#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwf s LYS 3 N 0.00 1.05 -0.03 3.49 1.02 -1.20 -2.62 119.74 121.44 1bwf s LYS 3 Ca 0.00 -1.47 0.21 0.00 0.02 0.00 0.00 55.97 54.72 1bwf s LYS 3 Cb 0.00 -2.43 -0.26 0.00 -0.52 0.00 0.00 37.83 34.62 1bwf s LYS 3 CO 0.00 -1.00 0.49 1.63 -0.92 0.00 0.00 175.35 175.55 1bwf n LYS 4 N 4.46 0.66 -4.51 1.68 5.02 1.28 -4.71 118.16 122.03 1bwf n LYS 4 Ca 0.01 -0.08 -0.25 0.00 -2.02 0.00 0.00 58.31 55.97 1bwf n LYS 4 Cb 0.41 -1.58 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 1bwf n LYS 4 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1bwf s TYR 5 N -3.23 1.85 -0.06 2.13 2.02 0.45 -3.77 117.35 116.74 1bwf s TYR 5 Ca -0.07 -1.15 -0.05 0.00 -0.37 0.00 0.00 57.07 55.43 1bwf s TYR 5 Cb 0.11 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.46 1bwf s TYR 5 CO 0.87 -0.16 0.15 -1.50 -1.57 0.00 0.00 175.55 173.34 1bwf s ILE 6 N -3.22 0.00 -0.17 2.71 2.07 -0.34 0.15 121.20 122.40 1bwf s ILE 6 Ca 0.27 -0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.47 1bwf s ILE 6 Cb 0.05 -0.22 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 1bwf s ILE 6 CO 0.14 -0.00 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.41 1bwf s VAL 7 N 0.07 3.54 0.12 4.00 1.01 -0.99 -0.43 120.40 127.72 1bwf s VAL 7 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1bwf s VAL 7 Cb -0.01 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1bwf s VAL 7 CO 0.00 0.48 0.31 0.00 0.00 0.00 0.00 175.10 175.90 1bwf s ALA 8 N 0.66 3.88 0.02 5.51 0.00 0.51 -1.47 121.76 130.88 1bwf s ALA 8 Ca -0.04 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.30 1bwf s ALA 8 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 1bwf s ALA 8 CO 0.02 0.69 -0.26 -0.51 0.00 0.00 0.00 175.76 175.71 1bwf s LEU 9 N -2.71 2.13 -0.30 0.00 1.02 -0.59 -1.98 118.68 116.25 1bwf s LEU 9 Ca 0.38 -0.54 -0.03 0.00 0.02 0.00 0.00 54.13 53.96 1bwf s LEU 9 Cb -0.12 -1.27 0.11 0.00 0.02 0.00 0.00 46.19 44.92 1bwf s LEU 9 CO 0.27 0.27 0.16 -0.62 0.02 0.00 0.00 176.35 176.44 1bwf s ASP 10 N -1.01 3.27 -0.64 2.29 -1.08 -0.24 -1.19 116.67 118.07 1bwf s ASP 10 Ca 0.11 -1.32 -0.21 0.00 -0.52 0.00 0.00 52.55 50.61 1bwf s ASP 10 Cb -0.10 -0.25 0.09 0.00 -1.46 0.00 0.00 42.92 41.20 1bwf s ASP 10 CO 0.01 -0.42 0.84 -1.58 0.52 0.00 0.00 175.17 174.54 1bwf s GLN 11 N 2.03 3.09 0.29 4.34 -0.44 -0.15 0.09 119.66 128.91 1bwf s GLN 11 Ca 0.10 -1.11 0.02 0.00 -2.50 0.00 0.00 55.36 51.87 1bwf s GLN 11 Cb -0.16 -4.27 -0.03 0.00 -1.64 0.00 0.00 33.01 26.90 1bwf s GLN 11 CO -0.33 -1.68 0.46 0.20 0.50 0.00 0.00 175.29 174.44 1bwf s GLY 12 N 3.65 1.37 0.39 2.59 0.00 -0.46 -0.46 107.32 114.39 1bwf s GLY 12 Ca 0.17 -1.01 0.16 0.00 0.00 0.00 0.00 44.72 44.05 1bwf s GLY 12 CO 0.08 -0.98 1.79 -0.84 0.00 0.00 0.00 173.10 173.15 1bwf h THR 13 N 1.03 0.58 -0.00 0.90 2.02 -1.96 -2.91 112.91 112.57 1bwf h THR 13 Ca -0.50 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1bwf h THR 13 Cb 1.22 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1bwf h THR 13 CO 0.62 0.08 -0.18 0.35 0.37 0.00 0.00 175.52 176.77 1bwf n THR 14 N -4.62 0.00 -3.51 3.16 -2.24 -1.26 -4.99 114.28 100.82 1bwf n THR 14 Ca 0.24 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 1bwf n THR 14 Cb 0.80 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 70.00 1bwf n THR 14 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bwf s SER 15 N -1.24 -0.62 0.23 3.42 1.04 -1.10 -2.59 113.70 112.84 1bwf s SER 15 Ca 0.03 0.56 -0.13 0.00 0.48 0.00 0.00 55.95 56.89 1bwf s SER 15 Cb 0.04 0.53 -0.08 0.00 0.10 0.00 0.00 66.02 66.61 1bwf s SER 15 CO 0.17 -0.64 0.62 -0.44 0.98 0.00 0.00 173.24 173.92 1bwf s SER 16 N -1.46 6.77 0.04 7.02 0.01 0.42 -1.36 113.70 125.14 1bwf s SER 16 Ca -0.08 1.11 -0.01 0.00 1.31 0.00 0.00 55.95 58.28 1bwf s SER 16 Cb -0.00 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 1bwf s SER 16 CO 0.05 -0.05 -0.01 -0.13 0.41 0.00 0.00 173.24 173.52 1bwf s ARG 17 N -2.53 0.50 -0.06 12.44 0.52 0.11 -2.07 118.95 127.87 1bwf s ARG 17 Ca 0.46 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1bwf s ARG 17 Cb -0.13 0.18 0.02 0.00 0.52 0.00 0.00 34.95 35.54 1bwf s ARG 17 CO 0.20 -0.10 -0.10 0.00 0.02 0.00 0.00 175.30 175.32 1bwf s ALA 18 N -2.87 1.07 0.06 2.13 0.00 -0.78 -1.08 121.76 120.28 1bwf s ALA 18 Ca -0.03 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1bwf s ALA 18 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1bwf s ALA 18 CO -0.06 0.07 -0.17 0.08 0.00 0.00 0.00 175.76 175.67 1bwf s VAL 19 N 0.75 1.39 -0.04 0.00 1.01 -0.84 -1.99 120.40 120.69 1bwf s VAL 19 Ca -0.13 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.67 1bwf s VAL 19 Cb -0.15 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1bwf s VAL 19 CO 0.02 0.00 -0.18 -0.69 0.00 0.00 0.00 175.10 174.25 1bwf s VAL 20 N -0.98 1.49 -0.01 2.92 1.01 0.32 -0.36 120.40 124.79 1bwf s VAL 20 Ca 0.04 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1bwf s VAL 20 Cb -0.09 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1bwf s VAL 20 CO 0.02 0.42 0.36 -0.04 0.00 0.00 0.00 175.10 175.87 1bwf s MET 21 N -0.10 0.75 0.76 2.72 1.00 0.42 0.40 119.30 125.26 1bwf s MET 21 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 55.69 55.44 1bwf s MET 21 Cb -0.11 0.34 0.12 0.00 0.00 0.00 0.00 34.83 35.18 1bwf s MET 21 CO 0.02 -0.22 1.06 0.16 0.00 0.00 0.00 175.02 176.04 1bwf s ASP 22 N -1.43 4.23 0.64 3.03 1.47 -1.02 -1.20 116.67 122.38 1bwf s ASP 22 Ca -0.12 0.03 0.37 0.00 1.18 0.00 0.00 52.55 54.01 1bwf s ASP 22 Cb -0.04 -0.43 2.06 0.00 -0.34 0.00 0.00 42.92 44.17 1bwf s ASP 22 CO 0.04 -1.96 2.25 -0.74 0.68 0.00 0.00 175.17 175.44 1bwf h HIS 23 N -0.78 0.00 -0.05 2.11 -0.00 -1.92 3.83 115.15 118.34 1bwf h HIS 23 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 1bwf h HIS 23 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 1bwf h HIS 23 CO -0.25 0.00 0.00 -0.25 -0.00 0.00 0.00 177.93 177.43 1bwf n ASP 24 N -3.38 1.53 -2.57 3.26 8.00 -1.26 -4.86 116.55 117.27 1bwf n ASP 24 Ca -0.02 -1.54 -0.13 0.00 0.71 0.00 0.00 54.79 53.80 1bwf n ASP 24 Cb 0.15 -0.02 0.06 0.00 -0.02 0.00 0.00 41.12 41.28 1bwf n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwf n ALA 25 N 0.20 -1.11 -2.50 2.24 0.00 1.27 -4.98 120.51 115.64 1bwf n ALA 25 Ca 0.18 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 1bwf n ALA 25 Cb 0.35 -2.74 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 1bwf n ALA 25 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1bwf s ASN 26 N -3.57 6.83 -0.39 0.00 0.01 -1.24 -4.83 114.94 111.75 1bwf s ASN 26 Ca 0.18 0.99 -0.25 0.00 -0.71 0.00 0.00 52.86 53.07 1bwf s ASN 26 Cb -0.08 -2.27 0.02 0.00 0.41 0.00 0.00 41.25 39.32 1bwf s ASN 26 CO 0.48 0.26 0.88 -0.51 -1.51 0.00 0.00 177.10 176.70 1bwf s ILE 27 N -0.80 4.60 -0.13 0.60 1.10 -1.26 -2.45 121.20 122.87 1bwf s ILE 27 Ca 0.25 0.96 -0.24 0.00 -0.51 0.00 0.00 60.65 61.11 1bwf s ILE 27 Cb -0.17 -4.32 -0.21 0.00 0.15 0.00 0.00 42.46 37.91 1bwf s ILE 27 CO 0.14 -0.59 0.66 0.40 -2.11 0.00 0.00 174.94 173.44 1bwf h ILE 28 N 5.87 1.45 -3.35 2.00 5.03 0.74 -3.48 117.51 125.76 1bwf h ILE 28 Ca -0.24 -2.03 -0.05 0.00 -0.12 0.00 0.00 64.86 62.41 1bwf h ILE 28 Cb 1.08 2.71 -0.13 0.00 -3.03 0.00 0.00 36.82 37.45 1bwf h ILE 28 CO 0.97 0.48 -0.07 -0.55 -0.68 0.00 0.00 178.15 178.30 1bwf s SER 29 N -6.06 -0.25 -0.30 1.72 0.15 -1.15 -4.95 113.70 102.86 1bwf s SER 29 Ca -0.15 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.19 1bwf s SER 29 Cb -0.02 0.47 0.10 0.00 -1.71 0.00 0.00 66.02 64.86 1bwf s SER 29 CO 0.56 -0.84 0.11 -0.69 1.20 0.00 0.00 173.24 173.59 1bwf s VAL 30 N -3.70 0.46 0.51 4.45 1.01 -1.26 -0.52 120.40 121.34 1bwf s VAL 30 Ca 0.02 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 1bwf s VAL 30 Cb 0.02 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1bwf s VAL 30 CO -0.11 -0.71 0.82 -0.55 0.00 0.00 0.00 175.10 174.55 1bwf s SER 31 N 1.81 6.17 -0.33 3.32 0.15 -0.84 -4.93 113.70 119.05 1bwf s SER 31 Ca 0.10 0.93 -0.04 0.00 0.70 0.00 0.00 55.95 57.64 1bwf s SER 31 Cb -0.17 -2.19 0.19 0.00 -1.71 0.00 0.00 66.02 62.14 1bwf s SER 31 CO -0.30 -0.66 0.91 -1.58 1.20 0.00 0.00 173.24 172.80 1bwf s GLN 32 N -4.81 0.34 -0.23 5.44 0.74 -1.26 -1.87 119.66 118.01 1bwf s GLN 32 Ca 0.49 0.03 -0.07 0.00 0.05 0.00 0.00 55.36 55.85 1bwf s GLN 32 Cb -0.10 0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.05 1bwf s GLN 32 CO 0.46 -0.54 0.07 1.03 -0.55 0.00 0.00 175.29 175.76 1bwf s ARG 33 N 2.32 3.78 0.47 1.67 0.52 -0.88 -4.89 118.95 121.94 1bwf s ARG 33 Ca 0.18 -0.43 -0.25 0.00 -0.52 0.00 0.00 55.73 54.72 1bwf s ARG 33 Cb -0.01 -3.30 -0.08 0.00 0.52 0.00 0.00 34.95 32.08 1bwf s ARG 33 CO -0.17 -0.03 1.39 0.39 0.02 0.00 0.00 175.30 176.91 1bwf n GLU 34 N 4.45 2.09 -4.28 3.54 -0.58 -1.26 -0.43 120.64 124.16 1bwf n GLU 34 Ca -0.16 0.75 -0.15 0.00 -0.42 0.00 0.00 57.16 57.17 1bwf n GLU 34 Cb 0.52 -2.58 -0.10 0.00 -0.57 0.00 0.00 31.44 28.70 1bwf n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1bwf s PHE 35 N -1.21 1.39 -0.03 -0.32 -0.71 -1.07 -4.87 117.98 111.17 1bwf s PHE 35 Ca 0.63 -0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 55.47 1bwf s PHE 35 Cb -0.45 -0.72 -0.03 0.00 -1.21 0.00 0.00 43.02 40.61 1bwf s PHE 35 CO 0.56 0.11 1.15 -2.00 -1.34 0.00 0.00 175.22 173.70 1bwf s GLU 36 N -3.75 4.40 -0.10 1.99 2.12 -1.26 -4.74 118.70 117.36 1bwf s GLU 36 Ca 0.20 1.63 -0.21 0.00 0.36 0.00 0.00 54.97 56.95 1bwf s GLU 36 Cb 0.03 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1bwf s GLU 36 CO 0.03 -0.35 0.61 -0.65 -0.54 0.00 0.00 175.26 174.36 1bwf s GLN 37 N 1.81 4.38 -0.18 4.30 -1.52 -1.26 -4.50 119.66 122.69 1bwf s GLN 37 Ca 0.55 0.69 -0.01 0.00 -1.95 0.00 0.00 55.36 54.65 1bwf s GLN 37 Cb -0.25 -3.45 -0.00 0.00 -0.22 0.00 0.00 33.01 29.09 1bwf s GLN 37 CO 0.24 0.08 -0.13 0.42 -0.25 0.00 0.00 175.29 175.65 1bwf s ILE 38 N 0.81 2.81 -0.89 1.08 1.01 -0.63 -4.98 121.20 120.41 1bwf s ILE 38 Ca 0.32 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 1bwf s ILE 38 Cb -0.17 -2.21 0.22 0.00 0.01 0.00 0.00 42.46 40.31 1bwf s ILE 38 CO 0.14 0.49 0.78 -0.31 0.00 0.00 0.00 174.94 176.05 1bwf s TYR 39 N 1.05 3.89 0.54 3.97 2.02 -1.26 0.66 117.35 128.21 1bwf s TYR 39 Ca -0.01 -2.97 0.33 0.00 -0.37 0.00 0.00 57.07 54.06 1bwf s TYR 39 Cb -0.15 -3.29 1.51 0.00 -0.40 0.00 0.00 41.96 39.63 1bwf s TYR 39 CO -0.03 -0.76 1.86 -1.00 -1.57 0.00 0.00 175.55 174.05 1bwf h PRO 40 N 6.16 0.00 -1.48 -1.71 0.13 -1.95 -3.42 132.00 129.73 1bwf h PRO 40 Ca 0.15 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.44 1bwf h PRO 40 Cb 0.83 -0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.73 1bwf h PRO 40 CO 0.85 0.00 0.70 -1.59 -0.23 0.00 0.00 178.00 177.73 1bwf s LYS 41 N -4.97 0.42 -0.33 0.86 -2.85 -1.26 -5.05 119.74 106.56 1bwf s LYS 41 Ca -0.05 0.02 -0.41 0.00 -1.00 0.00 0.00 55.97 54.53 1bwf s LYS 41 Cb 0.22 0.20 -0.16 0.00 -2.06 0.00 0.00 37.83 36.02 1bwf s LYS 41 CO 0.78 -0.15 1.77 -0.35 0.10 0.00 0.00 175.35 177.51 1bwf n PRO 42 N 0.42 0.95 -0.38 1.78 -0.05 -1.26 0.92 135.00 137.38 1bwf n PRO 42 Ca -0.05 0.34 0.00 0.00 -0.05 0.00 0.00 63.50 63.74 1bwf n PRO 42 Cb 0.59 -2.02 0.00 0.00 -0.05 0.00 0.00 33.50 32.01 1bwf n PRO 42 