1.49 -0.92 0.00 0.00 175.35 176.58 1bw0 h GLU 96 N 12.55 0.30 0.00 1.68 4.57 -2.01 0.02 114.58 131.68 1bw0 h GLU 96 Ca -0.32 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1bw0 h GLU 96 Cb 1.16 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1bw0 h GLU 96 CO 1.05 0.20 -0.10 1.05 -1.18 0.00 0.00 179.01 180.03 1bw0 h GLU 97 N 0.31 0.00 0.00 1.92 -0.00 -2.00 -3.01 114.58 111.80 1bw0 h GLU 97 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.95 1bw0 h GLU 97 Cb 1.65 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.40 1bw0 h GLU 97 CO -0.24 0.10 -1.00 1.28 -0.00 0.00 0.00 179.01 179.15 1bw0 n LEU 98 N -3.39 0.64 -0.14 3.06 4.77 -0.01 -4.31 117.00 117.62 1bw0 n LEU 98 Ca -0.01 0.10 0.17 0.00 -0.03 0.00 0.00 56.01 56.24 1bw0 n LEU 98 Cb 0.27 -0.10 0.54 0.00 -2.33 0.00 0.00 43.42 41.80 1bw0 n LEU 98 CO 0.29 -0.03 1.21 0.11 -1.33 0.00 0.00 177.39 177.64 1bw0 h LYS 99 N 0.00 0.33 0.00 3.23 1.57 -1.52 -0.07 116.57 120.11 1bw0 h LYS 99 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1bw0 h LYS 99 Cb 0.80 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1bw0 h LYS 99 CO 0.00 0.22 0.00 -1.13 -0.57 0.00 0.00 179.45 177.97 1bw0 n SER 100 N -4.46 0.00 -0.16 0.86 3.41 -1.26 -2.76 113.62 109.25 1bw0 n SER 100 Ca 0.14 0.18 0.14 0.00 -0.26 0.00 0.00 58.87 59.07 1bw0 n SER 100 Cb 0.55 -0.37 0.56 0.00 -0.26 0.00 0.00 64.21 64.69 1bw0 n SER 100 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1bw0 n THR 101 N -1.37 0.00 -3.45 6.66 -2.24 -0.04 -4.67 114.28 109.18 1bw0 n THR 101 Ca 0.08 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1bw0 n THR 101 Cb 0.20 0.04 -0.07 0.00 -2.10 0.00 0.00 70.33 68.40 1bw0 n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1bw0 s ILE 102 N -2.44 4.77 0.02 2.28 -1.09 -1.11 -4.79 121.20 118.83 1bw0 s ILE 102 Ca 0.29 -1.45 0.04 0.00 -2.23 0.00 0.00 60.65 57.30 1bw0 s ILE 102 Cb 0.20 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1bw0 s ILE 102 CO 0.47 -0.70 -0.13 0.68 -1.23 0.00 0.00 174.94 174.03 1bw0 s VAL 103 N 1.51 1.04 0.53 2.92 -7.23 -1.26 -4.86 120.40 113.06 1bw0 s VAL 103 Ca 0.04 -0.80 0.38 0.00 -1.81 0.00 0.00 61.98 59.79 1bw0 s VAL 103 Cb -0.26 -0.92 0.59 0.00 0.56 0.00 0.00 36.38 36.34 1bw0 s VAL 103 CO 0.03 0.11 1.73 0.07 -0.31 0.00 0.00 175.10 176.73 1bw0 h LYS 104 N 5.31 0.03 0.00 4.82 2.10 -1.90 -1.12 116.57 125.81 1bw0 h LYS 104 Ca -0.36 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1bw0 h LYS 104 Cb 1.17 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1bw0 h LYS 104 CO 0.46 0.02 0.00 -0.44 -2.00 0.00 0.00 179.45 177.49 1bw0 h ASP 105 N 0.04 0.00 -0.52 7.07 5.19 -1.96 -2.63 116.42 123.60 1bw0 h ASP 105 Ca 0.68 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.09 1bw0 h ASP 105 Cb 2.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.12 1bw0 h ASP 105 CO -0.06 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.65 1bw0 n ASN 106 N -2.52 5.38 -4.35 6.45 3.02 -0.42 -4.91 115.26 117.90 1bw0 n ASN 106 Ca 0.02 -2.94 -0.34 0.00 -0.03 0.00 0.00 54.58 51.29 1bw0 n ASN 106 Cb 0.27 -0.66 -0.14 0.00 -0.61 0.00 0.00 39.78 38.65 1bw0 n ASN 106 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bw0 s VAL 107 N -2.75 3.36 -0.17 2.41 1.01 -0.99 -1.35 120.40 121.92 1bw0 s VAL 107 Ca 0.52 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1bw0 s VAL 107 Cb 0.40 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1bw0 s VAL 107 CO 0.15 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.85 1bw0 s VAL 108 N 1.01 2.37 0.75 2.92 1.01 0.10 -4.90 120.40 123.66 1bw0 s VAL 108 Ca -0.00 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1bw0 s VAL 108 Cb -0.15 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1bw0 s VAL 108 CO -0.00 0.52 1.09 -0.76 0.00 0.00 0.00 175.10 175.95 1bw0 s LEU 109 N 1.13 2.78 0.22 3.92 1.43 0.68 0.26 118.68 129.11 1bw0 s LEU 109 Ca 0.01 1.26 -0.21 0.00 -1.03 0.00 0.00 54.13 54.16 1bw0 s LEU 109 Cb -0.14 -3.98 0.04 0.00 0.03 0.00 0.00 46.19 42.14 1bw0 s LEU 109 CO -0.07 -1.64 0.64 0.00 0.23 0.00 0.00 176.35 175.51 1bw0 n SER 111 N -0.41 4.66 -0.07 0.00 2.88 -1.26 -1.89 113.62 117.53 1bw0 n SER 111 Ca -0.09 -3.01 0.01 0.00 -1.33 0.00 0.00 58.87 54.45 1bw0 n SER 111 Cb 0.62 -1.55 -0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1bw0 n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bw0 n GLY 112 N 3.37 -1.61 0.15 0.46 0.00 -1.13 -3.95 105.19 102.48 1bw0 n GLY 112 Ca 0.44 -1.50 -0.07 0.00 0.00 0.00 0.00 46.02 44.89 1bw0 n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1bw0 h GLY 113 N -0.06 0.43 0.41 -0.02 0.00 -1.89 -2.79 103.07 99.14 1bw0 h GLY 113 Ca -0.00 -0.07 0.14 0.00 0.00 0.00 0.00 47.33 47.40 1bw0 h GLY 113 CO 0.00 0.04 0.61 1.76 0.00 0.00 0.00 176.54 178.95 1bw0 h SER 114 N 0.27 0.82 -0.35 0.19 0.02 -2.00 -0.83 113.55 111.68 1bw0 h SER 114 Ca 0.15 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1bw0 h SER 114 Cb 0.12 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1bw0 h SER 114 CO -0.15 0.40 -0.29 -0.74 -1.14 0.00 0.00 176.83 174.91 1bw0 h HIS 115 N 0.86 0.96 -0.58 3.45 6.17 -1.64 -1.99 115.15 122.39 1bw0 h HIS 115 Ca 0.50 -0.28 0.02 0.00 0.71 0.00 0.00 60.37 61.32 1bw0 h HIS 115 Cb 0.65 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.34 1bw0 h HIS 115 CO -0.00 1.06 0.37 0.78 0.71 0.00 0.00 177.93 180.84 1bw0 h GLY 116 N 0.60 0.82 0.94 5.26 0.00 -1.12 0.15 103.07 109.71 1bw0 h GLY 116 Ca 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1bw0 h GLY 116 CO 0.08 0.26 -0.01 -2.22 0.00 0.00 0.00 176.54 174.64 1bw0 h ILE 117 N 0.73 1.02 -0.44 2.60 2.04 -1.14 0.50 117.51 122.83 1bw0 h ILE 117 Ca 0.22 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 66.01 1bw0 h ILE 117 Cb -0.03 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1bw0 h ILE 117 CO -0.08 0.04 0.09 0.25 0.00 0.00 0.00 178.15 178.45 1bw0 h LEU 118 N -0.10 0.02 -0.22 1.44 5.85 -0.97 -1.20 115.31 120.13 1bw0 h LEU 118 Ca -0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1bw0 h LEU 118 Cb 0.09 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1bw0 h LEU 118 CO 0.01 0.04 0.09 0.24 -0.34 0.00 0.00 178.44 178.48 1bw0 h MET 119 N 0.23 0.32 -0.50 1.25 2.86 -0.55 -2.16 114.93 116.37 1bw0 h MET 119 Ca 0.21 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1bw0 h MET 119 Cb 0.26 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1bw0 h MET 119 CO -0.27 0.37 0.26 0.00 1.06 0.00 0.00 176.91 178.32 1bw0 h ALA 120 N 0.94 0.65 -0.10 6.32 0.00 -0.44 -0.60 119.26 126.03 1bw0 h ALA 120 Ca 0.07 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1bw0 h ALA 120 Cb 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1bw0 h ALA 120 CO -0.01 0.19 -0.23 0.82 0.00 0.00 0.00 179.25 180.02 1bw0 h ILE 121 N 0.67 1.39 0.00 0.00 2.04 -1.25 -3.27 117.51 117.10 1bw0 h ILE 121 Ca 0.18 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1bw0 h ILE 121 Cb 0.08 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1bw0 h ILE 121 CO -0.03 0.44 0.00 0.35 0.00 0.00 0.00 178.15 178.92 1bw0 n THR 122 N -4.49 0.13 0.12 -0.27 -2.24 -0.82 -1.02 114.28 105.69 1bw0 n THR 122 Ca -0.07 0.03 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1bw0 n THR 122 Cb 0.44 -0.57 0.10 0.00 -2.10 0.00 0.00 70.33 68.20 1bw0 n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw0 h ALA 123 N 3.02 0.82 0.00 6.98 0.00 -1.15 -3.39 119.26 125.55 1bw0 h ALA 123 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 1bw0 h ALA 123 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bw0 h ALA 123 CO 0.00 0.88 -1.02 1.51 0.00 0.00 0.00 179.25 180.61 1bw0 n ILE 124 N -3.71 0.01 -4.11 0.00 3.06 -1.13 -4.75 119.36 108.73 1bw0 n ILE 124 Ca -0.01 -0.01 -0.35 0.00 -2.50 0.00 0.00 62.75 59.88 1bw0 n ILE 124 Cb 0.69 0.20 -0.09 0.00 0.54 0.00 0.00 39.64 40.98 1bw0 n ILE 124 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bw0 s ASP 126 N -0.14 5.41 0.26 0.00 1.01 -1.26 -4.67 116.67 117.29 1bw0 s ASP 126 Ca 0.07 -0.31 -0.29 0.00 0.71 0.00 0.00 52.55 52.73 1bw0 s ASP 126 Cb -0.12 -1.32 -0.14 0.00 1.01 0.00 0.00 42.92 42.34 1bw0 s ASP 126 CO 0.01 -0.05 1.11 0.00 0.21 0.00 0.00 175.17 176.45 1bw0 n ALA 127 N -1.16 -0.09 0.00 5.23 0.00 -1.26 -0.48 120.51 122.74 1bw0 n ALA 127 Ca -0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1bw0 n ALA 127 Cb 0.58 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1bw0 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw0 n GLY 128 N 1.46 3.37 3.88 0.00 0.00 -0.72 -4.99 105.19 108.19 1bw0 n GLY 128 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1bw0 n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bw0 s ASP 129 N -0.97 5.63 0.02 1.61 1.01 0.36 -4.73 116.67 119.61 1bw0 s ASP 129 Ca 0.00 1.15 0.07 0.00 0.71 0.00 0.00 52.55 54.48 1bw0 s ASP 129 Cb 0.00 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 1bw0 s ASP 129 CO 0.00 -1.21 -0.21 -0.31 0.21 0.00 0.00 175.17 173.64 1bw0 s TYR 130 N -3.28 1.90 0.04 4.23 1.51 0.72 0.37 117.35 122.83 1bw0 s TYR 130 Ca 0.57 -0.37 0.09 0.00 -1.01 0.00 0.00 57.07 56.34 1bw0 s TYR 130 Cb -0.11 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.54 1bw0 s TYR 130 CO 0.52 0.05 -0.25 0.00 -1.11 0.00 0.00 175.55 174.76 1bw0 s ALA 131 N -0.68 2.32 -0.42 3.71 0.00 -0.60 -1.37 121.76 124.73 1bw0 s ALA 131 Ca 0.08 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.58 1bw0 s ALA 131 Cb -0.09 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1bw0 s ALA 131 CO 0.01 0.54 0.73 -0.51 0.00 0.00 0.00 175.76 176.53 1bw0 s LEU 132 N -1.20 4.28 -0.04 0.00 1.43 0.00 -1.59 118.68 121.55 1bw0 s LEU 132 Ca 0.12 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.24 1bw0 s LEU 132 Cb -0.10 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.19 1bw0 s LEU 132 CO 0.02 -0.81 -0.18 -0.69 0.23 0.00 0.00 176.35 174.93 1bw0 s VAL 133 N 3.08 2.74 0.54 -1.59 1.01 -0.50 -1.20 120.40 124.48 1bw0 s VAL 133 Ca 0.28 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1bw0 s VAL 133 Cb -0.13 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 1bw0 s VAL 133 CO 0.20 0.59 1.00 -2.16 0.00 0.00 0.00 175.10 174.72 1bw0 s PRO 134 N -0.66 3.84 -0.10 2.72 0.04 -1.26 -1.67 135.00 137.91 1bw0 s PRO 134 Ca 0.10 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 1bw0 s PRO 134 Cb -0.11 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1bw0 s PRO 134 CO 0.00 -0.37 0.22 1.14 0.04 0.00 0.00 177.00 178.03 1bw0 s GLN 135 N -4.22 0.13 0.45 4.56 -2.07 -0.81 -2.89 119.66 114.81 1bw0 s GLN 135 Ca 0.59 0.58 -0.24 0.00 -1.82 0.00 0.00 55.36 54.47 1bw0 s GLN 135 Cb -0.11 -0.13 -0.07 0.00 -1.09 0.00 0.00 33.01 31.61 1bw0 s GLN 135 CO 0.35 -0.23 1.23 -2.14 -1.32 0.00 0.00 175.29 173.18 1bw0 s PRO 136 N 1.80 3.75 0.04 9.60 0.02 -1.26 -0.99 135.00 147.96 1bw0 s PRO 136 Ca -0.04 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 62.90 1bw0 s PRO 136 Cb -0.11 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 1bw0 s PRO 136 CO -0.08 -0.61 0.03 