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1bwf n GLY 43 N 4.47 0.72 3.53 0.55 0.00 -1.26 -5.04 105.19 108.17 1bwf n GLY 43 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1bwf n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bwf s TRP 44 N -2.55 2.79 -0.09 1.61 0.52 0.26 -0.44 118.94 121.04 1bwf s TRP 44 Ca 0.00 -0.10 -0.04 0.00 0.02 0.00 0.00 56.10 55.99 1bwf s TRP 44 Cb 0.00 -1.61 0.05 0.00 -1.15 0.00 0.00 33.47 30.76 1bwf s TRP 44 CO 0.00 0.29 0.18 0.08 0.02 0.00 0.00 176.95 177.52 1bwf s VAL 45 N -0.87 -0.18 0.18 4.03 1.01 -1.25 -4.11 120.40 119.21 1bwf s VAL 45 Ca 0.14 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1bwf s VAL 45 Cb -0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1bwf s VAL 45 CO 0.04 0.11 0.04 -1.61 0.00 0.00 0.00 175.10 173.67 1bwf s GLU 46 N 1.79 1.14 0.25 2.72 2.02 0.21 -2.31 118.70 124.53 1bwf s GLU 46 Ca -0.03 -1.57 0.06 0.00 0.02 0.00 0.00 54.97 53.45 1bwf s GLU 46 Cb -0.12 -0.15 -0.05 0.00 0.10 0.00 0.00 34.13 33.91 1bwf s GLU 46 CO -0.07 -0.20 -0.06 -1.01 0.02 0.00 0.00 175.26 173.95 1bwf s HIS 47 N -3.77 1.81 -0.46 1.61 3.76 -0.79 -1.60 115.29 115.84 1bwf s HIS 47 Ca 0.27 -0.74 -0.17 0.00 -0.15 0.00 0.00 55.06 54.27 1bwf s HIS 47 Cb 0.07 -1.01 0.04 0.00 1.11 0.00 0.00 32.58 32.79 1bwf s HIS 47 CO 0.06 0.21 0.48 0.34 -0.85 0.00 0.00 174.74 174.98 1bwf s ASP 48 N -3.39 6.19 0.26 1.40 -1.08 -1.26 -1.93 116.67 116.86 1bwf s ASP 48 Ca 0.28 -0.91 -0.09 0.00 -0.52 0.00 0.00 52.55 51.31 1bwf s ASP 48 Cb 0.04 -2.23 0.40 0.00 -1.46 0.00 0.00 42.92 39.67 1bwf s ASP 48 CO 0.10 -0.69 1.59 -0.65 0.52 0.00 0.00 175.17 176.04 1bwf h PRO 49 N 8.81 0.01 0.54 4.34 0.11 -1.94 2.15 132.00 146.03 1bwf h PRO 49 Ca -0.27 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1bwf h PRO 49 Cb 1.11 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1bwf h PRO 49 CO 0.86 0.00 -0.26 0.52 -0.21 0.00 0.00 178.00 178.92 1bwf h MET 50 N 0.01 -0.70 -1.10 1.05 2.86 -1.97 0.46 114.93 115.52 1bwf h MET 50 Ca 0.42 0.05 0.31 0.00 -2.06 0.00 0.00 59.70 58.42 1bwf h MET 50 Cb 0.67 0.16 -0.07 0.00 0.06 0.00 0.00 31.60 32.42 1bwf h MET 50 CO -0.88 -0.41 0.76 1.49 1.06 0.00 0.00 176.91 178.93 1bwf h GLU 51 N -0.88 0.16 0.21 1.72 4.81 -0.70 2.64 114.58 122.54 1bwf h GLU 51 Ca -0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1bwf h GLU 51 Cb 0.61 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1bwf h GLU 51 CO 0.12 0.11 -0.10 0.82 -0.73 0.00 0.00 179.01 179.23 1bwf h ILE 52 N 0.17 0.00 -0.15 2.32 5.03 0.46 -1.64 117.51 123.70 1bwf h ILE 52 Ca 0.57 -0.01 0.01 0.00 -0.12 0.00 0.00 64.86 65.31 1bwf h ILE 52 Cb 1.91 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 35.68 1bwf h ILE 52 CO -0.14 0.00 -0.09 1.87 -0.68 0.00 0.00 178.15 179.11 1bwf n TRP 53 N -2.78 -0.06 0.02 1.37 -0.00 0.15 -0.31 117.44 115.82 1bwf n TRP 53 Ca -0.03 0.18 -0.08 0.00 -0.00 0.00 0.00 57.50 57.57 1bwf n TRP 53 Cb 0.11 -0.36 -0.05 0.00 -0.00 0.00 0.00 31.31 31.01 1bwf n TRP 53 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1bwf h ALA 54 N -0.39 -0.70 0.00 5.87 0.00 0.44 0.25 119.26 124.73 1bwf h ALA 54 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bwf h ALA 54 Cb 0.06 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1bwf h ALA 54 CO -0.14 -0.78 0.14 0.25 0.00 0.00 0.00 179.25 178.72 1bwf n THR 55 N -3.95 0.97 0.06 0.00 -2.24 -0.62 0.01 114.28 108.52 1bwf n THR 55 Ca -0.03 0.70 -0.17 0.00 -2.27 0.00 0.00 64.05 62.28 1bwf n THR 55 Cb 0.19 -1.70 -0.14 0.00 -2.10 0.00 0.00 70.33 66.58 1bwf n THR 55 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1bwf h GLN 56 N 0.00 0.25 -0.16 -0.78 5.75 0.25 -3.32 115.11 117.10 1bwf h GLN 56 Ca 0.00 -0.43 -0.02 0.00 -0.15 0.00 0.00 58.65 58.05 1bwf h GLN 56 Cb 0.28 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1bwf h GLN 56 CO 0.00 1.12 0.01 0.77 -2.65 0.00 0.00 178.83 178.08 1bwf h SER 57 N 0.07 0.20 0.02 -0.69 0.02 0.15 -3.19 113.55 110.13 1bwf h SER 57 Ca -0.24 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1bwf h SER 57 Cb 2.02 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.50 1bwf h SER 57 CO 0.16 0.24 -0.01 -0.50 -1.14 0.00 0.00 176.83 175.58 1bwf h TRP 58 N 0.22 -0.02 -0.62 3.45 -0.00 -1.58 -3.27 115.95 114.14 1bwf h TRP 58 Ca 0.05 -0.00 0.09 0.00 -0.00 0.00 0.00 58.89 59.03 1bwf h TRP 58 Cb 0.14 0.01 -0.09 0.00 -0.00 0.00 0.00 29.16 29.21 1bwf h TRP 58 CO 0.00 0.42 -0.26 0.25 -0.00 0.00 0.00 178.44 178.85 1bwf n THR 59 N -4.72 -0.34 0.00 1.49 -2.24 -1.23 0.06 114.28 107.30 1bwf n THR 59 Ca -0.05 1.45 0.00 0.00 -2.27 0.00 0.00 64.05 63.18 1bwf n THR 59 Cb 0.21 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 1bwf n THR 59 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bwf n LEU 60 N -4.88 0.00 0.00 3.22 7.94 -1.21 1.00 117.00 123.07 1bwf n LEU 60 Ca 0.05 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1bwf n LEU 60 Cb 0.23 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.03 1bwf n LEU 60 CO -0.09 -0.16 0.22 0.52 -1.11 0.00 0.00 177.39 176.78 1bwf n VAL 61 N -1.93 0.00 -0.07 1.96 0.31 0.11 -1.64 118.33 117.07 1bwf n VAL 61 Ca 0.00 0.95 -0.00 0.00 -0.01 0.00 0.00 64.34 65.27 1bwf n VAL 61 Cb 0.00 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1bwf n VAL 61 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1bwf n GLU 62 N -0.66 -0.05 0.00 5.55 0.00 -0.37 0.29 120.64 125.41 1bwf n GLU 62 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 57.16 57.43 1bwf n GLU 62 Cb 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 31.44 31.03 1bwf n GLU 62 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1bwf h VAL 63 N 0.00 0.00 0.00 6.31 -1.51 0.95 -0.07 116.25 121.94 1bwf h VAL 63 Ca 0.06 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 1bwf h VAL 63 Cb 0.10 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.26 1bwf h VAL 63 CO -0.18 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.34 1bwf n LEU 64 N -2.02 0.00 -0.35 4.19 4.77 0.15 -0.71 117.00 123.02 1bwf n LEU 64 Ca -0.00 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1bwf n LEU 64 Cb 0.00 -0.13 0.24 0.00 -2.33 0.00 0.00 43.42 41.20 1bwf n LEU 64 CO 0.00 -0.13 0.75 0.00 -1.33 0.00 0.00 177.39 176.68 1bwf h ALA 65 N -0.59 0.98 -0.13 -1.18 0.00 -0.25 0.24 119.26 118.33 1bwf h ALA 65 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1bwf h ALA 65 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bwf h ALA 65 CO 0.00 -0.50 0.00 0.36 0.00 0.00 0.00 179.25 179.11 1bwf n LYS 66 N -5.55 1.79 0.00 0.00 2.85 0.11 -2.99 118.16 114.37 1bwf n LYS 66 Ca 0.21 -0.66 0.00 0.00 -1.05 0.00 0.00 58.31 56.80 1bwf n LYS 66 Cb 0.67 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 1bwf n LYS 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bwf n ALA 67 N 0.12 1.46 -2.09 0.58 0.00 0.79 -4.96 120.51 116.41 1bwf n ALA 67 Ca 0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1bwf n ALA 67 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1bwf n ALA 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bwf n ASP 68 N -0.69 -4.13 -4.89 0.00 8.00 -0.99 -4.97 116.55 108.88 1bwf n ASP 68 Ca 0.00 0.04 -0.30 0.00 0.71 0.00 0.00 54.79 55.24 1bwf n ASP 68 Cb 0.00 -3.22 -0.04 0.00 -0.02 0.00 0.00 41.12 37.84 1bwf n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1bwf s ILE 69 N -2.61 5.02 0.10 0.53 -1.09 -1.11 -5.05 121.20 116.98 1bwf s ILE 69 Ca 0.00 0.20 0.06 0.00 -2.23 0.00 0.00 60.65 58.68 1bwf s ILE 69 Cb 0.00 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1bwf s ILE 69 CO 0.00 -0.16 -0.16 -0.44 -1.23 0.00 0.00 174.94 172.95 1bwf s SER 70 N -2.74 1.98 0.20 3.58 0.01 -1.26 -4.47 113.70 111.00 1bwf s SER 70 Ca 0.45 -0.70 0.17 0.00 1.31 0.00 0.00 55.95 57.18 1bwf s SER 70 Cb -0.11 -0.08 0.65 0.00 0.21 0.00 0.00 66.02 66.69 1bwf s SER 70 CO 0.26 -0.07 0.62 -1.20 0.41 0.00 0.00 173.24 173.25 1bwf n SER 71 N 0.97 0.03 0.07 2.44 7.64 -1.26 0.14 113.62 123.64 1bwf n SER 71 Ca -0.19 0.45 -0.06 0.00 1.01 0.00 0.00 58.87 60.08 1bwf n SER 71 Cb 0.55 -0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 1bwf n SER 71 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1bwf h ASP 72 N 0.00 0.00 0.08 6.43 2.03 -1.92 -3.31 116.42 119.73 1bwf h ASP 72 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1bwf h ASP 72 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 1bwf h ASP 72 CO -0.07 0.94 -0.04 0.00 -1.03 0.00 0.00 179.24 179.05 1bwf n GLN 73 N -3.32 1.21 -4.24 4.15 0.00 0.36 -3.27 117.38 112.27 1bwf n GLN 73 Ca -0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 57.00 56.16 1bwf n GLN 73 Cb 0.92 -1.49 -0.10 0.00 0.00 0.00 0.00 30.24 29.57 1bwf n GLN 73 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1bwf s ILE 74 N -2.12 4.38 0.00 -0.39 -5.25 -1.24 0.39 121.20 116.97 1bwf s ILE 74 Ca 0.39 -0.20 0.00 0.00 -0.99 0.00 0.00 60.65 59.85 1bwf s ILE 74 Cb 0.21 -2.91 0.00 0.00 2.95 0.00 0.00 42.46 42.71 1bwf s ILE 74 CO 0.38 0.52 0.34 0.00 -1.79 0.00 0.00 174.94 174.40 1bwf n ALA 75 N 3.06 -0.15 -2.65 2.27 0.00 0.39 -4.91 120.51 118.52 1bwf n ALA 75 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 1bwf n ALA 75 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1bwf n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwf s ALA 76 N -3.05 3.62 -0.18 0.00 0.00 -1.26 -3.91 121.76 116.98 1bwf s ALA 76 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1bwf s ALA 76 Cb 0.00 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1bwf s ALA 76 CO 0.00 -0.19 -0.09 0.42 0.00 0.00 0.00 175.76 175.90 1bwf s ILE 77 N -3.05 1.45 0.34 0.00 1.01 0.14 -2.33 121.20 118.76 1bwf s ILE 77 Ca 0.12 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 1bwf s ILE 77 Cb 0.01 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1bwf s ILE 77 CO 0.08 0.20 0.63 -0.83 0.00 0.00 0.00 174.94 175.02 1bwf s GLY 78 N 1.49 1.80 -0.14 6.18 0.00 -0.54 -2.42 107.32 113.69 1bwf s GLY 78 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 1bwf s GLY 78 CO -0.08 -0.37 0.11 -0.42 0.00 0.00 0.00 173.10 172.34 1bwf s ILE 79 N -2.23 -0.14 0.12 0.90 1.01 -0.80 -1.54 121.20 118.51 1bwf s ILE 79 Ca 0.46 -0.00 0.09 0.00 0.00 0.00 0.00 60.65 61.19 1bwf s ILE 79 Cb -0.10 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 1bwf s ILE 79 CO 0.32 -0.15 -0.16 0.42 0.00 0.00 0.00 174.94 175.38 1bwf s THR 80 N 2.19 2.99 0.31 2.92 -4.23 -0.33 -2.20 115.64 117.28 1bwf s THR 80 Ca 0.03 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1bwf s THR 80 Cb -0.15 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.30 1bwf s THR 80 CO -0.08 0.09 0.44 0.54 -0.54 0.00 0.00 174.62 175.07 1bwf s ASN 81 N -2.20 0.66 0.14 3.99 2.20 -1.02 -0.98 114.94 117.74 1bwf s ASN 81 Ca 0.19 -1.37 -0.30 0.00 -0.94 0.00 0.00 52.86 50.44 1bwf s ASN 81 Cb -0.11 0.62 -0.07 0.00 -2.00 0.00 0.00 41.25 39.70 1bwf s ASN 81 CO 0.11 -1.23 1.09 0.00 -2.94 0.00 0.00 177.10 174.13 1bwf s GLN 82 N -3.34 4.58 0.08 3.55 -2.07 0.39 -0.18 119.66 122.68 1bwf s GLN 82 Ca 0.30 1.67 0.26 0.00 -1.82 0.00 0.00 55.36 55.77 1bwf s GLN 82 Cb 0.00 -3.31 0.80 0.00 -1.09 0.00 0.00 33.01 29.41 1bwf s GLN 82 CO 0.17 0.04 1.67 0.54 -1.32 0.00 0.00 175.29 176.39 1bwf n ARG 83 N 2.74 0.14 -0.00 9.60 1.74 -1.26 -4.54 116.66 125.07 1bwf n ARG 83 Ca 0.04 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1bwf n ARG 83 Cb 0.47 -1.63 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1bwf n ARG 83 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1bwf n GLU 84 N -1.84 0.09 -0.93 5.56 4.71 -1.26 -4.94 120.64 122.03 1bwf n GLU 84 Ca 0.06 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.84 1bwf n GLU 84 Cb 0.39 -1.01 -0.05 0.00 -1.01 0.00 0.00 31.44 29.76 1bwf n GLU 84 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1bwf n THR 85 N -1.52 0.00 -4.65 2.62 -1.04 -1.25 -4.30 114.28 104.14 1bwf n THR 85 Ca -0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1bwf n THR 85 Cb 0.02 -0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.40 1bwf n THR 85 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1bwf s THR 86 N 0.01 3.49 0.04 12.58 2.01 -0.67 -3.94 115.64 129.16 1bwf s THR 86 Ca 0.56 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1bwf s THR 86 Cb -0.79 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1bwf s THR 86 CO 0.35 0.55 -0.14 -0.63 -0.69 0.00 0.00 174.62 174.06 1bwf s ILE 87 N -0.22 1.12 -0.10 1.82 1.09 0.11 -2.43 121.20 122.59 1bwf s ILE 87 Ca 0.02 -1.03 -0.03 0.00 -1.10 0.00 0.00 60.65 58.51 1bwf s ILE 87 Cb -0.13 -1.02 0.05 0.00 -1.06 0.00 0.00 42.46 40.30 1bwf s ILE 87 CO 0.03 -0.01 0.14 -0.69 -0.10 0.00 0.00 174.94 174.31 1bwf s VAL 88 N -0.89 -0.23 0.21 2.92 1.01 -1.26 0.19 120.40 122.36 1bwf s VAL 88 Ca 0.01 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1bwf s VAL 88 Cb -0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1bwf s VAL 88 CO 0.01 0.07 -0.03 -1.66 0.00 0.00 0.00 175.10 173.49 1bwf s TRP 89 N 2.26 1.52 0.21 5.22 -2.14 0.47 -1.06 118.94 125.42 1bwf s TRP 89 Ca 0.04 -0.87 -0.30 0.00 2.66 0.00 0.00 56.10 57.63 1bwf s TRP 89 Cb -0.13 -0.85 -0.09 0.00 -3.10 0.00 0.00 33.47 29.29 1bwf s TRP 89 CO -0.06 0.01 1.38 -1.21 -2.66 0.00 0.00 176.95 174.41 1bwf s GLU 90 N -3.83 4.32 -0.22 3.25 2.02 0.11 -0.41 118.70 123.95 1bwf s GLU 90 Ca 0.26 2.18 -0.02 0.00 0.02 0.00 0.00 54.97 57.41 1bwf s GLU 90 Cb 0.05 -3.16 -0.20 0.00 0.10 0.00 0.00 34.13 30.92 1bwf s GLU 90 CO 0.07 -0.36 -0.04 1.17 0.02 0.00 0.00 175.26 176.12 1bwf n LYS 91 N 2.67 0.68 0.22 1.61 4.81 -1.22 0.28 118.16 127.22 1bwf n LYS 91 Ca 0.07 0.20 -0.15 0.00 -0.87 0.00 0.00 58.31 57.56 1bwf n LYS 91 Cb 0.41 -1.58 -0.07 0.00 0.02 0.00 0.00 35.03 33.81 1bwf n LYS 91 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1bwf h GLU 92 N -0.03 -0.57 -0.01 1.64 4.57 -1.93 -3.14 114.58 115.10 1bwf h GLU 92 Ca -0.53 0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 57.57 1bwf h GLU 92 Cb 1.92 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 30.63 1bwf h GLU 92 CO -0.05 -0.38 -0.55 1.79 -1.18 0.00 0.00 179.01 178.64 1bwf h THR 93 N -0.59 1.39 -3.20 0.32 1.35 -1.96 -3.48 112.91 106.74 1bwf h THR 93 Ca -0.03 -1.88 -0.18 0.00 -0.55 0.00 0.00 66.41 63.76 1bwf h THR 93 Cb 0.50 2.00 0.06 0.00 -1.73 0.00 0.00 68.15 68.99 1bwf h THR 93 CO 0.02 0.54 -0.31 0.61 -0.25 0.00 0.00 175.52 176.13 1bwf n GLY 94 N 0.06 0.27 2.83 5.82 0.00 0.14 -5.01 105.19 109.30 1bwf n GLY 94 Ca -0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1bwf n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bwf s LYS 95 N -5.59 0.11 0.27 1.61 2.20 -0.28 -4.87 119.74 113.19 1bwf s LYS 95 Ca 0.27 0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 1bwf s LYS 95 Cb -0.12 -0.26 -0.14 0.00 -1.51 0.00 0.00 37.83 35.80 1bwf s LYS 95 CO 0.33 -0.08 1.06 -0.35 -0.36 0.00 0.00 175.35 175.94 1bwf n PRO 96 N 3.74 1.37 -0.40 4.03 -0.05 -1.26 0.05 135.00 142.48 1bwf n PRO 96 Ca -0.22 0.48 0.09 0.00 -0.05 0.00 0.00 63.50 63.81 1bwf n PRO 96 Cb 0.54 -1.89 0.29 0.00 -0.05 0.00 0.00 33.50 32.39 1bwf n PRO 96 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 1bwf n ILE 97 N 0.51 1.31 0.00 0.52 -5.35 -0.22 -4.76 119.36 111.37 1bwf n ILE 97 Ca 0.10 -1.11 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 1bwf n ILE 97 Cb 0.31 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1bwf n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bwf n TYR 98 N 1.10 0.00 -1.55 4.28 4.19 -1.26 -4.98 117.16 118.94 1bwf n TYR 98 Ca 0.22 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 61.03 1bwf n TYR 98 Cb 0.67 0.00 0.03 0.00 0.49 0.00 0.00 39.34 40.53 1bwf n TYR 98 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1bwf n ASN 99 N 0.00 0.14 -4.76 2.98 3.02 -1.26 -4.55 115.26 110.83 1bwf n ASN 99 Ca 0.00 0.87 -0.41 0.00 -0.03 0.00 0.00 54.58 55.01 1bwf n ASN 99 Cb 0.00 -1.27 -0.01 0.00 -0.61 0.00 0.00 39.78 37.89 1bwf n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bwf s ALA 100 N -1.49 3.68 -0.25 5.41 0.00 -0.81 -4.84 121.76 123.46 1bwf s ALA 100 Ca 0.68 1.56 -0.10 0.00 0.00 0.00 0.00 51.96 54.10 1bwf s ALA 100 Cb -0.50 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 1bwf s ALA 100 CO 0.54 -1.00 0.15 0.42 0.00 0.00 0.00 175.76 175.87 1bwf s ILE 101 N -0.37 5.12 0.52 0.00 1.01 -1.02 -1.89 121.20 124.57 1bwf s ILE 101 Ca 0.60 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 61.17 1bwf s ILE 101 Cb -0.47 -3.40 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 1bwf s ILE 101 CO 0.53 0.32 1.00 -0.69 0.00 0.00 0.00 174.94 176.10 1bwf s VAL 102 N 1.33 4.26 0.24 2.92 1.01 -0.98 -1.66 120.40 127.52 1bwf s VAL 102 Ca 0.07 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 1bwf s VAL 102 Cb -0.15 -3.59 0.21 0.00 0.00 0.00 0.00 36.38 32.85 1bwf s VAL 102 CO 0.06 -0.55 1.75 4.11 0.00 0.00 0.00 175.10 180.47 1bwf h TRP 103 N 0.99 0.60 0.00 5.22 5.08 -1.86 0.02 115.95 125.99 1bwf h TRP 103 Ca -0.47 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.50 1bwf h TRP 103 Cb 1.20 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 27.20 1bwf h TRP 103 CO 0.62 0.13 -0.17 0.37 -1.28 0.00 0.00 178.44 178.11 1bwf h GLN 104 N 0.52 0.00 -6.29 0.12 4.15 -1.90 -3.38 115.11 108.34 1bwf h GLN 104 Ca 0.40 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 59.17 1bwf h GLN 104 Cb 0.55 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.28 1bwf h GLN 104 CO -0.35 0.17 0.84 0.00 -1.93 0.00 0.00 178.83 177.55 1bwf n ARG 106 N 4.72 3.36 0.29 0.00 5.12 0.42 -4.66 116.66 125.90 1bwf n ARG 106 Ca 0.22 -2.36 0.14 0.00 -1.93 0.00 0.00 57.85 53.92 1bwf n ARG 106 Cb 0.22 -1.83 0.86 0.00 -1.16 0.00 0.00 32.46 30.56 1bwf n ARG 106 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1bwf h ARG 107 N 3.33 0.00 -0.70 5.56 0.11 -1.91 -3.04 114.38 117.74 1bwf h ARG 107 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bwf h ARG 107 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1bwf h ARG 107 CO 0.22 0.04 0.00 0.25 0.10 0.00 0.00 179.97 180.58 1bwf n THR 108 N -3.75 0.26 0.17 0.08 -2.24 -1.26 -4.44 114.28 103.09 1bwf n THR 108 Ca -0.03 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1bwf n THR 108 Cb 0.13 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 67.98 1bwf n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwf h ALA 109 N 2.50 -0.48 -0.46 6.98 0.00 -1.92 -1.59 119.26 124.30 1bwf h ALA 109 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1bwf h ALA 109 Cb 0.51 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1bwf h ALA 109 CO 0.04 -0.80 -0.34 1.49 0.00 0.00 0.00 179.25 179.64 1bwf h GLU 110 N -0.50 -0.09 -0.07 0.00 4.81 -1.90 -0.92 114.58 115.92 1bwf h GLU 110 Ca -0.01 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1bwf h GLU 110 Cb 0.46 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1bwf h GLU 110 CO -0.05 -0.06 -0.04 -0.89 -0.73 0.00 0.00 179.01 177.25 1bwf n ILE 111 N -4.31 -0.05 -0.30 2.32 5.41 -1.22 0.19 119.36 121.41 1bwf n ILE 111 Ca -0.00 1.15 0.26 0.00 1.00 0.00 0.00 62.75 65.15 1bwf n ILE 111 Cb 0.17 -1.51 0.47 0.00 -0.71 0.00 0.00 39.64 38.06 1bwf n ILE 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bwf h GLU 113 N 0.00 0.50 -0.10 0.00 4.39 0.34 -1.96 114.58 117.75 1bwf h GLU 113 Ca 0.72 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 60.34 1bwf h GLU 113 Cb 1.84 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 30.35 1bwf h GLU 113 CO -0.73 0.56 -0.47 0.45 -1.16 0.00 0.00 179.01 177.66 1bwf h HIS 114 N 0.35 -1.37 -0.87 4.33 3.86 0.90 0.53 115.15 122.90 1bwf h HIS 114 Ca 0.10 0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.50 1bwf h HIS 114 Cb 0.28 0.61 -0.15 0.00 1.06 0.00 0.00 27.41 29.21 1bwf h HIS 114 CO 0.01 -0.51 -0.37 -0.07 0.86 0.00 0.00 177.93 177.84 1bwf h LEU 115 N -0.55 -1.35 -0.92 2.43 4.07 -1.08 -0.91 115.31 116.99 1bwf h LEU 115 Ca 0.05 0.28 0.16 0.00 0.08 0.00 0.00 57.88 58.46 1bwf h LEU 115 Cb 0.66 0.70 -0.16 0.00 1.08 0.00 0.00 40.66 42.94 1bwf h LEU 115 CO -0.40 -0.29 -0.34 0.11 -1.08 0.00 0.00 178.44 176.44 1bwf h LYS 116 N -0.05 -0.02 -1.72 1.13 1.79 -0.12 -2.07 116.57 115.52 1bwf h LYS 116 Ca 0.31 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.23 1bwf h LYS 116 Cb 0.58 0.01 -0.21 0.00 -1.58 0.00 0.00 32.23 31.03 1bwf h LYS 116 CO -0.89 -0.02 0.63 2.89 -1.08 0.00 0.00 179.45 180.99 1bwf n ARG 117 N -5.50 2.40 -0.15 3.15 1.85 -0.35 -3.14 116.66 114.91 1bwf n ARG 117 Ca 0.11 -2.60 0.01 0.00 -1.00 0.00 0.00 57.85 54.37 1bwf n ARG 117 Cb 0.41 -2.08 0.02 0.00 -1.05 0.00 0.00 32.46 29.77 1bwf n ARG 117 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1bwf n ASP 118 N 0.12 0.72 -2.24 2.89 8.00 -0.78 -5.00 116.55 120.27 1bwf n ASP 118 Ca 0.48 -1.78 -0.21 0.00 0.71 0.00 0.00 54.79 53.99 1bwf n ASP 118 Cb 0.50 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 1bwf n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwf n GLY 119 N -0.30 -0.01 0.02 0.44 0.00 -1.19 -4.90 105.19 99.25 1bwf n GLY 119 Ca 0.02 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1bwf n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bwf n LEU 120 N -2.89 0.17 -0.23 0.99 4.77 -1.25 -4.11 117.00 114.44 1bwf n LEU 120 Ca -0.24 0.50 -0.01 0.00 -0.03 0.00 0.00 56.01 56.22 1bwf n LEU 120 Cb 0.69 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1bwf n LEU 120 CO 0.30 -0.03 0.69 -0.08 -1.33 0.00 0.00 177.39 176.93 1bwf h GLU 121 N 0.00 -0.06 -0.38 3.23 4.57 -1.84 -2.33 114.58 117.77 1bwf h GLU 121 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1bwf h GLU 121 Cb 0.55 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1bwf h GLU 121 CO 0.00 -0.04 0.12 -0.44 -1.18 0.00 0.00 179.01 177.47 1bwf h ASP 122 N -0.06 0.54 -0.98 1.04 3.32 -1.98 0.40 116.42 118.70 1bwf h ASP 122 Ca 0.30 -0.20 0.12 0.00 0.02 0.00 0.00 57.03 57.28 1bwf h ASP 122 Cb 0.53 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.86 1bwf h ASP 122 CO -0.72 0.60 0.62 0.22 -1.72 0.00 0.00 179.24 178.24 1bwf h TYR 123 N 0.46 1.08 0.12 4.55 3.20 -1.70 1.67 116.97 126.36 1bwf h TYR 123 Ca 0.12 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1bwf h TYR 123 Cb 0.24 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1bwf h TYR 123 CO 0.01 0.43 -0.06 0.82 -1.64 0.00 0.00 178.16 177.72 1bwf h ILE 124 N 0.94 1.06 -0.43 1.81 1.08 -1.01 0.53 117.51 121.49 1bwf h ILE 124 Ca 0.49 -0.93 0.06 0.00 -0.39 0.00 0.00 64.86 64.09 1bwf h ILE 124 Cb 0.52 1.