0.20 -0.33 0.00 0.00 177.00 176.22 1bw0 s GLY 137 N -1.11 0.27 0.18 0.52 0.00 -1.04 -4.71 107.32 101.42 1bw0 s GLY 137 Ca 0.62 -0.74 -0.32 0.00 0.00 0.00 0.00 44.72 44.29 1bw0 s GLY 137 CO 0.41 -0.85 1.77 -0.12 0.00 0.00 0.00 173.10 174.31 1bw0 s PHE 138 N -2.68 2.61 0.55 1.90 5.36 -1.12 -4.70 117.98 119.90 1bw0 s PHE 138 Ca -0.04 0.19 0.40 0.00 -0.96 0.00 0.00 56.93 56.51 1bw0 s PHE 138 Cb -0.01 -4.16 2.11 0.00 -0.34 0.00 0.00 43.02 40.62 1bw0 s PHE 138 CO -0.05 -4.57 2.27 -1.35 -1.46 0.00 0.00 175.22 170.07 1bw0 h PRO 139 N 7.49 0.00 0.00 10.12 0.11 -1.90 -3.21 132.00 144.61 1bw0 h PRO 139 Ca -0.44 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1bw0 h PRO 139 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1bw0 h PRO 139 CO 0.96 0.01 -0.24 1.25 -0.21 0.00 0.00 178.00 179.76 1bw0 h HIS 140 N 0.00 0.00 -0.11 0.65 2.76 -1.96 -2.47 115.15 114.03 1bw0 h HIS 140 Ca -0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1bw0 h HIS 140 Cb 0.11 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1bw0 h HIS 140 CO 0.00 0.24 0.02 1.88 -1.30 0.00 0.00 177.93 178.77 1bw0 h TYR 141 N 0.00 0.03 -0.72 5.26 0.05 -1.95 -1.78 116.97 117.86 1bw0 h TYR 141 Ca -0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1bw0 h TYR 141 Cb 0.55 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 1bw0 h TYR 141 CO 0.00 0.01 0.27 1.49 -1.05 0.00 0.00 178.16 178.89 1bw0 h GLU 142 N 0.07 1.07 -0.57 4.88 4.81 -1.72 -1.42 114.58 121.70 1bw0 h GLU 142 Ca 0.05 -0.19 0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1bw0 h GLU 142 Cb 0.04 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 1bw0 h GLU 142 CO -0.06 0.88 0.29 1.15 -0.73 0.00 0.00 179.01 180.53 1bw0 h THR 143 N 1.04 0.94 -0.02 0.32 2.02 -1.09 -0.35 112.91 115.76 1bw0 h THR 143 Ca 0.24 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1bw0 h THR 143 Cb 0.22 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1bw0 h THR 143 CO -0.02 0.10 -0.02 0.58 0.37 0.00 0.00 175.52 176.53 1bw0 h VAL 144 N 0.54 1.37 -0.46 3.16 2.07 -0.93 -2.98 116.25 119.02 1bw0 h VAL 144 Ca 0.26 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1bw0 h VAL 144 Cb 0.18 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1bw0 h VAL 144 CO -0.18 0.30 0.26 0.00 0.02 0.00 0.00 177.57 177.96 1bw0 h LYS 146 N 0.51 0.53 0.00 0.00 1.63 -1.14 0.64 116.57 118.74 1bw0 h LYS 146 Ca 0.19 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1bw0 h LYS 146 Cb 0.06 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1bw0 h LYS 146 CO -0.11 0.35 0.00 0.00 -3.45 0.00 0.00 179.45 176.24 1bw0 h ALA 147 N 1.15 1.00 -0.32 5.00 0.00 -1.35 -2.80 119.26 121.93 1bw0 h ALA 147 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bw0 h ALA 147 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bw0 h ALA 147 CO -0.03 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.88 1bw0 n TYR 148 N -2.96 0.63 -3.16 0.00 4.02 -0.75 -4.75 117.16 110.19 1bw0 n TYR 148 Ca 0.01 -0.62 -0.23 0.00 -0.01 0.00 0.00 57.90 57.05 1bw0 n TYR 148 Cb 0.32 -0.12 0.04 0.00 -0.02 0.00 0.00 39.34 39.56 1bw0 n TYR 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bw0 n GLY 149 N 0.21 -0.53 3.81 2.72 0.00 -0.49 -4.06 105.19 106.85 1bw0 n GLY 149 Ca 0.15 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 1bw0 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bw0 s ILE 150 N -3.20 5.25 0.69 -0.61 1.01 0.21 -1.76 121.20 122.80 1bw0 s ILE 150 Ca 0.37 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.48 1bw0 s ILE 150 Cb -0.16 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1bw0 s ILE 150 CO 0.45 0.52 1.06 -0.83 0.00 0.00 0.00 174.94 176.15 1bw0 s GLY 151 N -0.50 1.74 -0.05 6.18 0.00 0.16 -4.33 107.32 110.51 1bw0 s GLY 151 Ca 0.19 0.15 0.01 0.00 0.00 0.00 0.00 44.72 45.07 1bw0 s GLY 151 CO 0.08 0.46 -0.04 1.06 0.00 0.00 0.00 173.10 174.66 1bw0 s MET 152 N -4.89 0.82 -0.30 2.90 -1.94 -1.26 -1.55 119.30 113.07 1bw0 s MET 152 Ca 0.59 -0.09 -0.08 0.00 -1.71 0.00 0.00 55.69 54.40 1bw0 s MET 152 Cb -0.15 -0.86 0.00 0.00 2.01 0.00 0.00 34.83 35.84 1bw0 s MET 152 CO 0.52 -0.10 0.11 -1.01 -0.01 0.00 0.00 175.02 174.53 1bw0 s HIS 153 N 1.02 3.16 -0.19 -0.03 3.76 -0.62 -4.97 115.29 117.42 1bw0 s HIS 153 Ca -0.09 -0.82 -0.21 0.00 -0.15 0.00 0.00 55.06 53.79 1bw0 s HIS 153 Cb -0.14 -2.30 -0.02 0.00 1.11 0.00 0.00 32.58 31.23 1bw0 s HIS 153 CO -0.01 -0.53 0.65 -0.06 -0.85 0.00 0.00 174.74 173.94 1bw0 s PHE 154 N 1.55 3.39 0.05 1.40 0.08 -1.26 -1.41 117.98 121.77 1bw0 s PHE 154 Ca 0.03 0.96 0.02 0.00 0.12 0.00 0.00 56.93 58.07 1bw0 s PHE 154 Cb -0.17 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.43 1bw0 s PHE 154 CO 0.04 -0.17 0.06 1.52 -0.10 0.00 0.00 175.22 176.57 1bw0 s TYR 155 N 1.88 3.18 0.40 0.36 -0.85 -0.67 -4.98 117.35 116.68 1bw0 s TYR 155 Ca 0.30 0.11 -0.09 0.00 -0.52 0.00 0.00 57.07 56.86 1bw0 s TYR 155 Cb -0.16 -1.65 -0.06 0.00 0.38 0.00 0.00 41.96 40.47 1bw0 s TYR 155 CO 0.11 0.52 0.74 -0.80 -1.52 0.00 0.00 175.55 174.60 1bw0 s ASN 156 N -2.08 6.48 -0.26 -0.18 0.01 -1.26 -1.93 114.94 115.72 1bw0 s ASN 156 Ca 0.26 1.06 0.02 0.00 -0.71 0.00 0.00 52.86 53.49 1bw0 s ASN 156 Cb -0.12 -2.29 0.06 0.00 0.41 0.00 0.00 41.25 39.31 1bw0 s ASN 156 CO 0.18 -0.39 -0.07 0.00 -1.51 0.00 0.00 177.10 175.30 1bw0 s ARG 158 N 1.20 4.37 0.54 0.00 0.52 -0.65 -4.49 118.95 120.45 1bw0 s ARG 158 Ca -0.06 0.70 0.31 0.00 -0.52 0.00 0.00 55.73 56.16 1bw0 s ARG 158 Cb -0.19 -3.42 1.52 0.00 0.52 0.00 0.00 34.95 33.38 1bw0 s ARG 158 CO -0.06 0.18 2.07 -1.00 0.02 0.00 0.00 175.30 176.51 1bw0 h PRO 159 N 6.45 0.00 -0.04 3.54 0.13 -1.92 -0.37 132.00 139.79 1bw0 h PRO 159 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 1bw0 h PRO 159 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1bw0 h PRO 159 CO 0.74 0.09 -0.33 0.93 -0.23 0.00 0.00 178.00 179.20 1bw0 h GLU 160 N 0.00 0.07 -0.81 0.86 3.07 -1.97 -2.97 114.58 112.82 1bw0 h GLU 160 Ca -0.00 -0.03 -0.45 0.00 -0.50 0.00 0.00 59.36 58.38 1bw0 h GLU 160 Cb 0.36 -0.01 -0.26 0.00 -0.84 0.00 0.00 28.75 28.01 1bw0 h GLU 160 CO 0.01 0.40 0.42 0.09 -1.40 0.00 0.00 179.01 178.53 1bw0 n ASN 161 N -4.13 4.04 -2.71 1.42 3.02 -0.94 -4.92 115.26 111.04 1bw0 n ASN 161 Ca -0.02 -3.70 -0.20 0.00 -0.03 0.00 0.00 54.58 50.64 1bw0 n ASN 161 Cb 0.38 -0.79 0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1bw0 n ASN 161 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1bw0 n ASP 162 N -1.09 -5.65 -0.78 6.41 2.03 -1.12 -2.52 116.55 113.82 1bw0 n ASP 162 Ca 0.53 -0.26 -0.10 0.00 0.52 0.00 0.00 54.79 55.48 1bw0 n ASP 162 Cb 1.32 -4.48 -0.04 0.00 -0.72 0.00 0.00 41.12 37.20 1bw0 n ASP 162 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1bw0 n TRP 163 N -4.39 -0.02 -1.52 -0.67 7.02 -0.19 -4.79 117.44 112.87 1bw0 n TRP 163 Ca -0.10 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.06 1bw0 n TRP 163 Cb 0.61 -1.94 0.07 0.00 -2.42 0.00 0.00 31.31 27.62 1bw0 n TRP 163 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1bw0 s GLU 164 N -2.93 2.52 0.37 -0.99 2.02 -1.05 -4.40 118.70 114.25 1bw0 s GLU 164 Ca 0.00 1.31 -0.23 0.00 0.02 0.00 0.00 54.97 56.06 1bw0 s GLU 164 Cb 0.00 -1.92 -0.10 0.00 0.10 0.00 0.00 34.13 32.21 1bw0 s GLU 164 CO 0.00 -1.45 0.94 0.00 0.02 0.00 0.00 175.26 174.76 1bw0 s ALA 165 N -2.58 3.13 -0.99 5.21 0.00 -1.26 -1.63 121.76 123.64 1bw0 s ALA 165 Ca 0.65 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.82 1bw0 s ALA 165 Cb -0.19 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1bw0 s ALA 165 CO 0.48 0.16 1.47 0.34 0.00 0.00 0.00 175.76 178.21 1bw0 s ASP 166 N -1.90 6.38 0.35 0.00 -1.08 -0.09 -4.84 116.67 115.49 1bw0 s ASP 166 Ca 0.56 -1.32 0.07 0.00 -0.52 0.00 0.00 52.55 51.33 1bw0 s ASP 166 Cb -0.14 -2.57 0.75 0.00 -1.46 0.00 0.00 42.92 39.50 1bw0 s ASP 166 CO 0.18 -1.62 1.92 -0.07 0.52 0.00 0.00 175.17 176.10 1bw0 h LEU 167 N 13.17 0.68 -1.06 -1.34 3.38 -1.93 -0.62 115.31 127.59 1bw0 h LEU 167 Ca 0.16 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1bw0 h LEU 167 Cb 1.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1bw0 h LEU 167 CO 1.40 0.41 -0.36 0.44 0.09 0.00 0.00 178.44 180.42 1bw0 h ASP 168 N 0.76 0.21 -0.36 -0.43 3.32 -1.99 -1.62 116.42 116.30 1bw0 h ASP 168 Ca 0.37 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 1bw0 h ASP 168 Cb 0.44 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1bw0 h ASP 168 CO -0.15 0.56 -0.29 -0.08 -1.72 0.00 0.00 179.24 177.57 1bw0 h GLU 169 N 0.18 0.88 0.23 3.56 4.81 -1.53 -1.45 114.58 121.26 1bw0 h GLU 169 Ca 0.02 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1bw0 h GLU 169 Cb 0.72 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1bw0 h GLU 169 CO 0.05 1.05 -0.11 0.82 -0.73 0.00 0.00 179.01 180.10 1bw0 h ILE 170 N 0.75 0.79 -0.44 2.32 2.04 -1.18 -2.17 117.51 119.62 1bw0 h ILE 170 Ca 0.08 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1bw0 h ILE 170 Cb 0.85 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 1bw0 h ILE 170 CO 0.07 0.01 0.02 -0.09 0.00 0.00 0.00 178.15 178.17 1bw0 h ARG 171 N -0.34 0.14 -0.07 2.37 2.43 -1.13 -2.23 114.38 115.55 1bw0 h ARG 171 Ca -0.03 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1bw0 h ARG 171 Cb 0.26 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1bw0 h ARG 171 CO 0.05 0.09 -0.56 0.07 -1.51 0.00 0.00 179.97 178.11 1bw0 h ARG 172 N 0.14 0.20 0.00 0.20 0.11 -1.20 -3.21 114.38 110.63 1bw0 h ARG 172 Ca 0.22 -0.13 -0.10 0.00 0.10 0.00 0.00 59.98 60.07 1bw0 h ARG 172 Cb 0.31 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.39 1bw0 h ARG 172 CO -0.35 0.71 -0.48 -0.07 0.10 0.00 0.00 179.97 179.88 1bw0 h LEU 173 N 0.16 0.00 -9.84 0.08 3.38 -0.97 -3.46 115.31 104.66 1bw0 h LEU 173 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1bw0 h LEU 173 Cb 1.04 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.88 1bw0 h LEU 173 CO 0.08 0.48 0.80 1.17 0.09 0.00 0.00 178.44 181.06 1bw0 n LYS 174 N -3.63 2.62 -1.25 1.13 0.00 -0.88 -5.00 118.16 111.15 1bw0 n LYS 174 Ca -0.01 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.23 1bw0 n LYS 174 Cb 0.56 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.92 1bw0 n LYS 174 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1bw0 n ASP 175 N 1.36 0.00 0.08 3.14 5.68 -1.26 -5.04 116.55 120.52 1bw0 n ASP 175 Ca 0.05 -0.63 0.12 0.00 -0.50 0.00 0.00 54.79 53.83 1bw0 n ASP 175 Cb 0.37 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.81 1bw0 n ASP 175 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1bw0 n ASP 176 N -1.88 0.54 -0.00 -1.12 8.00 -1.26 -2.87 116.55 117.96 1bw0 n ASP 176 Ca 0.00 0.58 0.10 0.00 0.71 0.00 0.00 54.79 56.18 1bw0 n ASP 176 Cb 0.00 -0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 40.28 1bw0 n ASP 176 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bw0 n LYS 177 N -2.04 0.02 -2.54 -1.24 4.76 -1.26 -4.92 118.16 110.95 1bw0 n LYS 177 Ca 0.05 -0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 55.05 