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1bwf h ILE 124 CO -0.25 0.21 0.29 -0.09 -0.69 0.00 0.00 178.15 177.62 1bwf h ARG 125 N -0.62 0.32 0.17 2.37 2.43 0.81 0.10 114.38 119.97 1bwf h ARG 125 Ca -0.02 -0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 58.78 1bwf h ARG 125 Cb 0.48 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1bwf h ARG 125 CO 0.03 0.21 -1.76 0.77 -1.51 0.00 0.00 179.97 177.71 1bwf h SER 126 N 0.33 0.57 0.00 -3.80 0.02 0.26 -3.03 113.55 107.90 1bwf h SER 126 Ca 0.19 -0.89 -0.37 0.00 -0.84 0.00 0.00 61.79 59.87 1bwf h SER 126 Cb 0.33 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 1bwf h SER 126 CO -0.04 1.76 -2.39 0.59 -1.14 0.00 0.00 176.83 175.60 1bwf n ASN 127 N -3.56 0.19 -0.06 3.07 5.03 0.18 -4.49 115.26 115.61 1bwf n ASN 127 Ca -0.25 -0.01 -0.04 0.00 0.87 0.00 0.00 54.58 55.15 1bwf n ASN 127 Cb 1.07 0.88 -0.16 0.00 -1.02 0.00 0.00 39.78 40.55 1bwf n ASN 127 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1bwf n THR 128 N -2.79 1.05 -0.20 3.41 -2.24 0.22 0.03 114.28 113.76 1bwf n THR 128 Ca -0.34 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 1bwf n THR 128 Cb 1.14 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1bwf n THR 128 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwf n GLY 129 N 1.59 1.58 0.00 3.38 0.00 -0.37 -4.75 105.19 106.63 1bwf n GLY 129 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1bwf n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bwf n LEU 130 N 0.00 0.00 -3.51 0.99 4.77 -1.21 -2.74 117.00 115.30 1bwf n LEU 130 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1bwf n LEU 130 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1bwf n LEU 130 CO 0.00 0.00 0.50 -0.69 -1.33 0.00 0.00 177.39 175.87 1bwf s VAL 131 N 0.69 0.00 -0.27 4.08 1.01 -1.26 -4.21 120.40 120.44 1bwf s VAL 131 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 1bwf s VAL 131 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1bwf s VAL 131 CO 0.00 0.00 1.24 -0.63 0.00 0.00 0.00 175.10 175.71 1bwf s ILE 132 N -1.90 4.27 -0.17 2.22 1.01 -1.26 -4.94 121.20 120.43 1bwf s ILE 132 Ca -0.06 1.48 -0.30 0.00 0.00 0.00 0.00 60.65 61.77 1bwf s ILE 132 Cb -0.00 -4.17 0.13 0.00 0.01 0.00 0.00 42.46 38.42 1bwf s ILE 132 CO 0.02 -0.38 1.02 -0.62 0.00 0.00 0.00 174.94 174.98 1bwf s ASP 133 N 2.29 -0.36 0.00 3.58 -1.08 -1.26 -5.01 116.67 114.84 1bwf s ASP 133 Ca 0.53 0.40 0.16 0.00 -0.52 0.00 0.00 52.55 53.12 1bwf s ASP 133 Cb -0.17 0.31 0.83 0.00 -1.46 0.00 0.00 42.92 42.43 1bwf s ASP 133 CO 0.19 -0.32 1.41 -2.65 0.52 0.00 0.00 175.17 174.31 1bwf n PRO 134 N 0.77 0.31 0.13 4.34 -0.02 -1.26 -3.08 135.00 136.18 1bwf n PRO 134 Ca -0.10 0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1bwf n PRO 134 Cb 0.58 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.49 1bwf n PRO 134 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1bwf h TYR 135 N 0.00 -1.14 -3.89 6.00 3.20 -1.84 -3.43 116.97 115.87 1bwf h TYR 135 Ca 0.00 0.03 -0.47 0.00 3.14 0.00 0.00 58.73 61.43 1bwf h TYR 135 Cb 0.10 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1bwf h TYR 135 CO 0.00 -0.52 0.26 -0.06 -1.64 0.00 0.00 178.16 176.21 1bwf s PHE 136 N -5.93 3.45 0.26 -3.82 0.08 -1.18 -4.65 117.98 106.20 1bwf s PHE 136 Ca -0.16 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.41 1bwf s PHE 136 Cb 0.07 -2.77 0.52 0.00 -0.57 0.00 0.00 43.02 40.27 1bwf s PHE 136 CO 0.63 0.06 1.74 0.77 -0.10 0.00 0.00 175.22 178.32 1bwf h SER 137 N 2.45 0.37 0.00 1.36 0.02 -1.65 -3.35 113.55 112.75 1bwf h SER 137 Ca -0.48 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1bwf h SER 137 Cb 1.18 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1bwf h SER 137 CO 0.63 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 177.06 1bwf n GLY 138 N -1.33 -1.62 0.31 -3.77 0.00 0.32 -0.21 105.19 98.89 1bwf n GLY 138 Ca 0.16 0.32 0.11 0.00 0.00 0.00 0.00 46.02 46.61 1bwf n GLY 138 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1bwf h THR 139 N 0.00 0.23 0.22 2.61 1.35 -1.85 -0.32 112.91 115.15 1bwf h THR 139 Ca 0.00 -0.04 0.01 0.00 -0.55 0.00 0.00 66.41 65.83 1bwf h THR 139 Cb 0.00 0.10 -0.04 0.00 -1.73 0.00 0.00 68.15 66.49 1bwf h THR 139 CO 0.00 0.02 -0.42 0.11 -0.25 0.00 0.00 175.52 174.99 1bwf h LYS 140 N 0.12 -0.69 -0.44 4.72 1.57 -0.78 0.92 116.57 121.98 1bwf h LYS 140 Ca 0.53 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.45 1bwf h LYS 140 Cb 1.05 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.42 1bwf h LYS 140 CO -0.74 -0.46 -0.26 0.28 -0.57 0.00 0.00 179.45 177.70 1bwf h VAL 141 N -0.72 0.31 0.06 0.50 2.07 0.45 -0.77 116.25 118.15 1bwf h VAL 141 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bwf h VAL 141 Cb 0.70 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1bwf h VAL 141 CO -0.18 0.00 -0.14 0.50 0.02 0.00 0.00 177.57 177.77 1bwf h LYS 142 N -0.17 -0.22 -0.32 1.57 3.64 -0.76 0.18 116.57 120.49 1bwf h LYS 142 Ca 0.20 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1bwf h LYS 142 Cb 0.49 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1bwf h LYS 142 CO -0.54 -0.14 -0.19 1.87 -2.27 0.00 0.00 179.45 178.18 1bwf n TRP 143 N -3.24 -0.14 0.11 1.91 -0.00 0.27 0.24 117.44 116.60 1bwf n TRP 143 Ca -0.03 0.40 -0.15 0.00 -0.00 0.00 0.00 57.50 57.72 1bwf n TRP 143 Cb 0.12 -0.47 -0.09 0.00 -0.00 0.00 0.00 31.31 30.87 1bwf n TRP 143 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1bwf h ILE 144 N 0.00 0.00 -0.64 5.87 5.03 -0.41 -1.64 117.51 125.72 1bwf h ILE 144 Ca 0.05 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.85 1bwf h ILE 144 Cb 0.13 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 33.84 1bwf h ILE 144 CO -0.30 0.00 -0.37 0.18 -0.68 0.00 0.00 178.15 176.98 1bwf n LEU 145 N -5.20 -0.67 0.00 1.44 7.99 0.68 0.36 117.00 121.59 1bwf n LEU 145 Ca -0.08 1.20 0.06 0.00 -0.01 0.00 0.00 56.01 57.18 1bwf n LEU 145 Cb 0.38 -0.18 0.38 0.00 -0.11 0.00 0.00 43.42 43.89 1bwf n LEU 145 CO 0.15 -0.95 0.59 0.47 -1.51 0.00 0.00 177.39 176.14 1bwf n ASP 146 N -4.67 0.00 -0.00 -1.43 8.00 0.60 -2.50 116.55 116.53 1bwf n ASP 146 Ca 0.01 -0.43 0.06 0.00 0.71 0.00 0.00 54.79 55.14 1bwf n ASP 146 Cb 0.17 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.18 1bwf n ASP 146 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1bwf n HIS 147 N -0.98 0.00 -3.77 1.24 8.25 1.15 -4.92 115.22 116.18 1bwf n HIS 147 Ca 0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.25 1bwf n HIS 147 Cb 0.04 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 30.95 1bwf n HIS 147 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bwf s VAL 148 N -2.56 5.26 -0.00 1.59 1.01 -0.45 -5.05 120.40 120.20 1bwf s VAL 148 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1bwf s VAL 148 Cb 0.09 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1bwf s VAL 148 CO 0.52 0.05 0.58 -0.33 0.00 0.00 0.00 175.10 175.92 1bwf h GLU 149 N 2.82 -0.04 0.00 2.72 4.39 -1.91 -3.36 114.58 119.19 1bwf h GLU 149 Ca -0.46 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 1bwf h GLU 149 Cb 1.17 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1bwf h GLU 149 CO 0.73 -0.03 -0.17 0.78 -1.16 0.00 0.00 179.01 179.17 1bwf h GLY 150 N -0.06 0.00 0.00 -3.84 0.00 -1.96 -3.42 103.07 93.78 1bwf h GLY 150 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bwf h GLY 150 CO 0.01 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.41 1bwf n SER 151 N -3.16 0.00 -0.21 0.19 3.41 -1.26 0.29 113.62 112.89 1bwf n SER 151 Ca 0.03 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.65 1bwf n SER 151 Cb 0.57 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.61 1bwf n SER 151 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1bwf h ARG 152 N 0.00 0.07 0.00 4.33 3.08 -1.82 2.86 114.38 122.90 1bwf h ARG 152 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bwf h ARG 152 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1bwf h ARG 152 CO 0.00 0.04 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 1bwf n GLU 153 N -5.34 0.00 -0.36 0.04 -0.58 0.86 0.63 120.64 115.88 1bwf n GLU 153 Ca 0.09 0.15 0.29 0.00 -0.42 0.00 0.00 57.16 57.27 1bwf n GLU 153 Cb 0.36 -0.67 0.58 0.00 -0.57 0.00 0.00 31.44 31.14 1bwf n GLU 153 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1bwf h ARG 154 N 0.00 0.25 -0.91 3.49 0.11 -1.52 2.62 114.38 118.42 1bwf h ARG 154 Ca 0.00 -0.01 0.16 0.00 0.10 0.00 0.00 59.98 60.22 1bwf h ARG 154 Cb 0.00 -0.06 -0.16 0.00 1.11 0.00 0.00 29.97 30.87 1bwf h ARG 154 CO 0.00 0.16 -0.34 0.00 0.10 0.00 0.00 179.97 179.90 1bwf h ALA 155 N 1.58 0.25 -0.16 0.08 0.00 0.75 0.37 119.26 122.14 1bwf h ALA 155 Ca 0.66 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.84 1bwf h ALA 155 Cb 1.93 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 20.60 1bwf h ALA 155 CO -0.29 -0.57 0.05 -0.09 0.00 0.00 0.00 179.25 178.35 1bwf h ARG 156 N -0.03 0.24 -1.07 0.00 9.65 1.01 -1.98 114.38 122.20 1bwf h ARG 156 Ca 0.36 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1bwf h ARG 156 Cb 0.61 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1bwf h ARG 156 CO -0.93 0.37 0.00 2.89 2.80 0.00 0.00 179.97 185.09 1bwf n ARG 157 N -4.84 0.66 -2.61 0.20 0.00 0.83 -4.70 116.66 106.20 1bwf n ARG 157 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.71 1bwf n ARG 157 Cb 0.14 -1.23 -0.01 0.00 -0.00 0.00 0.00 32.46 31.37 1bwf n ARG 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bwf n GLY 158 N 0.47 -0.50 0.12 2.89 0.00 -0.74 -4.77 105.19 102.66 1bwf n GLY 158 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bwf n GLY 158 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bwf h GLU 159 N -0.12 0.00 -6.29 1.61 4.81 -0.39 -3.45 114.58 110.75 1bwf h GLU 159 Ca -0.20 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.34 1bwf h GLU 159 Cb 1.14 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.31 1bwf h GLU 159 CO 0.24 0.58 -0.74 -0.51 -0.73 0.00 0.00 179.01 177.85 1bwf s LEU 160 N -6.42 2.93 0.03 1.64 1.43 -1.06 -3.39 118.68 113.83 1bwf s LEU 160 Ca 0.02 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1bwf s LEU 160 Cb 0.08 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1bwf s LEU 160 CO 0.77 0.33 -0.17 -0.76 0.23 0.00 0.00 176.35 176.76 1bwf s LEU 161 N -0.93 2.68 -0.00 1.79 1.43 0.46 -4.09 118.68 120.02 1bwf s LEU 161 Ca 0.13 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1bwf s LEU 161 Cb -0.11 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 1bwf s LEU 161 CO 0.02 0.26 -0.19 0.12 0.23 0.00 0.00 176.35 176.79 1bwf s PHE 162 N -0.92 1.72 -0.06 0.29 2.19 0.32 -0.40 117.98 121.13 1bwf s PHE 162 Ca 0.15 -0.33 -0.31 0.00 0.33 0.00 0.00 56.93 56.77 1bwf s PHE 162 Cb -0.11 -1.09 0.11 0.00 -1.31 0.00 0.00 43.02 40.63 1bwf s PHE 162 CO 0.05 -0.01 1.00 0.20 1.83 0.00 0.00 175.22 178.29 1bwf s GLY 163 N -0.59 -0.40 0.96 13.12 0.00 0.13 -4.39 107.32 116.15 1bwf s GLY 163 Ca 0.07 1.15 -0.15 0.00 0.00 0.00 0.00 44.72 45.79 1bwf s GLY 163 CO -0.00 0.38 1.31 -0.51 0.00 0.00 0.00 173.10 174.28 1bwf s THR 164 N -2.90 2.01 0.09 0.90 -4.23 -1.26 0.05 115.64 110.29 1bwf s THR 164 Ca 0.07 -0.06 -0.36 0.00 -1.18 0.00 0.00 61.69 60.17 1bwf s THR 164 Cb -0.01 -2.95 -0.17 0.00 1.34 0.00 0.00 72.50 70.71 1bwf s THR 164 CO -0.07 0.00 1.57 0.58 -0.54 0.00 0.00 174.62 176.16 1bwf h VAL 165 N -1.62 0.04 -0.39 2.29 2.07 -1.80 0.30 116.25 117.14 1bwf h VAL 165 Ca -0.43 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1bwf h VAL 165 Cb 1.22 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1bwf h VAL 165 CO 0.35 0.00 -0.30 -2.24 0.02 0.00 0.00 177.57 175.39 1bwf h ASP 166 N -0.99 -1.06 -1.00 0.57 2.03 -1.93 0.78 116.42 114.82 1bwf h ASP 166 Ca -0.06 0.15 0.36 0.00 -0.73 0.00 0.00 57.03 56.76 1bwf h ASP 166 Cb 0.86 0.46 -0.16 0.00 -0.83 0.00 0.00 39.33 39.65 1bwf h ASP 166 CO -0.06 -0.16 0.53 0.74 -1.03 0.00 0.00 179.24 179.26 1bwf h THR 167 N -0.09 0.15 -0.06 1.15 2.02 -1.56 0.13 112.91 114.65 1bwf h THR 167 Ca 0.06 -0.06 -0.24 0.00 0.77 0.00 0.00 66.41 66.95 1bwf h THR 167 Cb 0.26 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1bwf h THR 167 CO -0.41 0.03 -0.92 -0.25 0.37 0.00 0.00 175.52 174.34 1bwf h TRP 168 N 0.16 0.96 0.49 3.16 2.91 0.42 -2.55 115.95 121.51 1bwf h TRP 168 Ca 0.78 -0.48 -0.02 0.00 1.13 0.00 0.00 58.89 60.30 1bwf h TRP 168 Cb 1.91 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 30.42 1bwf h TRP 168 CO -0.03 1.31 -0.35 -0.07 -1.03 0.00 0.00 178.44 178.26 1bwf h LEU 169 N 0.42 -0.92 -0.35 0.65 -0.00 0.20 -0.94 115.31 114.37 1bwf h LEU 169 Ca -0.09 0.06 0.05 0.00 -0.00 0.00 0.00 57.88 57.90 1bwf h LEU 169 Cb 1.55 0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 42.41 1bwf h LEU 169 CO 0.18 -0.52 -0.50 0.40 -0.00 0.00 0.00 178.44 178.00 1bwf h ILE 170 N -0.81 0.05 -1.15 1.22 2.04 -1.37 1.56 117.51 119.04 1bwf h ILE 170 Ca -0.07 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.14 1bwf h ILE 170 Cb 0.67 0.05 -0.11 0.00 -0.74 0.00 0.00 36.82 36.68 1bwf h ILE 170 CO 0.03 0.00 0.73 -0.25 0.00 0.00 0.00 178.15 178.67 1bwf h TRP 171 N -0.41 0.63 0.23 1.37 7.01 -1.35 0.61 115.95 124.03 1bwf h TRP 171 Ca 0.09 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 1bwf h TRP 171 Cb 0.61 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1bwf h TRP 171 CO -0.65 -0.08 -0.11 0.87 -2.79 0.00 0.00 178.44 175.67 1bwf h LYS 172 N 0.25 -0.30 -0.78 2.65 1.79 0.19 -2.72 116.57 117.65 1bwf h LYS 172 Ca 0.71 0.02 0.18 0.00 -2.18 0.00 0.00 60.65 59.38 1bwf h LYS 172 Cb 1.98 0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 32.57 1bwf h LYS 172 CO -0.38 0.06 0.12 0.52 -1.08 0.00 0.00 179.45 178.69 1bwf h MET 173 N -0.92 0.18 -0.91 3.15 0.00 0.70 -1.17 114.93 115.96 1bwf h MET 173 Ca -0.03 -0.01 -0.22 0.00 0.00 0.00 0.00 59.70 59.44 1bwf h MET 173 Cb 0.50 -0.04 -0.13 0.00 0.00 0.00 0.00 31.60 31.93 1bwf h MET 173 CO 0.05 0.12 0.27 0.25 0.00 0.00 0.00 176.91 177.60 1bwf n THR 174 N -5.25 2.19 0.00 2.22 -2.24 0.94 -4.45 114.28 107.69 1bwf n THR 174 Ca 0.16 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 1bwf n THR 174 Cb 0.52 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1bwf n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bwf n GLN 175 N -0.22 0.00 0.00 -0.78 6.02 -0.44 0.89 117.38 122.85 1bwf n GLN 175 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1bwf n GLN 175 Cb 1.12 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.66 1bwf n GLN 175 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bwf n GLY 176 N -0.39 -0.18 0.27 1.08 0.00 -1.06 -4.89 105.19 100.02 1bwf n GLY 176 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1bwf n GLY 176 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bwf h ARG 177 N 0.00 -0.64 -5.55 1.61 3.08 0.25 -3.44 114.38 109.69 1bwf h ARG 177 Ca 0.00 0.04 -0.63 0.00 0.07 0.00 0.00 59.98 59.47 1bwf h ARG 177 Cb 0.00 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 1bwf h ARG 177 CO 0.00 -0.43 -0.42 0.08 -1.07 0.00 0.00 179.97 178.13 1bwf s VAL 178 N -4.04 5.39 -0.58 2.04 1.01 -1.26 -5.03 120.40 117.93 1bwf s VAL 178 Ca -0.10 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1bwf s VAL 178 Cb 0.01 -3.50 0.16 0.00 0.00 0.00 0.00 36.38 33.05 1bwf s VAL 178 CO 0.29 0.52 0.41 -2.28 0.00 0.00 0.00 175.10 174.04 1bwf s HIS 179 N -0.35 2.65 0.27 5.22 2.46 -1.26 -3.75 115.29 120.52 1bwf s HIS 179 Ca 0.14 -2.93 0.05 0.00 0.47 0.00 0.00 55.06 52.79 1bwf s HIS 179 Cb -0.12 -2.10 -0.02 0.00 -0.13 0.00 0.00 32.58 30.21 1bwf s HIS 179 CO 0.03 -0.67 0.18 1.55 -2.47 0.00 0.00 174.74 173.37 1bwf n VAL 180 N 2.47 0.00 -3.54 0.89 3.14 -1.26 0.13 118.33 120.16 1bwf n VAL 180 Ca 0.20 -1.83 -0.08 0.00 -2.96 0.00 0.00 64.34 59.68 1bwf n VAL 180 Cb 0.38 0.83 -0.02 0.00 -1.06 0.00 0.00 33.84 33.98 1bwf n VAL 180 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1bwf s THR 181 N -2.92 0.00 0.51 1.55 -1.32 0.09 -3.99 115.64 109.56 1bwf s THR 181 Ca 0.25 -0.10 0.04 0.00 -1.21 0.00 0.00 61.69 60.68 1bwf s THR 181 Cb 0.01 -1.16 0.09 0.00 -1.51 0.00 0.00 72.50 69.94 1bwf s THR 181 CO 0.18 0.00 0.71 -0.90 -2.21 0.00 0.00 174.62 172.40 1bwf n ASP 182 N -0.28 1.43 -0.00 8.08 5.75 -1.26 0.24 116.55 130.51 1bwf n ASP 182 Ca -0.08 -2.10 -0.13 0.00 -0.01 0.00 0.00 54.79 52.47 1bwf n ASP 182 Cb 0.62 -0.41 -0.09 0.00 -1.03 0.00 0.00 41.12 40.20 1bwf n ASP 182 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1bwf h TYR 183 N -0.19 0.03 -0.43 2.11 0.05 -1.59 -2.47 116.97 114.49 1bwf h TYR 183 Ca -0.24 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.62 1bwf h TYR 183 Cb 0.99 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.63 1bwf h TYR 183 CO 0.00 0.37 -0.38 1.79 -1.05 0.00 0.00 178.16 178.89 1bwf h THR 184 N -0.32 0.16 0.33 -2.88 1.35 -1.88 0.63 112.91 110.29 1bwf h THR 184 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1bwf h THR 184 Cb 0.36 0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1bwf h THR 184 CO 0.00 0.00 -0.19 0.78 -0.25 0.00 0.00 175.52 175.86 1bwf h ASN 185 N -0.28 -0.47 -0.81 5.36 -0.26 -1.93 -1.88 115.58 115.31 1bwf h ASN 185 Ca 0.16 0.03 0.20 0.00 -0.56 0.00 0.00 56.30 56.13 1bwf h ASN 185 Cb 0.56 0.14 -0.13 0.00 -1.06 0.00 0.00 38.32 37.83 1bwf h ASN 185 CO -0.58 -0.31 0.18 0.00 -1.06 0.00 0.00 177.43 175.67 1bwf h ALA 186 N 0.16 1.09 -1.03 -0.83 0.00 -0.73 0.90 119.26 118.82 1bwf h ALA 186 Ca -0.04 0.21 0.30 0.00 0.00 0.00 0.00 54.91 55.38 1bwf h ALA 186 Cb 0.40 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1bwf h ALA 186 CO 0.05 -0.41 0.76 1.03 0.00 0.00 0.00 179.25 180.68 1bwf h SER 187 N 0.22 0.00 1.25 0.00 0.87 0.11 -0.30 113.55 115.70 1bwf h SER 187 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1bwf h SER 187 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1bwf h SER 187 CO -0.60 0.00 -0.07 0.54 -0.53 0.00 0.00 176.83 176.17 1bwf n ARG 188 N -4.18 0.18 0.13 2.24 5.12 0.31 -4.26 116.66 116.20 1bwf n ARG 188 Ca 0.22 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 1bwf n ARG 188 Cb 1.11 -1.69 0.11 0.00 -1.16 0.00 0.00 32.46 30.83 1bwf n ARG 188 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1bwf h THR 189 N 0.00 1.22 -0.05 0.55 1.35 -1.13 -3.32 112.91 111.53 1bwf h THR 189 Ca 0.00 -2.31 -0.02 0.00 -0.55 0.00 0.00 66.41 63.53 1bwf h THR 189 Cb 0.66 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 69.40 1bwf h THR 189 CO 0.00 0.61 -0.02 0.80 -0.25 0.00 0.00 175.52 176.66 1bwf n MET 190 N -3.48 -0.06 -2.41 4.72 1.56 -1.26 0.12 117.12 116.31 1bwf n MET 190 Ca 0.00 0.49 -0.06 0.00 -0.27 0.00 0.00 57.70 57.87 1bwf n MET 190 Cb 0.70 -4.03 0.05 0.00 2.15 0.00 0.00 33.22 32.08 1bwf n MET 190 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1bwf n LEU 191 N -0.10 2.43 -3.52 -0.89 4.32 -1.26 -4.79 117.00 113.19 1bwf n LEU 191 Ca -0.01 -3.41 -0.07 0.00 -0.02 0.00 0.00 56.01 52.50 1bwf n LEU 191 Cb 0.06 0.18 -0.08 0.00 -1.62 0.00 0.00 43.42 41.97 1bwf n LEU 191 CO 0.01 1.27 0.03 0.12 -1.22 0.00 0.00 177.39 177.60 1bwf s PHE 192 N -3.37 -0.91 0.07 -1.77 2.19 -1.26 -2.53 117.98 110.39 1bwf s PHE 192 Ca 0.34 1.37 -0.31 0.00 0.33 0.00 0.00 56.93 58.67 1bwf s PHE 192 Cb 0.35 0.27 -0.07 0.00 -1.31 0.00 0.00 43.02 42.26 1bwf s PHE 192 CO -0.03 -0.60 1.41 1.21 1.83 0.00 0.00 175.22 179.03 1bwf s ASN 193 N 2.63 6.83 -0.39 6.13 3.84 0.10 -4.47 114.94 129.61 1bwf s ASN 193 Ca 0.05 2.25 0.06 0.00 0.21 0.00 0.00 52.86 55.43 1bwf s ASN 193 Cb -0.13 -2.58 0.65 0.00 -0.55 0.00 0.00 41.25 38.64 1bwf s ASN 193 CO -0.15 -0.69 1.80 2.30 -2.79 0.00 0.00 177.10 177.58 1bwf n ILE 194 N 4.26 3.02 -2.69 -5.21 -5.35 0.10 -0.47 119.36 113.03 1bwf n ILE 194 Ca 0.12 -2.04 -0.09 0.00 -0.27 0.00 0.00 62.75 60.48 1bwf n ILE 194 Cb 0.43 -0.42 0.06 0.00 -1.74 0.00 0.00 39.64 37.97 1bwf n ILE 194 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1bwf n HIS 195 N -0.96 -0.11 0.00 4.28 -0.00 -1.26 -4.57 115.22 112.60 1bwf n HIS 195 Ca 0.51 -2.52 0.00 0.00 -0.00 0.00 0.00 57.72 55.71 1bwf n HIS 195 Cb 1.49 0.29 0.00 0.00 -0.00 0.00 0.00 29.99 31.77 1bwf n HIS 195 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1bwf n THR 196 N -0.22 0.00 -4.28 1.59 -1.04 -1.23 -4.98 114.28 104.12 1bwf n THR 196 Ca 0.05 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 1bwf n THR 196 Cb 0.82 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.25 1bwf n THR 196 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bwf n LEU 197 N -0.01 -1.16 -3.54 -4.42 7.99 0.38 -4.87 117.00 111.38 1bwf n LEU 197 Ca 0.00 -1.23 -0.10 0.00 -0.01 0.00 0.00 56.01 54.67 1bwf n LEU 197 Cb 0.00 -1.70 -0.02 0.00 -0.11 0.00 0.00 43.42 41.59 1bwf n LEU 197 CO 0.00 0.43 0.46 -0.62 -1.51 0.00 0.00 177.39 176.14 1bwf s ASP 198 N -4.26 -0.47 0.79 -1.43 2.15 -0.41 -4.98 116.67 108.07 1bwf s ASP 198 Ca 0.10 -0.15 -0.16 0.00 0.43 0.00 0.00 52.55 52.77 1bwf s ASP 198 Cb -0.06 0.60 -0.06 0.00 -0.30 0.00 0.00 42.92 43.11 1bwf s ASP 198 CO 0.98 -1.02 0.18 0.79 -0.17 0.00 0.00 175.17 175.94 1bwf n TRP 199 N -0.39 -1.99 -3.90 -5.34 5.03 -1.26 0.00 117.44 109.59 1bwf n TRP 199 Ca -0.13 0.27 -0.29 0.00 3.03 0.00 0.00 57.50 60.38 1bwf n TRP 199 Cb 0.63 -1.77 -0.16 0.00 -1.03 0.00 0.00 31.31 28.98 1bwf n TRP 199 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1bwf s ASP 200 N -1.44 3.05 0.13 -0.99 -1.08 -1.05 -4.52 116.67 110.77 1bwf s ASP 200 Ca 0.58 -0.78 -0.32 0.00 -0.52 0.00 0.00 52.55 51.51 1bwf s ASP 200 Cb -0.31 -0.97 -0.10 0.00 -1.46 0.00 0.00 42.92 40.08 1bwf s ASP 200 CO 0.65 -0.20 1.56 0.44 0.52 0.00 0.00 175.17 178.14 1bwf h ASP 201 N 8.09 -1.71 0.00 -0.34 5.19 -1.92 0.47 116.42 126.20 1bwf h ASP 201 Ca -0.23 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1bwf h ASP 201 Cb 1.10 0.69 0.00 0.00 0.18 0.00 0.00 39.33 41.30 1bwf h ASP 201 CO 0.41 -0.44 0.00 0.29 -3.12 0.00 0.00 179.24 176.37 1bwf n LYS 202 N -5.41 0.00 -0.25 3.56 4.76 -1.26 0.14 118.16 119.69 1bwf n LYS 202 Ca -0.04 0.52 -0.11 0.00 -2.87 0.00 0.00 58.31 55.81 1bwf n LYS 202 Cb 0.36 -0.82 -0.07 0.00 -1.84 0.00 0.00 35.03 32.66 1bwf n LYS 202 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1bwf h MET 203 N 0.00 -0.21 -0.89 1.97 2.86 -1.73 1.58 114.93 118.52 1bwf h MET 203 Ca 0.00 0.01 0.24 0.00 -2.06 0.00 0.00 59.70 57.90 1bwf h MET 203 Cb 0.00 0.05 -0.15 0.00 0.06 0.00 0.00 31.60 31.56 1bwf h MET 203 CO 0.00 -0.14 0.21 -0.07 1.06 0.00 0.00 176.91 177.97 1bwf h LEU 204 N -0.21 -0.06 0.00 1.22 3.38 0.35 1.23 115.31 121.21 1bwf h LEU 204 Ca 0.14 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1bwf h LEU 204 Cb 0.53 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1bwf h LEU 204 CO -0.75 -0.19 -0.02 