1bw0 n LYS 177 Cb 0.33 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.00 1bw0 n LYS 177 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1bw0 s THR 178 N -3.02 4.25 -1.06 -0.18 2.01 -1.14 -0.20 115.64 116.31 1bw0 s THR 178 Ca 0.08 1.38 0.10 0.00 0.31 0.00 0.00 61.69 63.55 1bw0 s THR 178 Cb 0.16 -4.38 0.04 0.00 0.01 0.00 0.00 72.50 68.33 1bw0 s THR 178 CO 0.87 -0.67 0.72 0.29 -0.69 0.00 0.00 174.62 175.14 1bw0 n LYS 179 N 7.41 1.19 -3.72 4.92 4.76 -0.47 -4.85 118.16 127.41 1bw0 n LYS 179 Ca 0.13 -0.85 -0.14 0.00 -2.87 0.00 0.00 58.31 54.58 1bw0 n LYS 179 Cb 0.48 -1.13 -0.09 0.00 -1.84 0.00 0.00 35.03 32.45 1bw0 n LYS 179 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bw0 s LEU 180 N -1.17 0.40 -0.19 -0.35 2.96 -1.23 -4.41 118.68 114.68 1bw0 s LEU 180 Ca 0.10 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1bw0 s LEU 180 Cb 0.08 1.53 0.03 0.00 0.50 0.00 0.00 46.19 48.33 1bw0 s LEU 180 CO 0.18 -0.29 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.54 1bw0 s LEU 181 N -0.41 2.28 -0.23 -0.68 2.96 -1.12 -0.82 118.68 120.65 1bw0 s LEU 181 Ca -0.05 -0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 1bw0 s LEU 181 Cb -0.03 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.23 1bw0 s LEU 181 CO 0.03 -0.07 0.13 -0.63 -1.32 0.00 0.00 176.35 174.49 1bw0 s ILE 182 N 1.32 5.06 0.12 6.68 1.01 -0.34 -1.16 121.20 133.89 1bw0 s ILE 182 Ca 0.02 0.08 0.10 0.00 0.00 0.00 0.00 60.65 60.84 1bw0 s ILE 182 Cb -0.15 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1bw0 s ILE 182 CO -0.10 0.36 -0.24 0.68 0.00 0.00 0.00 174.94 175.64 1bw0 s VAL 183 N 1.08 1.97 -0.14 2.92 -7.23 -0.42 -4.30 120.40 114.27 1bw0 s VAL 183 Ca 0.06 -1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1bw0 s VAL 183 Cb -0.14 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.06 1bw0 s VAL 183 CO 0.04 -0.00 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.87 1bw0 s THR 184 N -1.15 1.13 -0.28 5.32 2.01 -1.26 -0.64 115.64 120.76 1bw0 s THR 184 Ca 0.10 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 1bw0 s THR 184 Cb -0.10 -1.20 0.11 0.00 0.01 0.00 0.00 72.50 71.32 1bw0 s THR 184 CO 0.05 0.28 0.81 0.21 -0.69 0.00 0.00 174.62 175.28 1bw0 s ASN 185 N 1.65 -0.76 1.17 3.53 2.47 -0.91 -4.12 114.94 117.96 1bw0 s ASN 185 Ca 0.03 1.23 -0.13 0.00 0.42 0.00 0.00 52.86 54.42 1bw0 s ASN 185 Cb -0.14 1.31 0.29 0.00 -1.45 0.00 0.00 41.25 41.26 1bw0 s ASN 185 CO -0.08 -0.20 1.03 -2.84 -3.72 0.00 0.00 177.10 171.29 1bw0 s PRO 186 N 1.46 -0.98 0.01 0.43 0.02 -1.26 -4.17 135.00 130.51 1bw0 s PRO 186 Ca -0.09 0.85 0.02 0.00 0.02 0.00 0.00 61.00 61.80 1bw0 s PRO 186 Cb -0.04 -1.55 -0.04 0.00 0.02 0.00 0.00 34.50 32.89 1bw0 s PRO 186 CO -0.17 -3.77 -0.00 0.45 -0.33 0.00 0.00 177.00 173.18 1bw0 s SER 187 N -2.50 5.09 -0.20 2.53 0.15 -0.74 -4.72 113.70 113.31 1bw0 s SER 187 Ca 0.69 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 57.30 1bw0 s SER 187 Cb -0.25 -1.31 0.04 0.00 -1.71 0.00 0.00 66.02 62.79 1bw0 s SER 187 CO 0.65 0.26 -0.12 0.21 1.20 0.00 0.00 173.24 175.44 1bw0 s ASN 188 N -1.68 3.43 0.00 5.45 3.84 -1.26 -0.34 114.94 124.38 1bw0 s ASN 188 Ca 0.21 -0.89 0.22 0.00 0.21 0.00 0.00 52.86 52.60 1bw0 s ASN 188 Cb -0.12 -1.29 0.23 0.00 -0.55 0.00 0.00 41.25 39.53 1bw0 s ASN 188 CO 0.12 -0.13 1.24 -0.81 -2.79 0.00 0.00 177.10 174.72 1bw0 n PRO 189 N 4.66 2.15 0.01 0.43 -0.04 -1.26 -2.77 135.00 138.18 1bw0 n PRO 189 Ca -0.15 -1.91 0.02 0.00 -0.04 0.00 0.00 63.50 61.41 1bw0 n PRO 189 Cb 0.47 -1.44 0.37 0.00 -0.04 0.00 0.00 33.50 32.86 1bw0 n PRO 189 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw0 n GLY 191 N -1.17 0.46 3.90 0.00 0.00 0.54 -4.22 105.19 104.70 1bw0 n GLY 191 Ca 0.02 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 1bw0 n GLY 191 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bw0 s SER 192 N -2.36 5.55 -0.23 1.61 1.04 -1.26 -0.55 113.70 117.50 1bw0 s SER 192 Ca 0.00 0.95 -0.04 0.00 0.48 0.00 0.00 55.95 57.35 1bw0 s SER 192 Cb 0.00 -1.86 0.09 0.00 0.10 0.00 0.00 66.02 64.35 1bw0 s SER 192 CO 0.00 -1.19 0.15 0.21 0.98 0.00 0.00 173.24 173.40 1bw0 s ASN 193 N -4.32 2.52 0.44 7.02 2.47 -1.26 -1.80 114.94 120.00 1bw0 s ASN 193 Ca 0.56 -0.81 -0.26 0.00 0.42 0.00 0.00 52.86 52.78 1bw0 s ASN 193 Cb -0.11 -0.07 -0.09 0.00 -1.45 0.00 0.00 41.25 39.53 1bw0 s ASN 193 CO 0.49 -0.38 1.43 0.49 -3.72 0.00 0.00 177.10 175.40 1bw0 n PHE 194 N 5.28 2.70 -2.32 0.43 3.72 -1.26 -5.00 117.46 121.01 1bw0 n PHE 194 Ca -0.06 0.44 -0.31 0.00 -0.05 0.00 0.00 57.45 57.48 1bw0 n PHE 194 Cb 0.46 -2.46 -0.01 0.00 -0.94 0.00 0.00 39.48 36.52 1bw0 n PHE 194 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1bw0 s SER 195 N -0.43 6.43 0.25 4.37 1.04 -1.26 -4.53 113.70 119.57 1bw0 s SER 195 Ca 0.60 1.36 -0.03 0.00 0.48 0.00 0.00 55.95 58.36 1bw0 s SER 195 Cb -0.46 -2.43 0.49 0.00 0.10 0.00 0.00 66.02 63.72 1bw0 s SER 195 CO 0.58 -0.65 1.73 -0.09 0.98 0.00 0.00 173.24 175.79 1bw0 h ARG 196 N 0.46 0.44 -0.19 4.02 2.43 -1.94 -1.73 114.38 117.86 1bw0 h ARG 196 Ca -0.46 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.71 1bw0 h ARG 196 Cb 1.19 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1bw0 h ARG 196 CO 0.62 0.29 0.02 -0.22 -1.51 0.00 0.00 179.97 179.17 1bw0 h LYS 197 N 0.45 0.09 -0.59 0.20 3.64 -1.99 -0.43 116.57 117.94 1bw0 h LYS 197 Ca 0.43 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.76 1bw0 h LYS 197 Cb 0.67 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1bw0 h LYS 197 CO -0.42 0.06 0.18 1.25 -2.27 0.00 0.00 179.45 178.25 1bw0 h HIS 198 N 0.10 0.91 -0.14 1.91 2.76 -1.72 -0.67 115.15 118.29 1bw0 h HIS 198 Ca 0.09 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.15 1bw0 h HIS 198 Cb 0.09 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 1bw0 h HIS 198 CO -0.15 0.74 -0.04 0.28 -1.30 0.00 0.00 177.93 177.45 1bw0 h VAL 199 N 0.86 1.29 -0.90 5.26 2.07 -1.13 -1.88 116.25 121.82 1bw0 h VAL 199 Ca 0.19 -1.00 0.09 0.00 0.82 0.00 0.00 66.70 66.81 1bw0 h VAL 199 Cb 0.26 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1bw0 h VAL 199 CO -0.01 0.29 0.54 -0.08 0.02 0.00 0.00 177.57 178.34 1bw0 h GLU 200 N -0.04 0.89 -0.34 1.57 4.81 -0.80 0.09 114.58 120.76 1bw0 h GLU 200 Ca 0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1bw0 h GLU 200 Cb 0.47 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1bw0 h GLU 200 CO 0.01 0.59 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.40 1bw0 h ASP 201 N 0.91 0.52 -0.14 1.04 3.32 -1.00 0.94 116.42 122.01 1bw0 h ASP 201 Ca 0.43 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1bw0 h ASP 201 Cb 0.35 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1bw0 h ASP 201 CO -0.23 0.61 -0.03 0.40 -1.72 0.00 0.00 179.24 178.27 1bw0 h ILE 202 N 0.52 1.29 -0.40 0.35 2.04 -0.19 -1.50 117.51 119.62 1bw0 h ILE 202 Ca 0.11 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 65.01 1bw0 h ILE 202 Cb 0.39 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 1bw0 h ILE 202 CO 0.02 0.29 0.23 0.58 0.00 0.00 0.00 178.15 179.26 1bw0 h VAL 203 N -0.03 1.03 -0.87 1.67 2.07 -0.88 -1.29 116.25 117.95 1bw0 h VAL 203 Ca 0.04 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1bw0 h VAL 203 Cb 0.46 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1bw0 h VAL 203 CO 0.01 0.08 0.48 0.03 0.02 0.00 0.00 177.57 178.20 1bw0 h ARG 204 N 0.46 1.21 -0.75 1.57 2.47 -0.77 -1.87 114.38 116.70 1bw0 h ARG 204 Ca 0.16 -0.14 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1bw0 h ARG 204 Cb 0.02 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.07 1bw0 h ARG 204 CO -0.08 0.88 0.24 1.25 0.56 0.00 0.00 179.97 182.82 1bw0 h LEU 205 N 1.22 1.09 -0.48 3.04 5.85 -0.73 -1.51 115.31 123.80 1bw0 h LEU 205 Ca 0.31 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1bw0 h LEU 205 Cb 0.02 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1bw0 h LEU 205 CO -0.05 1.01 0.26 0.00 -0.34 0.00 0.00 178.44 179.32 1bw0 h ALA 206 N 1.13 0.61 0.03 1.25 0.00 -0.83 0.70 119.26 122.14 1bw0 h ALA 206 Ca 0.24 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1bw0 h ALA 206 Cb 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1bw0 h ALA 206 CO -0.01 0.14 -0.31 1.49 0.00 0.00 0.00 179.25 180.56 1bw0 h GLU 207 N 0.63 -0.47 -0.68 0.00 4.81 -1.02 0.32 114.58 118.17 1bw0 h GLU 207 Ca 0.17 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1bw0 h GLU 207 Cb 0.06 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1bw0 h GLU 207 CO -0.03 -0.31 0.40 1.49 -0.73 0.00 0.00 179.01 179.83 1bw0 h GLU 208 N -0.48 0.73 0.00 1.92 4.81 -1.04 -2.48 114.58 118.03 1bw0 h GLU 208 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1bw0 h GLU 208 Cb 0.56 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1bw0 h GLU 208 CO -0.24 0.48 0.00 1.28 -0.73 0.00 0.00 179.01 179.80 1bw0 n LEU 209 N -4.74 0.58 -2.87 1.64 4.77 0.22 -4.95 117.00 111.65 1bw0 n LEU 209 Ca 0.08 0.56 -0.16 0.00 -0.03 0.00 0.00 56.01 56.46 1bw0 n LEU 209 Cb 0.14 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1bw0 n LEU 209 CO 0.30 -0.13 0.15 0.54 -1.33 0.00 0.00 177.39 176.92 1bw0 n ARG 210 N -2.04 -5.70 -4.90 3.23 5.12 0.11 -5.02 116.66 107.45 1bw0 n ARG 210 Ca 0.06 0.64 -0.33 0.00 -1.93 0.00 0.00 57.85 56.30 1bw0 n ARG 210 Cb 0.40 -5.09 -0.14 0.00 -1.16 0.00 0.00 32.46 26.46 1bw0 n ARG 210 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1bw0 s LEU 211 N -5.63 2.61 0.71 0.55 1.43 -0.91 -5.05 118.68 112.39 1bw0 s LEU 211 Ca 0.26 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 1bw0 s LEU 211 Cb -0.11 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1bw0 s LEU 211 CO 0.56 0.24 1.12 -2.16 0.23 0.00 0.00 176.35 176.34 1bw0 s PRO 212 N -0.10 2.45 -0.13 1.29 0.04 -1.26 -4.63 135.00 132.67 1bw0 s PRO 212 Ca -0.02 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.43 1bw0 s PRO 212 Cb -0.14 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1bw0 s PRO 212 CO 0.04 -1.52 -0.17 -1.17 0.04 0.00 0.00 177.00 174.21 1bw0 s LEU 213 N -5.28 1.85 -0.36 -3.56 2.96 -0.09 -2.81 118.68 111.39 1bw0 s LEU 213 Ca 0.67 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.97 1bw0 s LEU 213 Cb -0.21 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.27 1bw0 s LEU 213 CO 0.47 0.02 0.18 0.12 -1.32 0.00 0.00 176.35 175.82 1bw0 s PHE 214 N 1.04 3.23 -0.35 5.38 5.36 -0.31 -0.17 117.98 132.17 1bw0 s PHE 214 Ca -0.04 -0.94 -0.07 0.00 -0.96 0.00 0.00 56.93 54.92 1bw0 s PHE 214 Cb -0.15 -2.40 0.04 0.00 -0.34 0.00 0.00 43.02 40.17 1bw0 s PHE 214 CO -0.04 -0.62 0.13 0.45 -1.46 0.00 0.00 175.22 173.67 1bw0 s SER 215 N 1.55 5.38 -0.78 6.13 0.15 -0.26 -1.31 113.70 124.55 1bw0 s SER 215 Ca 0.02 -1.16 -0.26 0.00 0.70 0.00 0.00 55.95 55.25 1bw0 s SER 215 Cb -0.19 -1.89 0.03 0.00 -1.71 0.00 0.00 66.02 62.27 1bw0 s SER 215 CO 0.06 -0.35 1.30 -0.62 1.20 0.00 0.00 173.24 174.83 1bw0 s ASP 216 N 1.47 6.22 -0.41 5.45 -1.08 0.18 -1.53 116.67 126.96 1bw0 s ASP 216 Ca -0.01 -0.64 