1.05 0.09 0.00 0.00 178.44 178.62 1bwf h GLU 205 N 0.17 0.00 -0.96 1.13 4.11 0.53 0.30 114.58 119.85 1bwf h GLU 205 Ca 0.56 0.00 0.29 0.00 0.07 0.00 0.00 59.36 60.28 1bwf h GLU 205 Cb 1.15 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.22 1bwf h GLU 205 CO -0.69 0.27 0.18 0.28 0.07 0.00 0.00 179.01 179.12 1bwf h VAL 206 N -1.00 0.09 0.00 -1.06 2.07 0.31 3.83 116.25 120.48 1bwf h VAL 206 Ca -0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1bwf h VAL 206 Cb 0.28 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1bwf h VAL 206 CO -0.00 0.01 -0.19 0.18 0.02 0.00 0.00 177.57 177.59 1bwf n LEU 207 N -5.38 0.68 -3.05 2.57 4.77 0.41 -4.95 117.00 112.06 1bwf n LEU 207 Ca 0.26 0.45 -0.14 0.00 -0.03 0.00 0.00 56.01 56.55 1bwf n LEU 207 Cb 0.85 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.71 1bwf n LEU 207 CO -0.02 -0.11 0.07 -0.67 -1.33 0.00 0.00 177.39 175.32 1bwf n ASP 208 N -2.10 -3.63 -4.29 -1.43 2.03 1.26 -4.82 116.55 103.58 1bwf n ASP 208 Ca 0.05 -0.56 -0.32 0.00 0.52 0.00 0.00 54.79 54.48 1bwf n ASP 208 Cb 0.42 -4.50 -0.16 0.00 -0.72 0.00 0.00 41.12 36.16 1bwf n ASP 208 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bwf s ILE 209 N -3.32 2.48 -0.19 5.18 1.01 0.95 -4.99 121.20 122.33 1bwf s ILE 209 Ca 0.16 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 1bwf s ILE 209 Cb -0.02 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1bwf s ILE 209 CO 0.63 0.55 1.07 -2.84 0.00 0.00 0.00 174.94 174.34 1bwf s PRO 210 N 0.30 4.30 0.34 2.79 0.02 -1.26 -4.61 135.00 136.88 1bwf s PRO 210 Ca -0.14 1.42 0.11 0.00 0.02 0.00 0.00 61.00 62.40 1bwf s PRO 210 Cb -0.17 -3.63 0.60 0.00 0.02 0.00 0.00 34.50 31.32 1bwf s PRO 210 CO 0.07 -0.56 1.21 -0.09 -0.33 0.00 0.00 177.00 177.30 1bwf h ARG 211 N 7.46 0.00 0.00 5.54 1.12 -1.93 -2.54 114.38 124.02 1bwf h ARG 211 Ca -0.23 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.56 1bwf h ARG 211 Cb 1.09 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.04 1bwf h ARG 211 CO 0.95 0.00 -0.39 0.93 -3.11 0.00 0.00 179.97 178.34 1bwf h GLU 212 N 0.00 0.00 -0.02 0.20 3.07 -1.92 -3.26 114.58 112.66 1bwf h GLU 212 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1bwf h GLU 212 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1bwf h GLU 212 CO 0.00 0.39 -0.08 0.00 -1.40 0.00 0.00 179.01 177.93 1bwf n MET 213 N -3.30 1.76 -2.12 2.33 0.00 -0.96 -4.79 117.12 110.04 1bwf n MET 213 Ca 0.01 -1.26 -0.31 0.00 0.00 0.00 0.00 57.70 56.15 1bwf n MET 213 Cb 0.62 -1.47 -0.00 0.00 0.00 0.00 0.00 33.22 32.36 1bwf n MET 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1bwf s LEU 214 N -2.11 3.39 0.43 3.17 1.02 -1.23 -0.52 118.68 122.84 1bwf s LEU 214 Ca 0.31 1.39 0.08 0.00 0.02 0.00 0.00 54.13 55.93 1bwf s LEU 214 Cb 0.20 -4.40 0.02 0.00 0.02 0.00 0.00 46.19 42.03 1bwf s LEU 214 CO 0.37 -0.75 0.59 -2.16 0.02 0.00 0.00 176.35 174.41 1bwf s PRO 215 N -4.80 2.78 0.62 1.29 0.04 -1.26 -4.93 135.00 128.75 1bwf s PRO 215 Ca 0.55 -1.28 -0.15 0.00 0.04 0.00 0.00 61.00 60.16 1bwf s PRO 215 Cb -0.11 -2.75 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 1bwf s PRO 215 CO 0.47 -0.32 1.07 -2.00 0.04 0.00 0.00 177.00 176.26 1bwf s GLU 216 N -4.37 3.13 -0.25 4.56 2.12 0.12 -4.85 118.70 119.15 1bwf s GLU 216 Ca 0.55 1.23 -0.02 0.00 0.36 0.00 0.00 54.97 57.10 1bwf s GLU 216 Cb -0.10 -2.00 0.03 0.00 0.26 0.00 0.00 34.13 32.32 1bwf s GLU 216 CO 0.33 -0.97 -0.06 0.08 -0.54 0.00 0.00 175.26 174.11 1bwf s VAL 217 N -2.48 2.90 0.09 3.70 1.01 -1.26 -0.73 120.40 123.63 1bwf s VAL 217 Ca 0.64 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1bwf s VAL 217 Cb -0.17 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1bwf s VAL 217 CO 0.40 0.18 0.03 0.54 0.00 0.00 0.00 175.10 176.25 1bwf n ARG 218 N 4.67 1.59 -3.09 2.72 5.12 0.66 -4.91 116.66 123.42 1bwf n ARG 218 Ca -0.16 -0.62 -0.33 0.00 -1.93 0.00 0.00 57.85 54.81 1bwf n ARG 218 Cb 0.47 0.12 -0.06 0.00 -1.16 0.00 0.00 32.46 31.83 1bwf n ARG 218 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1bwf s ARG 219 N -2.35 4.07 0.26 5.56 1.70 -1.26 -1.52 118.95 125.41 1bwf s ARG 219 Ca 0.02 0.75 -0.03 0.00 -0.47 0.00 0.00 55.73 56.00 1bwf s ARG 219 Cb -0.00 -2.46 0.38 0.00 -0.57 0.00 0.00 34.95 32.30 1bwf s ARG 219 CO 0.02 0.17 1.88 0.77 -1.08 0.00 0.00 175.30 177.05 1bwf h SER 220 N 2.37 0.99 -3.95 -2.89 0.02 -1.80 -3.32 113.55 104.97 1bwf h SER 220 Ca -0.48 0.01 -0.66 0.00 -0.84 0.00 0.00 61.79 59.82 1bwf h SER 220 Cb 1.18 -0.20 -0.39 0.00 0.14 0.00 0.00 62.40 63.13 1bwf h SER 220 CO 0.65 0.64 -0.61 -0.94 -1.14 0.00 0.00 176.83 175.42 1bwf s SER 221 N -5.87 4.76 0.09 3.07 1.04 -1.26 -0.76 113.70 114.77 1bwf s SER 221 Ca -0.13 -2.53 -0.21 0.00 0.48 0.00 0.00 55.95 53.57 1bwf s SER 221 Cb 0.20 -1.70 0.05 0.00 0.10 0.00 0.00 66.02 64.67 1bwf s SER 221 CO 0.81 -0.35 0.51 -0.70 0.98 0.00 0.00 173.24 174.49 1bwf s GLU 222 N 0.40 1.10 -0.35 4.02 2.12 -0.63 -4.73 118.70 120.63 1bwf s GLU 222 Ca 0.13 -0.40 -0.24 0.00 0.36 0.00 0.00 54.97 54.82 1bwf s GLU 222 Cb -0.22 0.50 0.01 0.00 0.26 0.00 0.00 34.13 34.68 1bwf s GLU 222 CO -0.04 -0.43 0.85 0.08 -0.54 0.00 0.00 175.26 175.17 1bwf s VAL 223 N -3.09 4.69 -0.49 3.70 1.01 -1.26 -3.75 120.40 121.21 1bwf s VAL 223 Ca -0.02 1.10 0.22 0.00 0.00 0.00 0.00 61.98 63.29 1bwf s VAL 223 Cb -0.00 -4.24 -0.18 0.00 0.00 0.00 0.00 36.38 31.95 1bwf s VAL 223 CO -0.07 -0.42 0.86 -1.22 0.00 0.00 0.00 175.10 174.25 1bwf n TYR 224 N 6.50 0.21 -2.32 5.22 4.01 0.68 -5.00 117.16 126.46 1bwf n TYR 224 Ca 0.05 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1bwf n TYR 224 Cb 0.48 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1bwf n TYR 224 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bwf n GLY 225 N 1.35 -0.07 3.09 2.72 0.00 -1.25 -4.90 105.19 106.12 1bwf n GLY 225 Ca 0.01 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 1bwf n GLY 225 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bwf s GLN 226 N -2.00 0.61 -0.11 1.61 -0.21 -1.26 -2.32 119.66 115.98 1bwf s GLN 226 Ca 0.00 -1.07 -0.01 0.00 0.02 0.00 0.00 55.36 54.30 1bwf s GLN 226 Cb 0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 33.01 33.96 1bwf s GLN 226 CO 0.00 -0.04 -0.08 0.99 -2.12 0.00 0.00 175.29 174.04 1bwf s THR 227 N -2.96 3.56 -0.71 -0.19 2.01 1.37 -4.69 115.64 114.03 1bwf s THR 227 Ca 0.02 -0.50 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 1bwf s THR 227 Cb 0.01 -2.50 0.10 0.00 0.01 0.00 0.00 72.50 70.12 1bwf s THR 227 CO -0.05 0.55 0.92 0.21 -0.69 0.00 0.00 174.62 175.56 1bwf s ASN 228 N -0.13 6.30 -0.13 3.53 3.84 -1.26 0.17 114.94 127.25 1bwf s ASN 228 Ca 0.01 -1.43 -0.14 0.00 0.21 0.00 0.00 52.86 51.52 1bwf s ASN 228 Cb -0.13 -2.37 -0.11 0.00 -0.55 0.00 0.00 41.25 38.08 1bwf s ASN 228 CO 0.03 -1.23 0.27 -0.29 -2.79 0.00 0.00 177.10 173.09 1bwf h ILE 229 N 5.89 0.72 -0.81 -5.21 6.09 -1.93 -3.49 117.51 118.78 1bwf h ILE 229 Ca -0.17 -1.60 0.00 0.00 -1.37 0.00 0.00 64.86 61.72 1bwf h ILE 229 Cb 1.06 1.42 0.00 0.00 0.47 0.00 0.00 36.82 39.77 1bwf h ILE 229 CO 1.13 0.25 0.00 0.61 -3.07 0.00 0.00 178.15 177.06 1bwf n GLY 230 N 1.66 0.00 0.85 8.18 0.00 -1.26 -5.01 105.19 109.61 1bwf n GLY 230 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bwf n GLY 230 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bwf n THR 235 N -2.00 -1.01 -1.70 2.61 -1.04 -1.26 -4.65 114.28 105.23 1bwf n THR 235 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1bwf n THR 235 Cb 0.21 -2.21 -0.03 0.00 -1.82 0.00 0.00 70.33 66.48 1bwf n THR 235 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1bwf s ARG 236 N -1.36 3.29 0.15 -2.82 3.00 -1.26 -4.75 118.95 115.20 1bwf s ARG 236 Ca 0.00 1.96 0.04 0.00 0.00 0.00 0.00 55.73 57.73 1bwf s ARG 236 Cb 0.00 -4.31 -0.04 0.00 0.00 0.00 0.00 34.95 30.60 1bwf s ARG 236 CO 0.00 -1.92 0.18 0.42 0.00 0.00 0.00 175.30 173.98 1bwf s ILE 237 N 7.57 4.79 0.40 1.52 -1.09 0.44 -4.77 121.20 130.06 1bwf s ILE 237 Ca 0.94 -0.91 0.07 0.00 -2.23 0.00 0.00 60.65 58.53 1bwf s ILE 237 Cb -0.32 -3.44 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1bwf s ILE 237 CO 0.35 -0.08 0.55 -2.16 -1.23 0.00 0.00 174.94 172.37 1bwf s PRO 238 N -3.08 2.91 -0.26 2.79 0.04 -1.25 0.41 135.00 136.56 1bwf s PRO 238 Ca 0.32 -1.15 -0.01 0.00 0.04 0.00 0.00 61.00 60.20 1bwf s PRO 238 Cb -0.11 -2.77 0.08 0.00 0.04 0.00 0.00 34.50 31.74 1bwf s PRO 238 CO 0.25 -0.18 0.05 0.42 0.04 0.00 0.00 177.00 177.58 1bwf s ILE 239 N -2.31 0.90 -0.12 0.56 1.01 -0.98 0.24 121.20 120.51 1bwf s ILE 239 Ca 0.52 -1.13 0.16 0.00 0.00 0.00 0.00 60.65 60.20 1bwf s ILE 239 Cb -0.10 -1.51 0.27 0.00 0.01 0.00 0.00 42.46 41.13 1bwf s ILE 239 CO 0.33 -0.43 1.14 -1.54 0.00 0.00 0.00 174.94 174.43 1bwf n SER 240 N 4.87 1.91 -3.86 3.58 3.41 -1.01 -0.23 113.62 122.28 1bwf n SER 240 Ca -0.06 -3.03 -0.11 0.00 -0.26 0.00 0.00 58.87 55.41 1bwf n SER 240 Cb 0.44 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 1bwf n SER 240 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1bwf s GLY 241 N -2.65 -0.00 -0.20 5.00 0.00 -1.25 -1.60 107.32 106.61 1bwf s GLY 241 Ca 0.29 0.06 -0.20 0.00 0.00 0.00 0.00 44.72 44.86 1bwf s GLY 241 CO 0.01 -0.03 0.57 -0.42 0.00 0.00 0.00 173.10 173.23 1bwf s ILE 242 N -0.68 0.00 -0.06 0.90 1.01 0.06 -1.90 121.20 120.54 1bwf s ILE 242 Ca -0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 1bwf s ILE 242 Cb -0.05 -0.80 0.11 0.00 0.01 0.00 0.00 42.46 41.73 1bwf s ILE 242 CO 0.01 -0.01 0.96 0.00 0.00 0.00 0.00 174.94 175.90 1bwf s ALA 243 N 0.15 -1.88 0.23 9.38 0.00 -0.94 -4.56 121.76 124.15 1bwf s ALA 243 Ca -0.01 1.