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 1bw0 s ASP 216 Cb -0.20 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.18 1bw0 s ASP 216 CO 0.03 -1.77 1.55 -0.62 0.52 0.00 0.00 175.17 174.88 1bw0 n GLU 217 N 9.24 2.83 0.20 4.34 1.02 -0.57 -2.15 120.64 135.55 1bw0 n GLU 217 Ca 0.08 -3.61 0.14 0.00 -0.02 0.00 0.00 57.16 53.75 1bw0 n GLU 217 Cb 0.49 -2.16 0.69 0.00 -0.02 0.00 0.00 31.44 30.44 1bw0 n GLU 217 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1bw0 h ILE 218 N 1.48 0.00 -0.55 -3.67 2.10 -1.80 -0.11 117.51 114.95 1bw0 h ILE 218 Ca 0.42 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 66.23 1bw0 h ILE 218 Cb 1.39 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1bw0 h ILE 218 CO 0.94 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 176.79 1bw0 n TYR 219 N -2.51 1.52 -1.58 2.19 4.01 -1.26 -4.54 117.16 115.00 1bw0 n TYR 219 Ca -0.00 -0.68 -0.60 0.00 -0.16 0.00 0.00 57.90 56.45 1bw0 n TYR 219 Cb 0.13 -0.32 -0.08 0.00 -0.31 0.00 0.00 39.34 38.76 1bw0 n TYR 219 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bw0 n ALA 220 N 0.70 -2.70 -0.56 -0.72 0.00 -0.06 -0.37 120.51 116.80 1bw0 n ALA 220 Ca 0.25 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.25 1bw0 n ALA 220 Cb 0.96 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1bw0 n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw0 n GLY 221 N 2.32 1.66 2.74 0.00 0.00 -1.26 -4.93 105.19 105.71 1bw0 n GLY 221 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1bw0 n GLY 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bw0 n MET 222 N -2.00 4.07 -4.28 1.61 2.00 0.50 -4.91 117.12 114.10 1bw0 n MET 222 Ca 0.00 -3.62 -0.34 0.00 0.00 0.00 0.00 57.70 53.74 1bw0 n MET 222 Cb 0.00 -2.78 -0.14 0.00 0.00 0.00 0.00 33.22 30.30 1bw0 n MET 222 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1bw0 s VAL 223 N -0.53 3.31 0.19 2.03 1.01 -1.26 -1.56 120.40 123.59 1bw0 s VAL 223 Ca 0.44 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 1bw0 s VAL 223 Cb 0.13 -2.46 -0.10 0.00 0.00 0.00 0.00 36.38 33.95 1bw0 s VAL 223 CO -0.02 0.47 1.50 -0.36 0.00 0.00 0.00 175.10 176.69 1bw0 s PHE 224 N 0.91 3.08 -0.17 5.22 0.08 0.45 -4.91 117.98 122.63 1bw0 s PHE 224 Ca -0.01 0.81 0.16 0.00 0.12 0.00 0.00 56.93 58.01 1bw0 s PHE 224 Cb -0.15 -3.85 0.34 0.00 -0.57 0.00 0.00 43.02 38.78 1bw0 s PHE 224 CO 0.00 -3.01 1.22 1.63 -0.10 0.00 0.00 175.22 174.97 1bw0 n LYS 225 N 3.41 2.04 0.05 0.44 5.02 -1.26 -4.74 118.16 123.12 1bw0 n LYS 225 Ca 0.11 -2.52 -0.22 0.00 -2.02 0.00 0.00 58.31 53.66 1bw0 n LYS 225 Cb 0.40 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 33.72 1bw0 n LYS 225 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1bw0 h GLY 226 N 0.66 0.39 -0.59 0.72 0.00 -1.97 -3.17 103.07 99.10 1bw0 h GLY 226 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.34 1bw0 h GLY 226 CO 0.07 0.87 0.00 1.17 0.00 0.00 0.00 176.54 178.64 1bw0 n LYS 227 N -3.53 1.71 -3.15 4.80 4.81 -1.26 -4.69 118.16 116.85 1bw0 n LYS 227 Ca -0.25 -1.04 0.06 0.00 -0.87 0.00 0.00 58.31 56.21 1bw0 n LYS 227 Cb 1.07 -1.47 -0.01 0.00 0.02 0.00 0.00 35.03 34.64 1bw0 n LYS 227 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1bw0 s ASP 228 N -1.94 -0.12 0.00 3.14 2.15 -1.26 -5.04 116.67 113.61 1bw0 s ASP 228 Ca 0.37 0.03 0.17 0.00 0.43 0.00 0.00 52.55 53.55 1bw0 s ASP 228 Cb 0.21 1.09 0.95 0.00 -0.30 0.00 0.00 42.92 44.86 1bw0 s ASP 228 CO 0.32 -0.02 1.45 -2.65 -0.17 0.00 0.00 175.17 174.10 1bw0 n PRO 229 N 5.20 0.42 0.00 4.34 -0.02 -1.20 -2.03 135.00 141.71 1bw0 n PRO 229 Ca 0.04 0.05 0.11 0.00 -2.02 0.00 0.00 63.50 61.67 1bw0 n PRO 229 Cb 0.57 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 1bw0 n PRO 229 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1bw0 n ASN 230 N -1.11 0.69 -4.77 2.55 3.02 -1.26 -4.96 115.26 109.42 1bw0 n ASN 230 Ca 0.11 -0.58 -0.41 0.00 -0.03 0.00 0.00 54.58 53.66 1bw0 n ASN 230 Cb 0.09 1.09 -0.00 0.00 -0.61 0.00 0.00 39.78 40.34 1bw0 n ASN 230 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bw0 n ALA 231 N -1.71 2.50 -3.21 5.41 0.00 -0.86 -5.00 120.51 117.64 1bw0 n ALA 231 Ca 0.02 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.72 1bw0 n ALA 231 Cb 0.40 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.36 1bw0 n ALA 231 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1bw0 s THR 232 N -0.80 0.02 -0.10 0.00 -1.32 -1.26 -4.88 115.64 107.31 1bw0 s THR 232 Ca 0.56 -1.10 -0.12 0.00 -1.21 0.00 0.00 61.69 59.81 1bw0 s THR 232 Cb -0.47 -1.86 -0.05 0.00 -1.51 0.00 0.00 72.50 68.61 1bw0 s THR 232 CO 0.60 -0.10 0.28 0.12 -2.21 0.00 0.00 174.62 173.31 1bw0 s PHE 233 N -3.94 3.58 -0.34 9.09 5.36 -1.26 -4.94 117.98 125.53 1bw0 s PHE 233 Ca 0.15 0.70 -0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1bw0 s PHE 233 Cb -0.01 -2.21 0.09 0.00 -0.34 0.00 0.00 43.02 40.55 1bw0 s PHE 233 CO 0.02 0.51 0.07 0.99 -1.46 0.00 0.00 175.22 175.35 1bw0 s THR 234 N -0.43 2.82 0.50 0.12 2.01 -1.26 -4.95 115.64 114.45 1bw0 s THR 234 Ca 0.18 -1.90 -0.20 0.00 0.31 0.00 0.00 61.69 60.08 1bw0 s THR 234 Cb -0.14 -2.86 -0.08 0.00 0.01 0.00 0.00 72.50 69.44 1bw0 s THR 234 CO 0.07 -0.43 1.07 -0.55 -0.69 0.00 0.00 174.62 174.08 1bw0 s SER 235 N 1.35 6.16 0.00 3.53 0.15 -1.26 -4.92 113.70 118.70 1bw0 s SER 235 Ca 0.03 2.01 0.17 0.00 0.70 0.00 0.00 55.95 58.86 1bw0 s SER 235 Cb -0.21 -2.57 0.81 0.00 -1.71 0.00 0.00 66.02 62.34 1bw0 s SER 235 CO -0.04 -0.91 1.51 1.33 1.20 0.00 0.00 173.24 176.33 1bw0 n VAL 236 N -1.05 0.63 0.20 4.45 0.24 -1.26 -2.18 118.33 119.35 1bw0 n VAL 236 Ca 0.10 0.16 0.08 0.00 -2.04 0.00 0.00 64.34 62.63 1bw0 n VAL 236 Cb 0.52 -0.87 0.30 0.00 -1.47 0.00 0.00 33.84 32.31 1bw0 n VAL 236 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bw0 h ALA 237 N 2.72 0.91 -0.40 2.33 0.00 -1.91 -3.35 119.26 119.57 1bw0 h ALA 237 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 1bw0 h ALA 237 Cb 0.20 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 1bw0 h ALA 237 CO 0.00 0.36 0.29 -3.47 0.00 0.00 0.00 179.25 176.43 1bw0 n ASP 238 N -3.31 4.19 -4.05 0.00 2.03 -0.93 -4.89 116.55 109.59 1bw0 n ASP 238 Ca 0.01 -2.74 -0.18 0.00 0.52 0.00 0.00 54.79 52.41 1bw0 n ASP 238 Cb 0.53 -0.76 -0.14 0.00 -0.72 0.00 0.00 41.12 40.03 1bw0 n ASP 238 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1bw0 s PHE 239 N -1.37 0.85 -0.24 -0.67 0.08 -1.26 -4.88 117.98 110.49 1bw0 s PHE 239 Ca 0.24 -0.26 -0.28 0.00 0.12 0.00 0.00 56.93 56.75 1bw0 s PHE 239 Cb 0.19 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 42.12 1bw0 s PHE 239 CO 0.03 -0.01 0.98 -2.00 -0.10 0.00 0.00 175.22 174.12 1bw0 s GLU 240 N -0.67 4.23 0.06 0.44 -6.30 -1.26 -4.99 118.70 110.20 1bw0 s GLU 240 Ca 0.01 1.22 -0.27 0.00 -2.50 0.00 0.00 54.97 53.43 1bw0 s GLU 240 Cb -0.06 -3.65 0.09 0.00 0.00 0.00 0.00 34.13 30.52 1bw0 s GLU 240 CO 0.00 -0.61 0.81 -0.08 0.02 0.00 0.00 175.26 175.40 1bw0 s THR 241 N 3.12 0.00 -2.36 -1.70 -1.32 -1.26 -5.02 115.64 107.10 1bw0 s THR 241 Ca 0.41 -0.07 0.21 0.00 -1.21 0.00 0.00 61.69 61.04 1bw0 s THR 241 Cb -0.15 -1.10 0.43 0.00 -1.51 0.00 0.00 72.50 70.18 1bw0 s THR 241 CO 0.07 0.00 1.46 0.35 -2.21 0.00 0.00 174.62 174.29 1bw0 n THR 242 N -0.30 0.38 -2.72 5.08 -2.24 -1.26 -4.78 114.28 108.43 1bw0 n THR 242 Ca -0.11 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 1bw0 n THR 242 Cb 0.63 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.49 1bw0 n THR 242 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1bw0 s VAL 243 N -1.62 4.84 -0.09 2.28 1.01 -1.26 -4.72 120.40 120.84 1bw0 s VAL 243 Ca 0.35 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 64.05 1bw0 s VAL 243 Cb 0.20 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1bw0 s VAL 243 CO 0.28 0.09 1.34 -2.16 0.00 0.00 0.00 175.10 174.66 1bw0 s PRO 244 N 1.45 4.26 -0.03 2.72 0.05 -1.26 -4.68 135.00 137.50 1bw0 s PRO 244 Ca 0.50 1.81 0.07 0.00 0.05 0.00 0.00 61.00 63.43 1bw0 s PRO 244 Cb -0.20 -3.72 -0.02 0.00 0.05 0.00 0.00 34.50 30.61 1bw0 s PRO 244 CO 0.23 -0.66 -0.25 1.03 0.05 0.00 0.00 177.00 177.41 1bw0 s ARG 245 N 3.13 2.19 -0.21 4.56 0.52 0.41 -0.91 118.95 128.64 1bw0 s ARG 245 Ca 0.60 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1bw0 s ARG 245 Cb -0.26 -2.01 0.03 0.00 0.52 0.00 0.00 34.95 33.23 1bw0 s ARG 245 CO 0.21 0.48 -0.16 0.08 0.02 0.00 0.00 175.30 175.93 1bw0 s VAL 246 N -0.42 2.20 -0.19 3.52 1.01 0.77 0.03 120.40 127.32 1bw0 s VAL 246 Ca 0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1bw0 s VAL 246 Cb -0.11 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1bw0 s VAL 246 CO 0.01 0.35 -0.03 -0.63 0.00 0.00 0.00 175.10 174.80 1bw0 s ILE 247 N 1.25 3.79 -0.06 2.22 1.01 0.19 -1.10 121.20 128.49 1bw0 s ILE 247 Ca 0.01 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 1bw0 s ILE 247 Cb -0.15 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1bw0 s ILE 247 CO -0.10 0.45 0.68 -0.22 0.00 0.00 0.00 174.94 175.75 1bw0 s LEU 248 N 0.85 4.33 0.37 2.97 2.96 -0.58 -0.69 118.68 128.90 1bw0 s LEU 248 Ca -0.00 1.17 0.05 0.00 -0.22 0.00 0.00 54.13 55.13 1bw0 s LEU 248 Cb -0.14 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 1bw0 s LEU 248 CO 0.02 -0.08 0.20 -0.83 -1.32 0.00 0.00 176.35 174.34 1bw0 s GLY 249 N 0.66 2.50 0.00 7.98 0.00 -0.65 -1.51 107.32 116.29 1bw0 s GLY 249 Ca 0.36 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1bw0 s GLY 249 CO 0.18 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.23 1bw0 n GLY 250 N -0.78 -0.34 0.55 0.20 0.00 -1.26 -1.14 105.19 102.43 1bw0 n GLY 250 Ca 0.00 -1.14 0.07 0.00 0.00 0.00 0.00 46.02 44.96 1bw0 n GLY 250 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bw0 n THR 251 N -0.60 0.00 0.00 2.61 -2.24 -1.15 -4.67 114.28 108.23 1bw0 n THR 251 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1bw0 n THR 251 Cb 0.00 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1bw0 n THR 251 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bw0 n ALA 252 N 0.67 1.15 0.00 6.98 0.00 -1.26 -2.33 120.51 125.72 1bw0 n ALA 252 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1bw0 n ALA 252 Cb 0.36 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1bw0 n ALA 252 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1bw0 n ASN 254 N -0.86 0.00 -0.61 0.00 6.94 -1.26 -3.00 115.26 116.46 1bw0 n ASN 254 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.62 1bw0 n ASN 254 Cb 0.00 0.00 0.17 0.00 -2.36 0.00 0.00 39.78 37.59 1bw0 n ASN 254 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1bw0 n LEU 255 N -0.30 3.11 -4.23 -4.53 4.77 -0.98 -4.87 117.00 109.97 1bw0 n LEU 255 Ca 0.00 -2.43 -0.33 0.00 -0.03 0.00 0.00 56.01 53.23 1bw0 n LEU 255 Cb 0.00 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1bw0 n LEU 255 CO 0.00 0.68 -0.40 1.33 -1.33 0.00 0.00 177.39 177.68 1bw0 n VAL 256 N -0.09 -1.60 -3.13 4.08 0.24 -1.22 -4.24 118.33 112.37 1bw0 n VAL 256 Ca 0.14 -0.52 -0.21 0.00 -2.04 0.00 0.00 64.34 61.71 1bw0 n VAL 256 Cb 0.58 -1.46 -0.04 0.00 -1.47 0.00 0.00 33.84 31.46 1bw0 n VAL 256 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1bw0 n VAL 257 N -4.63 0.73 0.22 3.34 0.24 -1.16 -4.73 118.33 112.33 1bw0 n VAL 257 Ca -0.29 -4.83 0.07 0.00 -2.04 0.00 0.00 64.34 57.25 1bw0 n VAL 257 Cb 0.68 -0.76 0.50 0.00 -1.47 0.00 0.00 33.84 32.78 1bw0 n VAL 257 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1bw0 h PRO 258 N 3.12 0.00 0.00 7.34 0.13 -1.81 -2.65 132.00 138.13 1bw0 h PRO 258 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1bw0 h PRO 258 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1bw0 h PRO 258 CO 0.59 0.26 0.00 0.41 -0.23 0.00 0.00 178.00 179.04 1bw0 n GLY 259 N -0.45 -1.12 0.02 1.56 0.00 -1.26 -3.27 105.19 100.67 1bw0 n GLY 259 Ca -0.02 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1bw0 n GLY 259 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bw0 n TRP 260 N -1.17 0.00 -3.64 1.61 7.02 -1.00 -4.94 117.44 115.32 1bw0 n TRP 260 Ca 0.17 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.37 1bw0 n TRP 260 Cb 0.18 -0.37 0.04 0.00 -2.42 0.00 0.00 31.31 28.74 1bw0 n TRP 260 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1bw0 n ARG 261 N -1.42 -1.73 -3.99 -0.99 5.12 -1.20 -4.76 116.66 107.68 1bw0 n ARG 261 Ca 0.08 0.52 -0.27 0.00 -1.93 0.00 0.00 57.85 56.24 1bw0 n ARG 261 Cb 0.33 -4.45 -0.17 0.00 -1.16 0.00 0.00 32.46 27.01 1bw0 n ARG 261 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1bw0 s LEU 262 N -6.37 1.33 0.30 0.55 2.96 -1.26 -2.83 118.68 113.36 1bw0 s LEU 262 Ca 0.42 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1bw0 s LEU 262 Cb -0.13 -0.92 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1bw0 s LEU 262 CO 0.84 -0.09 0.48 -0.83 -1.32 0.00 0.00 176.35 175.43 1bw0 s GLY 263 N 1.57 1.02 0.16 7.98 0.00 -0.79 -2.96 107.32 114.30 1bw0 s GLY 263 Ca 0.03 -1.21 -0.08 0.00 0.00 0.00 0.00 44.72 43.46 1bw0 s GLY 263 CO -0.08 -0.82 0.26 0.66 0.00 0.00 0.00 173.10 173.13 1bw0 s TRP 264 N -3.44 0.40 -0.15 1.90 -2.14 -0.29 -1.11 118.94 114.12 1bw0 s TRP 264 Ca 0.27 -0.77 0.02 0.00 2.66 0.00 0.00 56.10 58.28 1bw0 s TRP 264 Cb -0.00 -0.08 0.01 0.00 -3.10 0.00 0.00 33.47 30.30 1bw0 s TRP 264 CO 0.15 -0.69 -0.21 -0.51 -2.66 0.00 0.00 176.95 173.02 1bw0 s LEU 265 N -2.96 2.14 -0.28 -4.66 1.43 0.14 -1.64 118.68 112.85 1bw0 s LEU 265 Ca 0.16 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1bw0 s LEU 265 Cb 0.04 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.83 1bw0 s LEU 265 CO -0.01 0.07 0.00 -0.22 0.23 0.00 0.00 176.35 176.43 1bw0 s LEU 266 N 0.87 3.64 -0.19 1.79 2.96 0.14 -0.72 118.68 127.17 1bw0 s LEU 266 Ca -0.06 -0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 52.75 1bw0 s LEU 266 Cb -0.15 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1bw0 s LEU 266 CO -0.03 -0.20 0.27 -0.47 -1.32 0.00 0.00 176.35 174.60 1bw0 s TYR 267 N 1.35 3.42 -0.23 5.38 6.14 -0.45 0.54 117.35 133.49 1bw0 s TYR 267 Ca -0.01 0.51 0.00 0.00 0.64 0.00 0.00 57.07 58.21 1bw0 s TYR 267 Cb -0.18 -2.34 0.06 0.00 0.42 0.00 0.00 41.96 39.92 1bw0 s TYR 267 CO -0.01 0.17 -0.05 0.08 0.64 0.00 0.00 175.55 176.38 1bw0 s VAL 268 N 0.71 1.44 -0.47 3.14 1.01 0.10 -4.81 120.40 121.53 1bw0 s VAL 268 Ca 0.15 -1.15 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1bw0 s VAL 268 Cb -0.13 -1.72 0.25 0.00 0.00 0.00 0.00 36.38 34.78 1bw0 s VAL 268 CO 0.04 -0.10 0.85 -0.67 0.00 0.00 0.00 175.10 175.22 1bw0 n ASP 269 N 4.71 -2.38 0.25 3.32 2.03 -1.26 -0.44 116.55 122.78 1bw0 n ASP 269 Ca -0.12 -3.24 0.08 0.00 0.52 0.00 0.00 54.79 52.03 1bw0 n ASP 269 Cb 0.44 1.45 0.62 0.00 -0.72 0.00 0.00 41.12 42.92 1bw0 n ASP 269 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1bw0 h PRO 270 N 3.92 0.00 -0.58 -0.67 0.11 -1.90 -2.30 132.00 130.58 1bw0 h PRO 270 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1bw0 h PRO 270 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1bw0 h PRO 270 CO 0.34 0.08 0.00 0.72 -0.21 0.00 0.00 178.00 178.93 1bw0 n HIS 271 N -4.33 0.95 -3.97 0.65 8.25 -1.26 -4.98 115.22 110.54 1bw0 n HIS 271 Ca -0.03 -0.39 -0.34 0.00 -0.26 0.00 0.00 57.72 56.70 1bw0 n HIS 271 Cb 0.16 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 1bw0 n HIS 271 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bw0 n GLY 272 N 0.97 -0.60 0.40 -1.41 0.00 -0.87 -4.91 105.19 98.78 1bw0 n GLY 272 Ca 0.18 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.61 1bw0 n GLY 272 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bw0 n ASN 273 N -2.65 1.64 -2.76 1.61 3.02 -1.26 -4.57 115.26 110.30 1bw0 n ASN 273 Ca -0.20 -1.28 -0.09 0.00 -0.03 0.00 0.00 54.58 52.98 1bw0 n ASN 273 Cb 0.63 0.36 0.08 0.00 -0.61 0.00 0.00 39.78 40.24 1bw0 n ASN 273 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bw0 n GLY 274 N 1.39 1.40 0.25 7.41 0.00 -1.26 -4.94 105.19 109.45 1bw0 n GLY 274 Ca 0.10 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1bw0 n GLY 274 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bw0 h PRO 275 N 2.58 0.00 -0.11 1.61 0.13 -1.96 -1.76 132.00 132.49 1bw0 h PRO 275 Ca -0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 1bw0 h PRO 275 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1bw0 h PRO 275 CO 0.15 0.11 -0.08 0.77 -0.23 0.00 0.00 178.00 178.71 1bw0 h SER 276 N 0.00 0.15 0.08 1.44 0.02 -1.98 -2.27 113.55 110.99 1bw0 h SER 276 Ca -0.00 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1bw0 h SER 276 Cb 0.21 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1bw0 h SER 276 CO 0.01 0.26 -0.20 0.15 -1.14 0.00 0.00 176.83 175.91 1bw0 h PHE 277 N 0.16 -0.53 -0.81 3.45 3.04 -1.68 0.42 116.94 120.99 1bw0 h PHE 277 Ca 0.04 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1bw0 h PHE 277 Cb 0.25 0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.95 1bw0 h PHE 277 CO 0.00 -0.29 0.34 1.25 -2.02 0.00 0.00 178.31 177.59 1bw0 h LEU 278 N -0.37 1.10 -0.62 0.59 5.85 -1.58 -2.06 115.31 118.22 1bw0 h LEU 278 Ca 0.04 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1bw0 h LEU 278 Cb 0.40 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1bw0 h LEU 278 CO -0.13 0.97 0.35 -0.08 -0.34 0.00 0.00 178.44 179.21 1bw0 h GLU 279 N 1.17 0.85 -0.94 1.25 4.57 -1.12 -2.50 114.58 117.86 1bw0 h GLU 279 Ca 0.27 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1bw0 h GLU 279 Cb 0.20 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.57 1bw0 h GLU 279 CO -0.02 0.63 0.62 0.78 -1.18 0.00 0.00 179.01 179.83 1bw0 h GLY 280 N 0.83 1.33 0.97 1.92 0.00 -0.55 -1.44 103.07 106.13 1bw0 h GLY 280 Ca 0.22 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1bw0 h GLY 280 CO -0.04 0.49 0.62 1.41 0.00 0.00 0.00 176.54 179.02 1bw0 h LEU 281 N 1.28 1.03 -0.26 3.11 3.38 -1.04 -0.40 115.31 122.42 1bw0 h LEU 281 Ca 0.34 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 58.09 1bw0 h LEU 281 Cb -0.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.38 1bw0 h LEU 281 CO -0.07 0.72 -0.77 0.11 0.09 0.00 0.00 178.44 178.52 1bw0 h LYS 282 N 1.20 0.63 0.19 1.13 1.57 -0.96 -2.70 116.57 117.63 1bw0 h LYS 282 Ca 0.37 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1bw0 h LYS 282 Cb -0.02 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1bw0 h LYS 282 CO -0.11 1.14 -0.09 0.00 -0.57 0.00 0.00 179.45 179.82 1bw0 h ARG 283 N 0.43 -0.24 -0.25 3.15 2.47 -0.77 -3.03 114.38 116.13 1bw0 h ARG 283 Ca -0.05 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 1bw0 h ARG 283 Cb 1.37 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.73 1bw0 h ARG 283 CO 0.15 -0.11 -0.06 0.28 0.56 0.00 0.00 179.97 180.79 1bw0 h VAL 284 N -0.32 1.19 0.00 2.04 2.07 -1.16 -2.32 116.25 117.75 1bw0 h VAL 284 Ca -0.03 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1bw0 h VAL 284 Cb 0.25 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1bw0 h VAL 284 CO 0.04 0.26 -0.08 1.23 0.02 0.00 0.00 177.57 179.04 1bw0 h GLY 285 N 0.79 0.00 2.00 2.17 0.00 -1.36 -2.44 103.07 104.23 1bw0 h GLY 285 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1bw0 h GLY 285 CO 0.02 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.59 1bw0 n MET 286 N -3.47 0.06 0.10 4.80 2.00 -0.87 -0.95 117.12 118.79 1bw0 n MET 286 Ca -0.02 0.30 -0.22 0.00 0.00 0.00 0.00 57.70 57.76 1bw0 n MET 286 Cb 0.21 -1.61 -0.13 0.00 0.00 0.00 0.00 33.22 31.69 1bw0 n MET 286 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1bw0 h LEU 287 N 0.00 0.84 0.01 4.03 3.38 -1.59 -3.38 115.31 118.60 1bw0 h LEU 287 Ca 0.00 -0.79 -0.37 0.00 0.09 0.00 0.00 57.88 56.81 1bw0 h LEU 287 Cb 0.29 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1bw0 h LEU 287 CO 0.00 1.60 -2.36 0.52 0.09 0.00 0.00 178.44 178.29 1bw0 n VAL 288 N -3.76 1.46 -2.48 1.22 0.31 -1.15 -5.06 118.33 108.87 1bw0 n VAL 288 Ca -0.14 -0.73 -0.04 0.00 -0.01 0.00 0.00 64.34 63.42 1bw0 n VAL 288 Cb 1.00 -0.93 0.02 0.00 -0.91 0.00 0.00 33.84 33.01 1bw0 n VAL 288 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bw0 n GLY 290 N -0.94 -2.44 3.90 0.00 0.00 -1.25 -4.84 105.19 99.63 1bw0 n GLY 290 Ca -0.03 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 1bw0 n GLY 290 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bw0 s PRO 291 N -2.92 2.27 -0.24 1.61 0.04 -1.26 -4.83 135.00 129.67 1bw0 s PRO 291 Ca 0.00 0.16 -0.36 0.00 0.04 0.00 0.00 61.00 60.83 1bw0 s PRO 291 Cb 0.00 -2.01 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 1bw0 s PRO 291 CO 0.00 -1.37 1.94 0.00 0.04 0.00 0.00 177.00 177.61 1bw0 h THR 293 N 5.95 1.19 -0.43 0.00 1.35 -1.90 -1.83 112.91 117.24 1bw0 h THR 293 Ca -0.41 -0.43 -0.04 0.00 -0.55 0.00 0.00 66.41 64.98 1bw0 h THR 293 Cb 1.30 -0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 1bw0 h THR 293 CO 0.98 0.23 0.09 1.62 -0.25 0.00 0.00 175.52 178.18 1bw0 h VAL 294 N 1.24 1.20 -0.07 6.82 3.04 -1.90 -0.90 116.25 125.68 1bw0 h VAL 294 Ca 0.38 -0.73 -0.14 0.00 -1.01 0.00 0.00 66.70 65.20 1bw0 h VAL 294 Cb -0.04 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 1bw0 h VAL 294 CO -0.11 0.26 -0.57 0.58 -1.01 0.00 0.00 177.57 176.73 1bw0 h VAL 295 N 0.63 1.38 -0.26 1.51 2.07 -1.81 -2.92 116.25 116.85 1bw0 h VAL 295 Ca 0.14 -1.90 -0.11 0.00 0.82 0.00 0.00 66.70 65.65 1bw0 h VAL 295 Cb 0.27 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1bw0 h VAL 295 CO 0.00 0.56 -0.31 1.56 0.02 0.00 0.00 177.57 179.40 1bw0 h GLN 296 N 0.16 0.54 0.00 1.57 4.20 -0.41 -2.82 115.11 118.35 1bw0 h GLN 296 Ca -0.00 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1bw0 h GLN 296 Cb 1.04 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1bw0 h GLN 296 CO 0.09 0.79 -0.11 0.00 -0.67 0.00 0.00 178.83 178.92 1bw0 h ALA 297 N 1.20 1.37 0.00 3.87 0.00 -1.02 -2.49 119.26 122.19 1bw0 h ALA 297 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bw0 h ALA 297 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bw0 h ALA 297 CO 0.06 0.14 -0.50 0.00 0.00 0.00 0.00 179.25 178.95 1bw0 n ALA 298 N -2.32 3.35 -0.10 0.00 0.00 -1.07 -4.48 120.51 115.90 1bw0 n ALA 298 Ca -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.02 1bw0 n ALA 298 Cb 0.22 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 1bw0 n ALA 298 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bw0 h LEU 299 N 0.00 0.37 -0.26 0.00 5.85 -1.40 -0.58 115.31 119.29 1bw0 h LEU 299 Ca 0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1bw0 h LEU 299 Cb 0.55 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 1bw0 h LEU 299 CO 0.00 0.27 -0.24 1.23 -0.34 0.00 0.00 178.44 179.36 1bw0 h GLY 300 N 0.44 -0.15 0.95 3.75 0.00 -1.78 0.32 103.07 106.60 1bw0 h GLY 300 Ca 0.13 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.77 1bw0 h GLY 300 CO -0.04 -0.20 0.34 -2.09 0.00 0.00 0.00 176.54 174.55 1bw0 h GLU 301 N -0.24 0.66 -0.50 4.80 4.57 -1.81 0.65 114.58 122.71 1bw0 h GLU 301 Ca 0.14 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1bw0 h GLU 301 Cb 0.46 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1bw0 h GLU 301 CO -0.40 0.44 0.24 0.00 -1.18 0.00 0.00 179.01 178.11 1bw0 h ALA 302 N 1.21 0.65 0.13 2.92 0.00 -0.05 0.25 119.26 124.37 1bw0 h ALA 302 Ca 0.20 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1bw0 h ALA 302 Cb -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.56 1bw0 h ALA 302 CO -0.06 0.21 -1.09 -0.07 0.00 0.00 0.00 179.25 178.24 1bw0 h LEU 303 N 0.67 0.43 0.00 0.00 3.38 -0.92 -3.29 115.31 115.58 1bw0 h LEU 303 Ca 0.17 -0.90 -0.00 0.00 0.09 0.00 0.00 57.88 57.24 1bw0 h LEU 303 Cb 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1bw0 h LEU 303 CO -0.02 1.50 -1.27 0.18 0.09 0.00 0.00 178.44 178.92 1bw0 n LEU 304 N -4.04 0.63 -0.29 1.67 4.77 0.21 -4.27 117.00 115.69 1bw0 n LEU 304 Ca -0.19 0.24 0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1bw0 n LEU 304 Cb 0.86 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.89 1bw0 n LEU 304 CO 0.45 -0.14 0.20 -3.20 -1.33 0.00 0.00 177.39 173.37 1bw0 n ASN 305 N -2.57 1.44 -4.67 -1.43 5.15 0.85 -4.89 115.26 109.14 1bw0 n ASN 305 Ca -0.01 -1.22 -0.42 0.00 -0.60 0.00 0.00 54.58 52.33 1bw0 n ASN 305 Cb 0.56 0.59 -0.03 0.00 -0.53 0.00 0.00 39.78 40.36 1bw0 n ASN 305 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1bw0 s THR 306 N -2.04 4.79 0.44 -0.44 2.01 -1.14 -4.86 115.64 114.40 1bw0 s THR 306 Ca 0.12 1.84 -0.25 0.00 0.31 0.00 0.00 61.69 63.70 1bw0 s THR 306 Cb 0.13 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1bw0 s THR 306 CO 0.46 -0.06 1.33 -2.65 -0.69 0.00 0.00 174.62 173.01 1bw0 n PRO 307 N 5.64 2.01 0.27 4.92 -0.02 -1.26 -4.88 135.00 141.67 1bw0 n PRO 307 Ca 0.08 0.72 0.10 0.00 -2.02 0.00 0.00 63.50 62.37 1bw0 n PRO 307 Cb 0.48 -2.48 0.71 0.00 -0.02 0.00 0.00 33.50 32.19 1bw0 n PRO 307 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1bw0 h GLN 308 N 2.08 0.00 -0.43 -0.52 5.75 -1.97 -2.11 115.11 117.91 1bw0 h GLN 308 Ca -0.49 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 57.99 1bw0 h GLN 308 Cb 1.29 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.82 1bw0 h GLN 308 CO 0.60 0.01 0.19 0.93 -2.65 0.00 0.00 178.83 177.91 1bw0 h GLU 309 N 0.00 0.61 -0.31 1.69 3.07 -1.98 -1.23 114.58 116.42 1bw0 h GLU 309 Ca -0.00 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1bw0 h GLU 309 Cb 0.02 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1bw0 h GLU 309 CO 0.00 0.49 0.12 1.25 -1.40 0.00 0.00 179.01 179.47 1bw0 h HIS 310 N 0.61 0.49 -0.08 4.33 2.76 -1.74 0.28 115.15 121.79 1bw0 h HIS 310 Ca 0.15 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1bw0 h HIS 310 Cb 0.10 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1bw0 h HIS 310 CO 0.01 0.48 0.03 -0.07 -1.30 0.00 0.00 177.93 177.08 1bw0 h LEU 311 N 0.36 0.05 -0.93 0.26 3.38 -1.54 -2.72 115.31 114.17 1bw0 h LEU 311 Ca 0.10 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1bw0 h LEU 311 Cb 0.21 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1bw0 h LEU 311 CO -0.01 0.04 0.61 0.44 0.09 0.00 0.00 178.44 179.61 1bw0 h ASP 312 N 0.08 1.02 0.02 -0.43 3.32 -1.04 -2.33 116.42 117.07 1bw0 h ASP 312 Ca 0.03 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1bw0 h ASP 312 Cb 0.01 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1bw0 h ASP 312 CO -0.03 0.71 -0.25 1.56 -1.72 0.00 0.00 179.24 179.51 1bw0 h GLN 313 N 1.19 0.37 -0.22 3.56 4.20 -0.80 0.25 115.11 123.65 1bw0 h GLN 313 Ca 0.36 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1bw0 h GLN 313 Cb -0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1bw0 h GLN 313 CO -0.11 0.60 0.10 0.82 -0.67 0.00 0.00 178.83 179.57 1bw0 h ILE 314 N 0.33 1.14 -0.73 2.54 2.04 -1.11 -1.46 117.51 120.26 1bw0 h ILE 314 Ca 0.05 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 1bw0 h ILE 314 Cb 0.62 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1bw0 h ILE 314 CO 0.04 0.14 0.24 0.58 0.00 0.00 0.00 178.15 179.15 1bw0 h VAL 315 N 0.22 1.26 -0.08 1.67 2.07 -1.24 -2.29 116.25 117.87 1bw0 h VAL 315 Ca 0.08 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1bw0 h VAL 315 Cb 0.13 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1bw0 h VAL 315 CO -0.01 0.35 -0.20 0.00 0.02 0.00 0.00 177.57 177.73 1bw0 h ALA 316 N 1.12 1.53 -0.03 1.67 0.00 -0.73 0.46 119.26 123.28 1bw0 h ALA 316 Ca 0.24 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1bw0 h ALA 316 Cb 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bw0 h ALA 316 CO -0.01 0.34 -0.89 0.87 0.00 0.00 0.00 179.25 179.56 1bw0 h LYS 317 N 0.12 0.48 0.13 0.00 1.57 -0.93 -2.88 116.57 115.06 1bw0 h LYS 317 Ca 0.02 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1bw0 h LYS 317 Cb 0.42 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1bw0 h LYS 317 CO 0.03 1.12 -0.06 0.82 -0.57 0.00 0.00 179.45 180.78 1bw0 h ILE 318 N 0.29 0.96 -0.72 1.86 2.04 -0.79 -2.56 117.51 118.59 1bw0 h ILE 318 Ca -0.07 -0.38 0.16 0.00 1.00 0.00 0.00 64.86 65.57 1bw0 h ILE 318 Cb 1.52 1.20 -0.12 0.00 -0.74 0.00 0.00 36.82 38.67 1bw0 h ILE 318 CO 0.16 0.09 0.03 -0.08 0.00 0.00 0.00 178.15 178.35 1bw0 h GLU 319 N -0.35 0.13 -0.45 2.37 4.81 -0.99 0.69 114.58 120.79 1bw0 h GLU 319 Ca -0.02 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1bw0 h GLU 319 Cb 0.28 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1bw0 h GLU 319 CO 0.03 0.08 0.21 1.49 -0.73 0.00 0.00 179.01 180.09 1bw0 h GLU 320 N 0.13 0.41 -0.11 1.92 4.81 -1.38 0.47 114.58 120.82 1bw0 h GLU 320 Ca 0.39 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.41 1bw0 h GLU 320 Cb 0.68 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1bw0 h GLU 320 CO -0.61 0.27 -0.72 0.77 -0.73 0.00 0.00 179.01 177.99 1bw0 h SER 321 N 0.42 0.60 -0.33 1.04 0.02 -0.45 -1.81 113.55 113.04 1bw0 h SER 321 Ca 0.20 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1bw0 h SER 321 Cb 0.13 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1bw0 h SER 321 CO -0.16 1.13 0.09 0.00 -1.14 0.00 0.00 176.83 176.75 1bw0 h ALA 322 N 0.86 0.44 -0.49 3.77 0.00 0.68 -0.68 119.26 123.83 1bw0 h ALA 322 Ca -0.03 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1bw0 h ALA 322 Cb 1.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1bw0 h ALA 322 CO 0.13 0.09 -0.19 0.52 0.00 0.00 0.00 179.25 179.80 1bw0 h MET 323 N 0.38 0.99 -0.30 0.00 2.07 -0.09 -0.18 114.93 117.80 1bw0 h MET 323 Ca 0.11 -0.41 -0.00 0.00 -2.07 0.00 0.00 59.70 57.32 1bw0 h MET 323 Cb 0.27 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.95 1bw0 h MET 323 CO -0.00 1.09 0.17 -0.92 1.07 0.00 0.00 176.91 178.31 1bw0 h TYR 324 N 0.84 0.40 -0.10 -0.22 5.03 -1.23 -1.55 116.97 120.14 1bw0 h TYR 324 Ca 0.11 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1bw0 h TYR 324 Cb 0.76 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 1bw0 h TYR 324 CO 0.05 0.33 0.06 1.25 -1.32 0.00 0.00 178.16 178.53 1bw0 h LEU 325 N 0.37 0.13 -0.56 2.82 5.85 -0.91 -2.48 115.31 120.52 1bw0 h LEU 325 Ca 0.10 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.81 1bw0 h LEU 325 Cb 0.05 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1bw0 h LEU 325 CO -0.02 0.16 0.27 0.22 -0.34 0.00 0.00 178.44 178.73 1bw0 h TYR 326 N 0.08 0.48 -0.23 1.25 3.20 -0.89 0.93 116.97 121.79 1bw0 h TYR 326 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1bw0 h TYR 326 Cb 0.06 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1bw0 h TYR 326 CO -0.05 0.21 0.09 -0.91 -1.64 0.00 0.00 178.16 175.86 1bw0 h ASN 327 N 0.50 0.32 1.15 -2.11 2.35 -1.20 -3.27 115.58 113.33 1bw0 h ASN 327 Ca 0.26 -0.17 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 1bw0 h ASN 327 Cb 0.21 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1bw0 h ASN 327 CO -0.20 0.40 -0.84 0.45 -1.65 0.00 0.00 177.43 175.59 1bw0 h HIS 328 N 0.22 0.00 -0.31 1.19 3.86 -1.26 -3.33 115.15 115.52 1bw0 h HIS 328 Ca 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1bw0 h HIS 328 Cb 0.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 1bw0 h HIS 328 CO -0.01 0.84 -0.11 0.82 0.86 0.00 0.00 177.93 180.33 1bw0 h ILE 329 N 0.00 1.23 -0.72 2.45 1.08 -0.88 -2.77 117.51 117.90 1bw0 h ILE 329 Ca -0.01 -1.02 0.09 0.00 -0.39 0.00 0.00 64.86 63.54 1bw0 h ILE 329 Cb 1.64 1.11 -0.05 0.00 -3.07 0.00 0.00 36.82 36.45 1bw0 h ILE 329 CO 0.11 0.34 0.48 1.23 -0.69 0.00 0.00 178.15 179.61 1bw0 h GLY 330 N 0.93 0.88 2.00 5.37 0.00 -1.66 -1.96 103.07 108.63 1bw0 h GLY 330 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1bw0 h GLY 330 CO 0.03 0.15 0.00 -2.09 0.00 0.00 0.00 176.54 174.63 1bw0 h GLU 331 N 0.63 0.00 -6.01 4.80 4.81 -1.67 -3.43 114.58 113.71 1bw0 h GLU 331 Ca 0.33 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 59.00 1bw0 h GLU 331 Cb 0.46 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1bw0 h GLU 331 CO -0.12 0.00 0.21 0.00 -0.73 0.00 0.00 179.01 178.37 1bw0 n ILE 333 N 4.16 0.21 -0.38 0.00 5.41 -1.26 -1.75 119.36 125.74 1bw0 n ILE 333 Ca 0.01 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1bw0 n ILE 333 Cb 0.50 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1bw0 n ILE 333 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bw0 n GLY 334 N 3.55 1.37 3.36 7.39 0.00 -1.26 -4.86 105.19 114.73 1bw0 n GLY 334 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1bw0 n GLY 334 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bw0 s LEU 335 N 0.00 3.84 -0.37 0.99 1.43 -0.72 0.37 118.68 124.23 1bw0 s LEU 335 Ca 0.00 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1bw0 s LEU 335 Cb 0.00 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.42 1bw0 s LEU 335 CO 0.00 -0.18 0.13 0.00 0.23 0.00 0.00 176.35 176.53 1bw0 s ALA 336 N 1.52 3.03 0.30 4.21 0.00 -0.13 -4.28 121.76 126.41 1bw0 s ALA 336 Ca 0.03 -2.38 -0.27 0.00 0.00 0.00 0.00 51.96 49.34 1bw0 s ALA 336 Cb -0.17 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.63 1bw0 s ALA 336 CO 0.03 -1.67 0.97 -1.25 0.00 0.00 0.00 175.76 173.84 1bw0 s PRO 337 N 1.11 4.63 0.39 0.00 0.04 -1.26 0.11 135.00 140.02 1bw0 s PRO 337 Ca 0.06 