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 1bwf s ALA 243 Cb -0.04 0.14 -0.08 0.00 0.00 0.00 0.00 23.12 23.14 1bwf s ALA 243 CO 0.01 -0.61 0.71 0.20 0.00 0.00 0.00 175.76 176.07 1bwf s GLY 244 N -2.21 2.54 0.01 0.00 0.00 -1.26 -2.43 107.32 103.98 1bwf s GLY 244 Ca 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.85 1bwf s GLY 244 CO -0.07 0.43 0.61 2.09 0.00 0.00 0.00 173.10 176.16 1bwf n ASP 245 N 0.53 -0.09 -0.24 1.64 5.68 0.75 0.01 116.55 124.82 1bwf n ASP 245 Ca -0.02 0.63 0.01 0.00 -0.50 0.00 0.00 54.79 54.91 1bwf n ASP 245 Cb 0.51 -0.26 0.14 0.00 -1.14 0.00 0.00 41.12 40.37 1bwf n ASP 245 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1bwf h GLN 246 N 0.00 0.55 -0.56 0.11 7.50 -1.93 2.39 115.11 123.17 1bwf h GLN 246 Ca 0.01 -0.03 -0.05 0.00 0.50 0.00 0.00 58.65 59.08 1bwf h GLN 246 Cb 0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.42 1bwf h GLN 246 CO -0.08 0.36 0.15 1.96 -1.50 0.00 0.00 178.83 179.72 1bwf h GLN 247 N 0.57 0.89 -0.67 1.46 7.50 -1.46 0.91 115.11 124.31 1bwf h GLN 247 Ca 0.35 -0.21 0.11 0.00 0.50 0.00 0.00 58.65 59.40 1bwf h GLN 247 Cb 0.38 -0.12 -0.08 0.00 0.05 0.00 0.00 27.48 27.71 1bwf h GLN 247 CO -0.28 0.83 0.25 0.00 -1.50 0.00 0.00 178.83 178.13 1bwf h ALA 248 N 1.03 0.88 -0.53 3.87 0.00 0.15 -0.95 119.26 123.72 1bwf h ALA 248 Ca 0.18 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1bwf h ALA 248 Cb 0.33 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1bwf h ALA 248 CO 0.00 -0.20 0.23 0.00 0.00 0.00 0.00 179.25 179.29 1bwf h ALA 249 N 1.47 0.68 -0.86 0.00 0.00 0.70 -3.02 119.26 118.23 1bwf h ALA 249 Ca 0.35 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.32 1bwf h ALA 249 Cb 0.47 -0.21 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 1bwf h ALA 249 CO -0.35 0.26 0.33 1.25 0.00 0.00 0.00 179.25 180.75 1bwf h LEU 250 N 0.71 0.23 0.50 0.00 5.85 0.20 -2.29 115.31 120.51 1bwf h LEU 250 Ca 0.18 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 1bwf h LEU 250 Cb 0.15 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1bwf h LEU 250 CO -0.02 -0.01 -0.24 0.15 -0.34 0.00 0.00 178.44 177.98 1bwf h PHE 251 N 0.36 -0.62 -0.61 1.25 3.57 -1.35 0.44 116.94 119.98 1bwf h PHE 251 Ca 0.52 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.18 1bwf h PHE 251 Cb 0.96 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1bwf h PHE 251 CO -0.18 -0.34 0.55 0.78 -2.23 0.00 0.00 178.31 176.89 1bwf h GLY 252 N -0.76 0.00 0.72 2.40 0.00 -1.31 1.51 103.07 105.63 1bwf h GLY 252 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1bwf h GLY 252 CO 0.11 0.00 -0.20 -0.18 0.00 0.00 0.00 176.54 176.27 1bwf n GLN 253 N -3.91 0.63 -3.31 4.80 -0.06 -0.96 -4.86 117.38 109.71 1bwf n GLN 253 Ca 0.12 -0.29 -0.23 0.00 -2.00 0.00 0.00 57.00 54.60 1bwf n GLN 253 Cb 0.78 -1.49 0.06 0.00 -4.06 0.00 0.00 30.24 25.53 1bwf n GLN 253 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1bwf n LEU 254 N -0.93 -3.05 -2.71 1.69 4.32 0.51 -4.83 117.00 112.00 1bwf n LEU 254 Ca 0.12 -0.41 -0.30 0.00 -0.02 0.00 0.00 56.01 55.40 1bwf n LEU 254 Cb 0.31 -2.99 -0.04 0.00 -1.62 0.00 0.00 43.42 39.09 1bwf n LEU 254 CO 0.26 0.45 1.71 0.00 -1.22 0.00 0.00 177.39 178.59 1bwf n VAL 256 N 0.91 0.00 -3.84 0.00 0.31 -1.26 -4.56 118.33 109.88 1bwf n VAL 256 Ca 0.51 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.73 1bwf n VAL 256 Cb 0.47 -0.15 -0.09 0.00 -0.91 0.00 0.00 33.84 33.16 1bwf n VAL 256 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1bwf s LYS 257 N -1.72 0.56 -0.09 5.55 -2.85 -1.26 -4.37 119.74 115.55 1bwf s LYS 257 Ca 0.00 -0.39 -0.08 0.00 -1.00 0.00 0.00 55.97 54.49 1bwf s LYS 257 Cb 0.00 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 1bwf s LYS 257 CO 0.00 -0.14 0.33 0.39 0.10 0.00 0.00 175.35 176.03 1bwf n GLU 258 N 1.29 0.00 -0.30 1.78 1.02 -1.26 -2.08 120.64 121.09 1bwf n GLU 258 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1bwf n GLU 258 Cb 0.56 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 1bwf n GLU 258 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bwf n GLY 259 N 0.99 0.69 3.67 0.62 0.00 0.52 -4.98 105.19 106.70 1bwf n GLY 259 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1bwf n GLY 259 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bwf s MET 260 N -0.70 4.20 0.12 1.61 -1.94 -0.88 -4.85 119.30 116.86 1bwf s MET 260 Ca 0.00 0.34 0.05 0.00 -1.71 0.00 0.00 55.69 54.37 1bwf s MET 260 Cb 0.00 -3.54 -0.04 0.00 2.01 0.00 0.00 34.83 33.26 1bwf s MET 260 CO 0.00 -0.07 -0.12 0.00 -0.01 0.00 0.00 175.02 174.81 1bwf s ALA 261 N 1.40 1.36 0.05 3.03 0.00 -1.26 -0.31 121.76 126.02 1bwf s ALA 261 Ca 0.23 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1bwf s ALA 261 Cb -0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1bwf s ALA 261 CO 0.09 0.04 -0.01 -1.59 0.00 0.00 0.00 175.76 174.29 1bwf s LYS 262 N -2.78 0.58 -0.06 0.00 0.00 -0.45 -3.91 119.74 113.12 1bwf s LYS 262 Ca 0.08 -1.08 0.06 0.00 0.00 0.00 0.00 55.97 55.03 1bwf s LYS 262 Cb -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 37.83 37.99 1bwf s LYS 262 CO 0.02 -0.11 -0.25 1.21 0.00 0.00 0.00 175.35 176.22 1bwf s ASN 263 N -2.65 3.05 0.04 0.03 2.47 0.55 -1.38 114.94 117.04 1bwf s ASN 263 Ca 0.03 -0.51 0.02 0.00 0.42 0.00 0.00 52.86 52.81 1bwf s ASN 263 Cb 0.05 -0.92 -0.04 0.00 -1.45 0.00 0.00 41.25 38.89 1bwf s ASN 263 CO -0.08 0.23 0.07 -0.89 -3.72 0.00 0.00 177.10 172.70 1bwf s THR 264 N -0.09 4.55 -0.28 -5.21 2.01 -0.93 -1.18 115.64 114.52 1bwf s THR 264 Ca -0.06 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1bwf s THR 264 Cb -0.14 -3.13 0.08 0.00 0.01 0.00 0.00 72.50 69.32 1bwf s THR 264 CO 0.04 0.25 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.90 1bwf s TYR 265 N -1.27 2.80 0.00 4.92 1.51 0.79 -2.80 117.35 123.29 1bwf s TYR 265 Ca 0.25 -2.19 0.00 0.00 -1.01 0.00 0.00 57.07 54.13 1bwf s TYR 265 Cb -0.12 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 1bwf s TYR 265 CO 0.17 -0.86 0.00 0.41 -1.11 0.00 0.00 175.55 174.17 1bwf n GLY 266 N 4.55 4.48 0.28 0.71 0.00 -1.26 -2.74 105.19 111.21 1bwf n GLY 266 Ca -0.06 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.57 1bwf n GLY 266 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bwf h THR 267 N 0.00 0.53 -1.77 2.61 2.02 -1.93 0.87 112.91 115.24 1bwf h THR 267 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1bwf h THR 267 Cb 0.00 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1bwf h THR 267 CO 0.00 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1bwf n GLY 268 N -1.35 6.28 2.85 2.16 0.00 -1.25 0.73 105.19 114.61 1bwf n GLY 268 Ca 0.16 -1.82 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 1bwf n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwf s PHE 270 N 1.13 0.32 -0.32 0.00 0.40 -1.12 0.72 117.98 119.11 1bwf s PHE 270 Ca -0.08 -0.51 -0.20 0.00 -0.60 0.00 0.00 56.93 55.54 1bwf s PHE 270 Cb -0.14 -0.79 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 1bwf s PHE 270 CO -0.01 -0.60 0.60 1.41 0.70 0.00 0.00 175.22 177.32 1bwf s MET 271 N 2.10 3.83 0.19 0.44 1.75 -0.57 -2.18 119.30 124.85 1bwf s MET 271 Ca 0.03 0.17 0.10 0.00 -1.25 0.00 0.00 55.69 54.74 1bwf s MET 271 Cb -0.16 -3.75 -0.04 0.00 2.84 0.00 0.00 34.83 33.72 1bwf s MET 271 CO -0.15 -0.59 -0.20 -0.51 -0.65 0.00 0.00 175.02 172.92 1bwf s LEU 272 N 2.55 2.46 -0.08 4.11 1.02 -0.48 -1.11 118.68 127.15 1bwf s LEU 272 Ca 0.23 -0.89 -0.03 0.00 0.02 0.00 0.00 54.13 53.46 1bwf s LEU 272 Cb -0.15 -0.94 0.05 0.00 0.02 0.00 0.00 46.19 45.17 1bwf s LEU 272 CO 0.12 0.01 0.16 -0.32 0.02 0.00 0.00 176.35 176.34 1bwf s MET 273 N -2.87 0.04 0.16 1.70 -2.45 -0.20 -1.34 119.30 114.34 1bwf s MET 273 Ca 0.19 0.53 -0.32 0.00 -1.25 0.00 0.00 55.69 54.84 1bwf s MET 273 Cb -0.06 -0.25 -0.10 0.00 1.25 0.00 0.00 34.83 35.67 1bwf s MET 273 CO 0.08 -0.28 1.57 1.21 1.05 0.00 0.00 175.02 178.65 1bwf s ASN 274 N 2.10 6.59 0.00 1.11 3.84 0.57 -0.47 114.94 128.68 1bwf s ASN 274 Ca 0.01 2.60 0.21 0.00 0.21 0.00 0.00 52.86 55.89 1bwf s ASN 274 Cb -0.12 -2.59 0.57 0.00 -0.55 0.00 0.00 41.25 38.56 1bwf s ASN 274 CO -0.06 -0.82 1.48 0.35 -2.79 0.00 0.00 177.10 175.26 1bwf n THR 275 N 4.01 0.92 -4.63 -5.21 -2.24 0.87 -0.35 114.28 107.65 1bwf n THR 275 Ca 0.14 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1bwf n THR 275 Cb 0.39 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1bwf n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwf n GLY 276 N 1.49 1.09 0.21 3.38 0.00 -1.15 -3.39 105.19 106.82 1bwf n GLY 276 Ca 0.22 -0.71 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1bwf n GLY 276 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bwf h GLU 277 N 0.00 0.00 -5.87 1.61 4.39 -1.88 1.36 114.58 114.19 1bwf h GLU 277 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 1bwf h GLU 277 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 1bwf h GLU 277 CO 0.00 0.29 -0.54 -1.59 -1.16 0.00 0.00 179.01 176.01 1bwf s LYS 278 N -4.08 3.24 -0.44 2.33 -2.85 -1.22 -4.79 119.74 111.94 1bwf s LYS 278 Ca -0.02 -0.36 -0.16 0.00 -1.00 0.00 0.00 55.97 54.43 1bwf s LYS 278 Cb 0.13 -2.99 0.04 0.00 -2.06 0.00 0.00 37.83 32.95 1bwf s LYS 278 CO 0.67 0.69 0.37 0.00 0.10 0.00 0.00 175.35 177.18 1bwf s ALA 279 N -1.17 3.49 0.46 0.59 0.00 -1.26 -4.68 121.76 119.19 1bwf s ALA 279 Ca 0.22 -1.80 -0.21 0.00 0.00 0.00 0.00 51.96 50.17 1bwf s ALA 279 Cb -0.12 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 1bwf s ALA 279 CO 0.12 -1.60 1.03 0.08 0.00 0.00 0.00 175.76 175.40 1bwf s VAL 280 N 1.81 3.83 -0.21 0.00 1.01 -1.26 -5.03 120.40 120.55 1bwf s VAL 280 Ca 0.07 1.20 -0.05 0.00 0.00 0.00 0.00 61.98 63.19 1bwf s VAL 280 Cb -0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1bwf s VAL 280 CO 0.10 -0.19 0.01 -1.59 0.00 0.00 0.00 175.10 173.43 1bwf s LYS 281 N -3.05 3.62 0.44 2.72 0.00 -1.26 -4.74 119.74 117.47 1bwf s LYS 281 Ca 0.65 -0.51 -0.25 0.00 0.00 0.00 0.00 55.97 55.85 1bwf s LYS 281 Cb -0.17 -3.11 -0.08 0.00 0.00 0.00 0.00 37.83 34.47 1bwf s LYS 281 CO 0.21 -0.01 1.39 0.45 0.00 0.00 0.00 175.35 177.39 1bwf s SER 282 N 1.08 5.99 0.00 0.03 0.15 -1.26 -4.86 113.70 114.83 1bwf s SER 282 Ca 0.02 2.85 0.00 0.00 0.70 0.00 0.00 55.95 59.52 1bwf s SER 282 Cb -0.14 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1bwf s SER 282 CO 0.02 -1.09 0.13 -0.62 1.20 0.00 0.00 173.24 172.88 1bwf n GLU 283 N -0.12 4.11 -2.61 5.44 -0.58 -1.26 -4.80 120.64 120.82 1bwf n GLU 283 Ca 0.05 -0.13 -0.10 0.00 -0.42 0.00 0.00 57.16 56.55 1bwf n GLU 283 Cb 0.42 -0.60 0.03 0.00 -0.57 0.00 0.00 31.44 30.73 1bwf n GLU 283 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1bwf n ASN 284 N -0.62 2.44 -0.37 1.62 4.13 -1.26 -4.98 115.26 116.21 1bwf n ASN 284 Ca 0.00 -2.74 -0.05 0.00 1.68 0.00 0.00 54.58 53.47 1bwf n ASN 284 Cb 0.01 -0.47 -0.02 0.00 -1.54 0.00 0.00 39.78 37.75 1bwf n ASN 284 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bwf n GLY 285 N -0.41 0.74 4.03 7.41 0.00 -1.26 -4.82 105.19 110.88 1bwf n GLY 285 Ca 0.17 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1bwf n GLY 285 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwf s LEU 286 N -1.10 3.02 0.08 0.99 1.43 -1.26 -4.48 118.68 117.35 1bwf s LEU 286 Ca 0.00 -0.78 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1bwf s LEU 286 Cb 0.00 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1bwf s LEU 286 CO 0.00 -1.54 -0.25 -0.76 0.23 0.00 0.00 176.35 174.03 1bwf s LEU 287 N -4.82 2.24 -0.23 1.79 1.43 0.29 -4.71 118.68 114.66 1bwf s LEU 287 Ca 0.64 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1bwf s LEU 287 Cb -0.05 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1bwf s LEU 287 CO 0.41 0.18 0.02 -0.89 0.23 0.00 0.00 176.35 176.31 1bwf s THR 288 N -0.94 3.95 0.30 5.49 2.01 -1.11 0.60 115.64 125.93 1bwf s THR 288 Ca 0.11 -0.30 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1bwf s THR 288 Cb -0.10 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1bwf s THR 288 CO 0.04 0.38 0.22 0.28 -0.69 0.00 0.00 174.62 174.84 1bwf s THR 289 N 1.51 0.07 0.07 -0.82 -1.32 -0.75 -4.38 115.64 110.03 1bwf s THR 289 Ca 0.06 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.31 1bwf s THR 289 Cb -0.15 -2.49 -0.06 0.00 -1.51 0.00 0.00 72.50 68.28 1bwf s THR 289 CO 0.01 0.00 0.67 -0.63 -2.21 0.00 0.00 174.62 172.46 1bwf s ILE 290 N -3.64 4.68 0.00 5.08 1.09 -1.26 -0.20 121.20 126.95 1bwf s ILE 290 Ca 0.39 1.44 0.00 0.00 -1.10 0.00 0.00 60.65 61.38 1bwf s ILE 290 Cb 0.04 -4.02 0.00 0.00 -1.06 0.00 0.00 42.46 37.42 1bwf s ILE 290 CO 0.22 0.47 0.00 0.00 -0.10 0.00 0.00 174.94 175.53 1bwf n ALA 291 N 2.18 0.00 -3.09 9.38 0.00 0.18 -4.72 120.51 124.44 1bwf n ALA 291 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1bwf n ALA 291 Cb 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.78 1bwf n ALA 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwf s GLY 293 N 0.21 1.70 0.46 0.00 