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 1bw0 s PRO 337 Cb -0.21 -2.97 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 1bw0 s PRO 337 CO -0.04 0.30 0.72 0.95 0.04 0.00 0.00 177.00 178.96 1bw0 s THR 338 N -1.43 4.87 -0.14 1.26 -4.23 -0.73 -4.88 115.64 110.36 1bw0 s THR 338 Ca 0.47 0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 61.08 1bw0 s THR 338 Cb -0.23 -3.76 -0.01 0.00 1.34 0.00 0.00 72.50 69.84 1bw0 s THR 338 CO 0.29 -0.53 1.07 -0.32 -0.54 0.00 0.00 174.62 174.59 1bw0 s MET 339 N -3.94 4.35 -0.07 3.99 1.75 -1.26 -4.62 119.30 119.50 1bw0 s MET 339 Ca 0.49 1.46 -0.30 0.00 -1.25 0.00 0.00 55.69 56.09 1bw0 s MET 339 Cb -0.10 -3.59 -0.02 0.00 2.84 0.00 0.00 34.83 33.95 1bw0 s MET 339 CO 0.33 -0.46 0.99 -1.25 -0.65 0.00 0.00 175.02 173.98 1bw0 s PRO 340 N 2.52 4.47 -0.02 4.11 0.04 -1.26 -4.80 135.00 140.07 1bw0 s PRO 340 Ca 0.49 1.39 0.18 0.00 0.04 0.00 0.00 61.00 63.10 1bw0 s PRO 340 Cb -0.19 -3.51 -0.26 0.00 0.04 0.00 0.00 34.50 30.59 1bw0 s PRO 340 CO 0.15 -0.22 0.49 0.54 0.04 0.00 0.00 177.00 178.01 1bw0 n ARG 341 N 4.60 0.74 0.00 4.56 5.12 0.29 -4.97 116.66 126.99 1bw0 n ARG 341 Ca 0.08 -0.12 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1bw0 n ARG 341 Cb 0.50 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 1bw0 n ARG 341 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bw0 n GLY 342 N 1.46 0.95 7.00 -0.13 0.00 -1.06 -0.41 105.19 112.99 1bw0 n GLY 342 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1bw0 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw0 n ALA 343 N -3.00 0.00 -1.29 4.61 0.00 -0.60 -4.29 120.51 115.94 1bw0 n ALA 343 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1bw0 n ALA 343 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1bw0 n ALA 343 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1bw0 n MET 344 N 0.00 0.96 -4.35 0.00 2.81 -1.26 -4.98 117.12 110.30 1bw0 n MET 344 Ca 0.00 -1.98 -0.18 0.00 -1.81 0.00 0.00 57.70 53.73 1bw0 n MET 344 Cb 0.00 -1.14 -0.10 0.00 -0.71 0.00 0.00 33.22 31.27 1bw0 n MET 344 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1bw0 s TYR 345 N -1.82 1.68 -0.04 2.03 2.02 -1.26 -0.47 117.35 119.49 1bw0 s TYR 345 Ca 0.20 -0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 1bw0 s TYR 345 Cb 0.17 -0.89 0.03 0.00 -0.40 0.00 0.00 41.96 40.87 1bw0 s TYR 345 CO 0.02 0.21 0.02 -1.17 -1.57 0.00 0.00 175.55 173.06 1bw0 s LEU 346 N -3.33 0.66 -0.19 -1.29 0.20 -0.53 -4.45 118.68 109.75 1bw0 s LEU 346 Ca 0.25 0.01 -0.08 0.00 0.69 0.00 0.00 54.13 55.00 1bw0 s LEU 346 Cb 0.02 -0.23 -0.04 0.00 -0.43 0.00 0.00 46.19 45.52 1bw0 s LEU 346 CO 0.08 -0.18 0.07 -0.32 -0.29 0.00 0.00 176.35 175.71 1bw0 s MET 347 N 1.65 3.96 -0.03 1.98 -2.45 -1.26 -1.34 119.30 121.81 1bw0 s MET 347 Ca -0.01 -0.35 0.06 0.00 -1.25 0.00 0.00 55.69 54.14 1bw0 s MET 347 Cb -0.13 -3.24 -0.01 0.00 1.25 0.00 0.00 34.83 32.70 1bw0 s MET 347 CO -0.03 0.22 -0.22 0.45 1.05 0.00 0.00 175.02 176.50 1bw0 s SER 348 N 0.51 2.59 0.27 1.11 0.15 -0.57 -1.77 113.70 115.98 1bw0 s SER 348 Ca 0.03 -0.41 -0.29 0.00 0.70 0.00 0.00 55.95 55.98 1bw0 s SER 348 Cb -0.13 -0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 63.65 1bw0 s SER 348 CO 0.01 0.24 0.99 -0.60 1.20 0.00 0.00 173.24 175.08 1bw0 s ARG 349 N -0.35 4.74 -0.25 5.44 3.52 0.29 -0.77 118.95 131.57 1bw0 s ARG 349 Ca 0.04 1.56 -0.05 0.00 -0.13 0.00 0.00 55.73 57.15 1bw0 s ARG 349 Cb -0.10 -3.17 -0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1bw0 s ARG 349 CO 0.00 0.38 0.01 0.42 -0.81 0.00 0.00 175.30 175.30 1bw0 s ILE 350 N -1.24 3.61 -1.02 4.11 1.01 0.31 -0.95 121.20 127.02 1bw0 s ILE 350 Ca 0.44 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 1bw0 s ILE 350 Cb -0.27 -2.74 0.10 0.00 0.01 0.00 0.00 42.46 39.56 1bw0 s ILE 350 CO 0.33 0.29 1.33 -1.81 0.00 0.00 0.00 174.94 175.08 1bw0 s ASP 351 N 1.49 6.64 0.60 3.58 1.01 0.16 -4.83 116.67 125.32 1bw0 s ASP 351 Ca 0.04 -1.94 0.34 0.00 0.71 0.00 0.00 52.55 51.71 1bw0 s ASP 351 Cb -0.15 -2.48 1.94 0.00 1.01 0.00 0.00 42.92 43.24 1bw0 s ASP 351 CO -0.01 -1.21 2.25 -0.07 0.21 0.00 0.00 175.17 176.34 1bw0 h LEU 352 N 11.44 0.00 -0.63 1.23 3.38 -1.91 -1.90 115.31 126.92 1bw0 h LEU 352 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1bw0 h LEU 352 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1bw0 h LEU 352 CO 1.27 0.02 0.00 -0.33 0.09 0.00 0.00 178.44 179.49 1bw0 h GLU 353 N 0.00 0.00 -0.35 1.13 4.39 -1.89 -2.95 114.58 114.92 1bw0 h GLU 353 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bw0 h GLU 353 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1bw0 h GLU 353 CO 0.00 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.48 1bw0 n LYS 354 N -2.39 1.67 -4.20 2.33 5.02 -0.71 -4.84 118.16 115.04 1bw0 n LYS 354 Ca 0.03 -0.88 -0.18 0.00 -2.02 0.00 0.00 58.31 55.26 1bw0 n LYS 354 Cb 0.29 -1.28 -0.12 0.00 -0.02 0.00 0.00 35.03 33.90 1bw0 n LYS 354 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1bw0 s TYR 355 N -1.66 1.30 -0.18 2.13 2.02 -1.11 -2.97 117.35 116.87 1bw0 s TYR 355 Ca 0.16 -0.51 0.07 0.00 -0.37 0.00 0.00 57.07 56.42 1bw0 s TYR 355 Cb 0.09 -0.71 -0.22 0.00 -0.40 0.00 0.00 41.96 40.72 1bw0 s TYR 355 CO 0.10 0.09 0.12 2.89 -1.57 0.00 0.00 175.55 177.18 1bw0 n ARG 356 N 0.91 0.68 -0.08 -0.62 1.85 -0.74 -4.61 116.66 114.05 1bw0 n ARG 356 Ca -0.18 0.14 -0.08 0.00 -1.00 0.00 0.00 57.85 56.73 1bw0 n ARG 356 Cb 0.55 -1.60 -0.16 0.00 -1.05 0.00 0.00 32.46 30.21 1bw0 n ARG 356 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1bw0 n ASP 357 N -3.10 0.13 -4.66 2.89 5.68 -1.26 -4.92 116.55 111.31 1bw0 n ASP 357 Ca -0.34 0.06 -0.43 0.00 -0.50 0.00 0.00 54.79 53.57 1bw0 n ASP 357 Cb 1.07 0.93 -0.02 0.00 -1.14 0.00 0.00 41.12 41.96 1bw0 n ASP 357 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1bw0 s ILE 358 N -2.60 4.65 -0.01 2.12 1.01 -1.26 -4.93 121.20 120.18 1bw0 s ILE 358 Ca -0.09 1.97 0.08 0.00 0.00 0.00 0.00 60.65 62.61 1bw0 s ILE 358 Cb 0.07 -4.33 -0.12 0.00 0.01 0.00 0.00 42.46 38.09 1bw0 s ILE 358 CO 0.84 -0.23 0.16 1.17 0.00 0.00 0.00 174.94 176.88 1bw0 n LYS 359 N 6.41 0.37 -4.24 2.79 4.81 -1.26 -4.79 118.16 122.25 1bw0 n LYS 359 Ca 0.12 -0.07 -0.14 0.00 -0.87 0.00 0.00 58.31 57.35 1bw0 n LYS 359 Cb 0.46 -1.19 -0.10 0.00 0.02 0.00 0.00 35.03 34.23 1bw0 n LYS 359 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1bw0 s THR 360 N -2.52 0.95 0.29 3.15 2.01 -1.26 -5.01 115.64 113.25 1bw0 s THR 360 Ca -0.03 -2.02 0.02 0.00 0.31 0.00 0.00 61.69 59.98 1bw0 s THR 360 Cb 0.05 -1.93 0.10 0.00 0.01 0.00 0.00 72.50 70.73 1bw0 s THR 360 CO 0.32 -0.66 1.77 -2.24 -0.69 0.00 0.00 174.62 173.12 1bw0 h ASP 361 N 2.76 0.55 -0.67 3.53 3.04 -1.94 -1.54 116.42 122.14 1bw0 h ASP 361 Ca -0.37 -0.15 -0.04 0.00 -3.24 0.00 0.00 57.03 53.23 1bw0 h ASP 361 Cb 1.19 -0.15 -0.03 0.00 -1.04 0.00 0.00 39.33 39.31 1bw0 h ASP 361 CO 0.64 0.71 0.25 0.58 -2.04 0.00 0.00 179.24 179.38 1bw0 h VAL 362 N 0.51 1.24 -0.63 4.15 2.07 -1.93 -1.82 116.25 119.84 1bw0 h VAL 362 Ca 0.09 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1bw0 h VAL 362 Cb 0.53 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1bw0 h VAL 362 CO 0.03 0.31 0.19 -0.08 0.02 0.00 0.00 177.57 178.04 1bw0 h GLU 363 N 0.96 0.97 -0.39 1.57 4.81 -1.87 -0.64 114.58 119.99 1bw0 h GLU 363 Ca 0.22 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1bw0 h GLU 363 Cb 0.23 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1bw0 h GLU 363 CO -0.02 0.84 0.22 0.35 -0.73 0.00 0.00 179.01 179.68 1bw0 h PHE 364 N 0.94 0.52 0.31 0.92 3.04 -0.92 -0.39 116.94 121.36 1bw0 h PHE 364 Ca 0.21 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 1bw0 h PHE 364 Cb 0.28 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1bw0 h PHE 364 CO 0.02 0.39 -0.15 0.35 -2.02 0.00 0.00 178.31 176.90 1bw0 h PHE 365 N 0.51 -0.39 -0.24 0.41 3.57 -0.91 -1.47 116.94 118.41 1bw0 h PHE 365 Ca 0.14 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1bw0 h PHE 365 Cb 0.03 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1bw0 h PHE 365 CO -0.03 -0.24 0.01 0.93 -2.23 0.00 0.00 178.31 176.75 1bw0 h GLU 366 N -0.42 0.09 -0.20 1.11 5.08 -0.96 -1.68 114.58 117.60 1bw0 h GLU 366 Ca -0.04 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1bw0 h GLU 366 Cb 0.32 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1bw0 h GLU 366 CO 0.07 0.06 -0.40 0.87 -1.00 0.00 0.00 179.01 178.61 1bw0 h LYS 367 N 0.10 0.63 -0.88 2.33 1.57 -1.08 -2.17 116.57 117.06 1bw0 h LYS 367 Ca 0.11 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1bw0 h LYS 367 Cb 0.14 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1bw0 h LYS 367 CO -0.18 1.02 0.58 1.25 -0.57 0.00 0.00 179.45 181.55 1bw0 h LEU 368 N 0.31 0.97 -0.15 2.94 5.85 -1.18 0.74 115.31 124.79 1bw0 h LEU 368 Ca 0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1bw0 h LEU 368 Cb 1.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1bw0 h LEU 368 CO 0.09 0.68 0.02 0.25 -0.34 0.00 0.00 178.44 179.14 1bw0 h LEU 369 N 1.14 0.24 -0.87 2.25 5.85 -1.12 -1.11 115.31 121.70 1bw0 h LEU 369 Ca 0.34 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1bw0 h LEU 369 Cb -0.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1bw0 h LEU 369 CO -0.10 0.44 0.58 -0.08 -0.34 0.00 0.00 178.44 178.94 1bw0 h GLU 370 N 0.03 1.14 0.01 1.25 4.81 -0.93 -0.91 114.58 119.98 1bw0 h GLU 370 Ca 0.05 -0.07 -0.33 0.00 -0.13 0.00 0.00 59.36 58.88 1bw0 h GLU 370 Cb 0.31 -0.26 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1bw0 h GLU 370 CO 0.00 0.75 -2.00 0.39 -0.73 0.00 0.00 179.01 177.43 1bw0 n GLU 371 N -4.48 0.66 0.00 1.92 1.02 0.21 -3.95 120.64 116.02 1bw0 n GLU 371 Ca 0.10 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1bw0 n GLU 371 Cb 0.02 -1.68 -0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1bw0 n GLU 371 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bw0 n GLU 372 N -2.99 2.89 -3.57 3.49 -0.58 -0.43 -4.83 120.64 114.63 1bw0 n GLU 372 Ca -0.25 -0.28 -0.21 0.00 -0.42 0.00 0.00 57.16 56.00 1bw0 n GLU 372 Cb 1.09 -0.78 0.07 0.00 -0.57 0.00 0.00 31.44 31.24 1bw0 n GLU 372 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1bw0 n ASN 373 N -0.48 -3.47 -4.13 1.62 5.15 -0.35 -4.87 115.26 108.74 1bw0 n ASN 373 Ca 0.00 -0.64 -0.31 0.00 -0.60 0.00 0.00 54.58 53.03 1bw0 n ASN 373 Cb 0.02 -4.81 -0.17 0.00 -0.53 0.00 0.00 39.78 34.30 1bw0 n ASN 373 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1bw0 s VAL 374 N -3.39 1.88 -0.27 3.44 1.01 -1.23 -1.69 120.40 120.15 1bw0 s VAL 374 Ca 0.24 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1bw0 s VAL 374 Cb -0.11 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1bw0 s VAL 374 CO 0.75 0.51 0.01 -1.58 0.00 0.00 0.00 175.10 174.79 1bw0 s GLN 375 N 0.93 3.00 0.51 2.72 0.74 -0.81 -2.77 119.66 123.98 1bw0 s GLN 375 Ca -0.06 -0.89 0.01 0.00 0.05 0.00 0.00 55.36 54.48 1bw0 s GLN 375 Cb -0.15 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.78 1bw0 s GLN 375 CO -0.03 -0.40 0.04 0.14 -0.55 0.00 0.00 175.29 174.48 1bw0 s VAL 376 N 1.42 1.20 -0.09 1.34 -7.23 -1.26 -0.77 120.40 115.02 1bw0 s VAL 376 Ca 0.02 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1bw0 s VAL 376 Cb -0.17 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1bw0 s VAL 376 CO -0.01 0.00 -0.07 -0.76 -0.31 0.00 0.00 175.10 173.95 1bw0 s LEU 377 N -3.91 3.15 0.18 1.32 1.43 -1.03 -4.79 118.68 115.02 1bw0 s LEU 377 Ca 0.08 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 1bw0 s LEU 377 Cb 0.01 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.46 1bw0 s LEU 377 CO 0.04 0.32 1.20 -2.16 0.23 0.00 0.00 176.35 175.99 1bw0 s PRO 378 N -0.55 4.48 0.51 1.29 0.04 -1.26 -1.45 135.00 138.06 1bw0 s PRO 378 Ca 0.08 1.87 0.22 0.00 0.04 0.00 0.00 61.00 63.22 1bw0 s PRO 378 Cb -0.12 -3.25 1.31 0.00 0.04 0.00 0.00 34.50 32.48 1bw0 s PRO 378 CO 0.02 -0.11 2.01 0.78 0.04 0.00 0.00 177.00 179.74 1bw0 h GLY 379 N 5.37 0.13 -0.21 0.56 0.00 -0.90 -2.55 103.07 105.47 1bw0 h GLY 379 Ca -0.44 -0.04 0.27 0.00 0.00 0.00 0.00 47.33 47.12 1bw0 h GLY 379 CO 0.75 0.02 0.64 -0.84 0.00 0.00 0.00 176.54 177.11 1bw0 h THR 380 N 0.08 0.50 -0.96 4.70 2.02 -1.79 0.17 112.91 117.63 1bw0 h THR 380 Ca 0.23 -0.16 0.10 0.00 0.77 0.00 0.00 66.41 67.36 1bw0 h THR 380 Cb 0.81 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.14 1bw0 h THR 380 CO -0.02 0.08 0.61 0.40 0.37 0.00 0.00 175.52 176.97 1bw0 h ILE 381 N 0.46 0.96 -0.40 3.11 2.04 -1.81 -1.44 117.51 120.43 1bw0 h ILE 381 Ca 0.64 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 66.16 1bw0 h ILE 381 Cb 1.44 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1bw0 h ILE 381 CO -0.40 0.18 0.00 0.49 0.00 0.00 0.00 178.15 178.42 1bw0 n PHE 382 N -4.56 0.53 -2.89 1.37 3.72 -0.05 -4.88 117.46 110.69 1bw0 n PHE 382 Ca 0.17 -0.26 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 1bw0 n PHE 382 Cb 0.32 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.90 1bw0 n PHE 382 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1bw0 n HIS 383 N 0.79 -1.31 -3.14 1.38 8.25 -0.54 -2.51 115.22 118.14 1bw0 n HIS 383 Ca 0.16 0.51 -0.19 0.00 -0.26 0.00 0.00 57.72 57.93 1bw0 n HIS 383 Cb 0.39 -3.40 -0.03 0.00 1.12 0.00 0.00 29.99 28.07 1bw0 n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bw0 n ALA 384 N -3.16 1.85 -1.62 -1.41 0.00 -0.61 -4.40 120.51 111.17 1bw0 n ALA 384 Ca -0.08 -3.19 -0.46 0.00 0.00 0.00 0.00 53.44 49.70 1bw0 n ALA 384 Cb 0.56 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1bw0 n ALA 384 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bw0 n PRO 385 N 0.79 1.55 -0.27 0.00 -0.02 -1.26 -2.22 135.00 133.57 1bw0 n PRO 385 Ca 0.22 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1bw0 n PRO 385 Cb 0.61 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1bw0 n PRO 385 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bw0 n GLY 386 N 1.80 0.67 3.59 -1.23 0.00 -1.26 -4.94 105.19 103.83 1bw0 n GLY 386 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1bw0 n GLY 386 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bw0 s PHE 387 N -2.56 2.44 -0.02 1.61 0.40 -0.94 0.11 117.98 119.03 1bw0 s PHE 387 Ca 0.00 -0.70 -0.03 0.00 -0.60 0.00 0.00 56.93 55.61 1bw0 s PHE 387 Cb 0.00 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1bw0 s PHE 387 CO 0.00 0.40 0.06 -0.08 0.70 0.00 0.00 175.22 176.30 1bw0 s THR 388 N -2.78 0.03 -0.18 0.64 -1.32 0.05 -0.37 115.64 111.72 1bw0 s THR 388 Ca 0.35 -0.23 -0.08 0.00 -1.21 0.00 0.00 61.69 60.52 1bw0 s THR 388 Cb 0.09 -0.17 -0.04 0.00 -1.51 0.00 0.00 72.50 70.87 1bw0 s THR 388 CO 0.18 -0.13 0.09 -0.60 -2.21 0.00 0.00 174.62 171.95 1bw0 s ARG 389 N -0.38 3.95 0.09 7.08 3.52 -0.53 -1.51 118.95 131.17 1bw0 s ARG 389 Ca -0.04 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.36 1bw0 s ARG 389 Cb -0.03 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1bw0 s ARG 389 CO 0.00 0.36 -0.22 -0.51 -0.81 0.00 0.00 175.30 174.12 1bw0 s LEU 390 N 0.15 2.27 0.32 -0.88 1.02 -0.45 -2.47 118.68 118.64 1bw0 s LEU 390 Ca 0.07 -0.65 -0.07 0.00 0.02 0.00 0.00 54.13 53.49 1bw0 s LEU 390 Cb -0.12 -0.98 -0.06 0.00 0.02 0.00 0.00 46.19 45.06 1bw0 s LEU 390 CO -0.00 0.11 0.62 0.42 0.02 0.00 0.00 176.35 177.52 1bw0 s THR 391 N -1.04 4.94 -0.12 5.49 -4.23 -0.80 -1.46 115.64 118.42 1bw0 s THR 391 Ca 0.08 0.27 0.17 0.00 -1.18 0.00 0.00 61.69 61.03 1bw0 s THR 391 Cb -0.10 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.29 1bw0 s THR 391 CO 0.04 -0.36 1.14 0.35 -0.54 0.00 0.00 174.62 175.24 1bw0 n THR 392 N -0.99 1.69 1.04 3.99 -2.24 0.38 -4.76 114.28 113.39 1bw0 n THR 392 Ca -0.00 -2.08 0.11 0.00 -2.27 0.00 0.00 64.05 59.81 1bw0 n THR 392 Cb 0.54 -0.15 0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1bw0 n THR 392 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bw0 n THR 393 N -1.25 0.00 -2.15 4.28 -2.24 -1.26 -4.06 114.28 107.59 1bw0 n THR 393 Ca 0.14 -0.07 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 1bw0 n THR 393 Cb 0.65 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.66 1bw0 n THR 393 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bw0 s ARG 394 N -2.82 3.42 0.63 -0.78 0.52 -1.26 -4.91 118.95 113.75 1bw0 s ARG 394 Ca 0.13 0.47 -0.18 0.00 -0.52 0.00 0.00 55.73 55.63 1bw0 s ARG 394 Cb 0.17 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 1bw0 s ARG 394 CO 0.71 -0.53 1.28 -2.14 0.02 0.00 0.00 175.30 174.64 1bw0 s PRO 395 N -5.05 2.65 0.25 3.54 0.02 -1.26 -4.79 135.00 130.35 1bw0 s PRO 395 Ca 0.53 2.03 -0.04 0.00 0.02 0.00 0.00 61.00 63.54 1bw0 s PRO 395 Cb -0.11 -1.87 0.47 0.00 0.02 0.00 0.00 34.50 33.01 1bw0 s PRO 395 CO 0.50 -1.52 1.73 0.28 -0.33 0.00 0.00 177.00 177.66 1bw0 h VAL 396 N 0.64 0.65 -0.94 3.83 2.07 -1.94 -1.11 116.25 119.45 1bw0 h VAL 396 Ca -0.51 -0.15 0.23 0.00 0.82 0.00 0.00 66.70 67.09 1bw0 h VAL 396 Cb 1.33 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1bw0 h VAL 396 CO 0.54 0.08 0.63 -0.33 0.02 0.00 0.00 177.57 178.50 1bw0 h GLU 397 N 0.44 0.33 -0.28 1.57 3.07 -2.00 -0.27 114.58 117.45 1bw0 h GLU 397 Ca 0.42 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.19 1bw0 h GLU 397 Cb 0.64 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1bw0 h GLU 397 CO -0.41 0.22 -0.11 0.28 -1.40 0.00 0.00 179.01 177.59 1bw0 h VAL 398 N 0.34 1.29 -0.36 3.13 2.07 -1.55 -3.06 116.25 118.11 1bw0 h VAL 398 Ca 0.49 -1.18 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 1bw0 h VAL 398 Cb 1.34 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1bw0 h VAL 398 CO -0.17 0.37 -0.31 1.88 0.02 0.00 0.00 177.57 179.36 1bw0 h TYR 399 N 0.31 0.91 -0.13 1.57 0.05 -1.11 -1.23 116.97 117.35 1bw0 h TYR 399 Ca 0.07 -0.24 0.05 0.00 0.05 0.00 0.00 58.73 58.65 1bw0 h TYR 399 Cb 0.62 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 38.10 1bw0 h TYR 399 CO 0.06 0.99 -0.22 -0.09 -1.05 0.00 0.00 178.16 177.85 1bw0 h ARG 400 N 0.66 -0.27 -0.54 4.88 2.43 -1.28 0.66 114.38 120.91 1bw0 h ARG 400 Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1bw0 h ARG 400 Cb 0.85 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1bw0 h ARG 400 CO 0.07 -0.18 0.34 1.49 -1.51 0.00 0.00 179.97 180.19 1bw0 h GLU 401 N -0.28 0.72 -0.56 0.20 4.81 -1.42 -2.26 114.58 115.79 1bw0 h GLU 401 Ca 0.10 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1bw0 h GLU 401 Cb 0.42 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1bw0 h GLU 401 CO -0.29 0.50 -0.01 0.00 -0.73 0.00 0.00 179.01 178.49 1bw0 h ALA 402 N 1.18 0.75 -0.14 2.92 0.00 -0.24 -2.65 119.26 121.08 1bw0 h ALA 402 Ca 0.20 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1bw0 h ALA 402 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1bw0 h ALA 402 CO -0.04 0.59 -0.47 0.28 0.00 0.00 0.00 179.25 179.61 1bw0 h VAL 403 N 0.88 1.33 -0.40 0.00 2.07 0.39 0.22 116.25 120.74 1bw0 h VAL 403 Ca 0.16 -1.67 0.06 0.00 0.82 0.00 0.00 66.70 66.06 1bw0 h VAL 403 Cb 0.55 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1bw0 h VAL 403 CO 0.03 0.51 0.11 -0.33 0.02 0.00 0.00 177.57 177.91 1bw0 h GLU 404 N 0.29 0.24 -0.30 1.57 5.08 -1.25 0.27 114.58 120.48 1bw0 h GLU 404 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1bw0 h GLU 404 Cb 0.94 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1bw0 h GLU 404 CO 0.08 0.16 0.09 0.00 -1.00 0.00 0.00 179.01 178.34 1bw0 h ARG 405 N 0.25 0.46 -0.68 2.33 3.08 -1.10 -2.31 114.38 116.41 1bw0 h ARG 405 Ca 0.19 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1bw0 h ARG 405 Cb 0.20 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1bw0 h ARG 405 CO -0.22 0.51 0.35 0.82 -1.07 0.00 0.00 179.97 180.36 1bw0 h ILE 406 N 0.32 1.22 0.24 2.04 2.04 -0.33 -2.17 117.51 120.86 1bw0 h ILE 406 Ca 0.10 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1bw0 h ILE 406 Cb 0.24 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1bw0 h ILE 406 CO -0.00 0.25 -0.36 0.50 0.00 0.00 0.00 178.15 178.53 1bw0 h LYS 407 N 0.94 -0.65 -0.85 2.37 3.64 -0.37 0.13 116.57 121.78 1bw0 h LYS 407 Ca 0.24 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.79 1bw0 h LYS 407 Cb 0.07 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 31.96 1bw0 h LYS 407 CO -0.03 -0.43 0.46 0.00 -2.27 0.00 0.00 179.45 177.18 1bw0 h ALA 408 N -0.16 1.26 -0.50 5.00 0.00 -1.26 0.45 119.26 124.05 1bw0 h ALA 408 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1bw0 h ALA 408 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1bw0 h ALA 408 CO -0.14 -0.00 -0.08 0.35 0.00 0.00 0.00 179.25 179.38 1bw0 h PHE 409 N 0.71 1.00 -0.05 0.00 3.57 -1.07 -2.52 116.94 118.57 1bw0 h PHE 409 Ca 0.44 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1bw0 h PHE 409 Cb 0.54 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1bw0 h PHE 409 CO -0.07 0.94 -0.00 0.00 -2.23 0.00 0.00 178.31 176.94 1bw0 h GLN 411 N -0.21 1.02 -0.49 0.00 4.20 -1.00 -2.02 115.11 116.61 1bw0 h GLN 411 Ca 0.01 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1bw0 h GLN 411 Cb 0.33 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1bw0 h GLN 411 CO 0.00 0.67 0.01 -0.09 -0.67 0.00 0.00 178.83 178.75 1bw0 h ARG 412 N 1.05 0.80 -0.22 1.46 2.43 -1.36 -3.06 114.38 115.48 1bw0 h ARG 412 Ca 0.46 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1bw0 h ARG 412 Cb 0.34 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1bw0 h ARG 412 CO -0.23 0.80 0.00 0.72 -1.51 0.00 0.00 179.97 179.76 1bw0 n HIS 413 N -4.22 0.28 -2.02 2.20 8.25 -0.81 -4.96 115.22 113.94 1bw0 n HIS 413 Ca 0.03 -0.14 -0.39 0.00 -0.26 0.00 0.00 57.72 56.96 1bw0 n HIS 413 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1bw0 n HIS 413 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bw0 s ALA 414 N -1.72 3.13 -2.94 -1.41 0.00 -0.90 -1.79 121.76 116.13 1bw0 s ALA 414 Ca 0.35 1.22 0.24 0.00 0.00 0.00 0.00 51.96 53.77 1bw0 s ALA 414 Cb 0.20 -3.49 0.29 0.00 0.00 0.00 0.00 23.12 20.12 1bw0 s ALA 414 CO 0.29 -0.92 1.32 0.00 0.00 0.00 0.00 175.76 176.45