0.00 1.01 -4.69 107.32 106.02 1bwf s GLY 293 Ca -0.14 -1.05 0.31 0.00 0.00 0.00 0.00 44.72 43.84 1bwf s GLY 293 CO 0.07 -0.27 1.94 -2.55 0.00 0.00 0.00 173.10 172.29 1bwf h PRO 294 N -1.92 0.00 -0.43 2.90 0.11 -1.83 -2.68 132.00 128.14 1bwf h PRO 294 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1bwf h PRO 294 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1bwf h PRO 294 CO 0.39 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.43 1bwf n THR 295 N -2.76 0.80 -0.35 -1.15 -2.24 -1.26 -4.86 114.28 102.46 1bwf n THR 295 Ca 0.00 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1bwf n THR 295 Cb 0.22 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1bwf n THR 295 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwf n GLY 296 N 1.05 0.83 3.90 3.38 0.00 -1.01 -4.94 105.19 108.39 1bwf n GLY 296 Ca 0.16 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1bwf n GLY 296 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bwf s GLU 297 N -0.65 3.64 0.00 1.61 1.03 -1.26 -4.25 118.70 118.82 1bwf s GLU 297 Ca 0.00 0.06 -0.35 0.00 0.03 0.00 0.00 54.97 54.71 1bwf s GLU 297 Cb 0.00 -2.60 -0.14 0.00 -0.80 0.00 0.00 34.13 30.60 1bwf s GLU 297 CO 0.00 0.15 1.67 0.28 -1.33 0.00 0.00 175.26 176.03 1bwf n VAL 298 N -1.12 0.25 -4.53 1.83 0.31 -1.26 0.33 118.33 114.13 1bwf n VAL 298 Ca -0.01 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 64.01 1bwf n VAL 298 Cb 0.54 -1.50 -0.08 0.00 -0.91 0.00 0.00 33.84 31.89 1bwf n VAL 298 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1bwf s ASN 299 N 2.30 2.92 0.14 4.52 -0.87 -0.82 -4.55 114.94 118.58 1bwf s ASN 299 Ca 0.87 -1.71 0.08 0.00 -1.57 0.00 0.00 52.86 50.53 1bwf s ASN 299 Cb -0.78 0.56 -0.04 0.00 -0.02 0.00 0.00 41.25 40.98 1bwf s ASN 299 CO 0.48 -0.96 -0.18 -0.31 -2.57 0.00 0.00 177.10 173.55 1bwf s TYR 300 N -3.17 1.71 0.18 2.20 2.02 0.47 0.50 117.35 121.26 1bwf s TYR 300 Ca 0.22 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1bwf s TYR 300 Cb 0.02 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.65 1bwf s TYR 300 CO 0.14 0.25 0.09 0.00 -1.57 0.00 0.00 175.55 174.47 1bwf s ALA 301 N -1.77 1.16 -0.29 3.71 0.00 0.72 0.30 121.76 125.58 1bwf s ALA 301 Ca 0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 1bwf s ALA 301 Cb -0.07 1.12 0.05 0.00 0.00 0.00 0.00 23.12 24.23 1bwf s ALA 301 CO 0.05 -0.52 -0.02 -0.51 0.00 0.00 0.00 175.76 174.76 1bwf s LEU 302 N -3.15 3.81 -0.12 0.00 1.43 0.38 -1.80 118.68 119.23 1bwf s LEU 302 Ca 0.33 -1.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1bwf s LEU 302 Cb 0.07 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 1bwf s LEU 302 CO 0.08 -0.25 -0.20 -0.70 0.23 0.00 0.00 176.35 175.52 1bwf s GLU 303 N 1.22 3.15 -0.26 1.70 2.12 0.20 -1.03 118.70 125.80 1bwf s GLU 303 Ca -0.06 -0.81 -0.10 0.00 0.36 0.00 0.00 54.97 54.35 1bwf s GLU 303 Cb -0.20 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 1bwf s GLU 303 CO -0.02 0.15 0.16 0.20 -0.54 0.00 0.00 175.26 175.22 1bwf s GLY 304 N 0.43 1.93 -0.23 -1.50 0.00 -0.27 -0.55 107.32 107.13 1bwf s GLY 304 Ca -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 43.52 1bwf s GLY 304 CO 0.06 0.52 -0.02 0.00 0.00 0.00 0.00 173.10 173.66 1bwf s ALA 305 N 1.44 2.86 -0.23 3.20 0.00 -1.26 -1.52 121.76 126.26 1bwf s ALA 305 Ca 0.07 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 1bwf s ALA 305 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 1bwf s ALA 305 CO 0.07 -0.50 0.05 0.08 0.00 0.00 0.00 175.76 175.47 1bwf s VAL 306 N 1.48 4.32 0.07 0.00 1.01 0.22 -2.35 120.40 125.16 1bwf s VAL 306 Ca 0.05 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1bwf s VAL 306 Cb -0.15 -2.99 -0.11 0.00 0.00 0.00 0.00 36.38 33.13 1bwf s VAL 306 CO -0.02 0.38 1.40 -0.26 0.00 0.00 0.00 175.10 176.60 1bwf h PHE 307 N 7.81 0.55 -3.41 5.22 0.04 -1.85 0.86 116.94 126.15 1bwf h PHE 307 Ca -0.37 -0.15 -0.65 0.00 2.80 0.00 0.00 57.97 59.60 1bwf h PHE 307 Cb 1.18 -0.12 -0.25 0.00 2.20 0.00 0.00 35.95 38.96 1bwf h PHE 307 CO 0.64 0.78 -0.69 -1.64 -0.60 0.00 0.00 178.31 176.79 1bwf s MET 308 N -4.47 3.52 0.00 1.51 -1.94 -1.26 -3.87 119.30 112.79 1bwf s MET 308 Ca -0.14 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 1bwf s MET 308 Cb 0.07 -3.01 0.00 0.00 2.01 0.00 0.00 34.83 33.90 1bwf s MET 308 CO 0.77 -0.03 0.00 0.00 -0.01 0.00 0.00 175.02 175.75 1bwf n ALA 309 N 4.33 0.80 0.06 3.03 0.00 0.22 -4.74 120.51 124.21 1bwf n ALA 309 Ca -0.18 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.45 1bwf n ALA 309 Cb 0.52 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.66 1bwf n ALA 309 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bwf h GLY 310 N 0.00 0.00 0.45 0.00 0.00 0.86 0.23 103.07 104.61 1bwf h GLY 310 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 1bwf h GLY 310 CO 0.00 0.00 0.21 0.00 0.00 0.00 0.00 176.54 176.75 1bwf h ALA 311 N 1.77 0.72 -0.07 3.60 0.00 -1.65 0.99 119.26 124.61 1bwf h ALA 311 Ca 0.20 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1bwf h ALA 311 Cb 0.81 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1bwf h ALA 311 CO -0.00 -0.19 0.06 0.66 0.00 0.00 0.00 179.25 179.77 1bwf h SER 312 N 0.40 0.00 -0.07 0.00 4.64 -1.21 -0.81 113.55 116.49 1bwf h SER 312 Ca 0.28 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1bwf h SER 312 Cb 0.33 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1bwf h SER 312 CO -0.28 0.00 -0.52 0.40 -0.87 0.00 0.00 176.83 175.56 1bwf h ILE 313 N 0.00 1.39 -0.81 0.95 5.03 0.93 -2.27 117.51 122.73 1bwf h ILE 313 Ca 0.03 -1.89 0.08 0.00 -0.12 0.00 0.00 64.86 62.97 1bwf h ILE 313 Cb 0.14 2.31 -0.06 0.00 -3.03 0.00 0.00 36.82 36.19 1bwf h ILE 313 CO -0.00 0.56 0.53 1.56 -0.68 0.00 0.00 178.15 180.12 1bwf h GLN 314 N 0.04 0.78 -0.67 2.37 4.20 0.44 0.68 115.11 122.96 1bwf h GLN 314 Ca -0.04 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.76 1bwf h GLN 314 Cb 1.18 -0.18 -0.11 0.00 0.30 0.00 0.00 27.48 28.67 1bwf h GLN 314 CO 0.11 0.52 0.04 2.35 -0.67 0.00 0.00 178.83 181.18 1bwf h TRP 315 N 0.81 0.03 -0.44 2.96 7.01 -1.22 3.28 115.95 128.38 1bwf h TRP 315 Ca 0.37 0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.41 1bwf h TRP 315 Cb 0.36 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 1bwf h TRP 315 CO -0.00 -0.16 0.27 -0.07 -2.79 0.00 0.00 178.44 175.69 1bwf h LEU 316 N 0.15 0.52 0.16 0.65 3.38 -0.30 0.58 115.31 120.45 1bwf h LEU 316 Ca 0.36 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1bwf h LEU 316 Cb 0.60 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1bwf h LEU 316 CO -0.54 0.42 -0.08 -0.09 0.09 0.00 0.00 178.44 178.24 1bwf h ARG 317 N 0.58 -0.21 0.00 1.13 2.43 0.63 0.75 114.38 119.70 1bwf h ARG 317 Ca 0.16 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1bwf h ARG 317 Cb -0.01 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1bwf h ARG 317 CO -0.03 0.22 -1.20 -0.44 -1.51 0.00 0.00 179.97 177.01 1bwf h ASP 318 N -0.77 0.00 0.00 -3.80 3.32 0.59 -3.23 116.42 112.53 1bwf h ASP 318 Ca -0.02 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.81 1bwf h ASP 318 Cb 0.52 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1bwf h ASP 318 CO 0.04 0.31 -1.64 -0.62 -1.72 0.00 0.00 179.24 175.60 1bwf n GLU 319 N -2.80 0.42 -0.05 3.56 4.71 0.18 -4.53 120.64 122.14 1bwf n GLU 319 Ca -0.05 0.18 -0.09 0.00 -0.01 0.00 0.00 57.16 57.19 1bwf n GLU 319 Cb 0.70 -1.21 0.07 0.00 -1.01 0.00 0.00 31.44 29.99 1bwf n GLU 319 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 1bwf h MET 320 N -0.74 0.68 -4.38 3.49 2.86 -1.06 -3.48 114.93 112.32 1bwf h MET 320 Ca -0.34 -0.34 -0.35 0.00 -2.06 0.00 0.00 59.70 56.61 1bwf h MET 320 Cb 1.20 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.94 1bwf h MET 320 CO -0.20 0.95 -0.55 1.63 1.06 0.00 0.00 176.91 179.79 1bwf n LYS 321 N -4.05 -5.20 0.20 1.72 5.02 0.24 -4.92 118.16 111.17 1bwf n LYS 321 Ca -0.02 0.77 0.14 0.00 -2.02 0.00 0.00 58.31 57.19 1bwf n LYS 321 Cb 0.51 -5.43 0.54 0.00 -0.02 0.00 0.00 35.03 30.63 1bwf n LYS 321 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1bwf h LEU 322 N -1.61 0.00 -8.71 -0.35 3.38 -1.07 -3.45 115.31 103.49 1bwf h LEU 322 Ca -0.48 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.16 1bwf h LEU 322 Cb 1.32 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 1bwf h LEU 322 CO 0.49 0.00 -0.54 0.27 0.09 0.00 0.00 178.44 178.75 1bwf s ILE 323 N -3.43 0.00 -0.04 1.22 -4.36 -1.25 -5.04 121.20 108.29 1bwf s ILE 323 Ca 0.04 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1bwf s ILE 323 Cb 0.09 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 1bwf s ILE 323 CO 0.50 0.00 0.05 0.59 0.24 0.00 0.00 174.94 176.32 1bwf n ASN 324 N -0.85 1.68 -3.76 4.36 3.02 -1.26 -4.44 115.26 114.01 1bwf n ASN 324 Ca 0.04 -0.35 -0.19 0.00 -0.03 0.00 0.00 54.58 54.06 1bwf n ASN 324 Cb 0.64 1.02 -0.17 0.00 -0.61 0.00 0.00 39.78 40.67 1bwf n ASN 324 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1bwf s ASP 325 N -1.49 0.83 0.27 6.41 1.11 -1.26 -4.97 116.67 117.58 1bwf s ASP 325 Ca 0.00 -0.00 -0.00 0.00 0.18 0.00 0.00 52.55 52.73 1bwf s ASP 325 Cb 0.01 -0.23 0.63 0.00 1.07 0.00 0.00 42.92 44.40 1bwf s ASP 325 CO 0.06 -0.16 1.67 0.00 1.18 0.00 0.00 175.17 177.91 1bwf h ALA 326 N 7.81 1.19 -0.55 5.23 0.00 -1.94 0.55 119.26 131.55 1bwf h ALA 326 Ca -0.30 0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1bwf h ALA 326 Cb 1.13 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 1bwf h ALA 326 CO 0.34 -0.40 -0.32 0.98 0.00 0.00 0.00 179.25 179.85 1bwf n TYR 327 N -5.17 -0.23 0.21 0.00 9.36 -1.26 -1.17 117.16 118.89 1bwf n TYR 327 Ca 0.19 0.68 0.18 0.00 3.32 0.00 0.00 57.90 62.28 1bwf n TYR 327 Cb 0.60 -0.55 0.83 0.00 -0.63 0.00 0.00 39.34 39.60 1bwf n TYR 327 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1bwf h ASP 328 N 0.00 0.00 -0.71 2.98 3.32 -0.28 -3.24 116.42 118.49 1bwf h ASP 328 Ca 0.09 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.30 1bwf h ASP 328 Cb 0.23 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.66 1bwf h ASP 328 CO -0.52 0.00 0.07 0.77 -1.72 0.00 0.00 179.24 177.85 1bwf h SER 329 N 0.00 -0.19 -0.24 6.45 4.64 -1.18 -2.31 113.55 120.72 1bwf h SER 329 Ca 0.09 0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.63 1bwf h SER 329 Cb 0.68 0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 62.96 1bwf h SER 329 CO -0.00 -0.11 -0.42 -0.08 -0.87 0.00 0.00 176.83 175.35 1bwf h GLU 330 N 0.17 -0.40 -0.18 4.77 4.81 -1.78 0.53 114.58 122.50 1bwf h GLU 330 Ca 0.39 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.70 1bwf h GLU 330 Cb 0.67 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 1bwf h GLU 330 CO -0.57 -0.27 -0.31 -0.92 -0.73 0.00 0.00 179.01 176.22 1bwf h TYR 331 N -0.42 -0.84 -0.75 0.92 3.20 -1.66 0.12 116.97 117.54 1bwf h TYR 331 Ca 0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1bwf h TYR 331 Cb 0.60 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 1bwf h TYR 331 CO -0.53 -0.38 0.48 0.74 -1.64 0.00 0.00 178.16 176.83 1bwf h PHE 332 N -0.35 0.95 -0.14 -3.82 0.04 -1.23 -0.02 116.94 112.36 1bwf h PHE 332 Ca 0.11 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 1bwf h PHE 332 Cb 0.53 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1bwf h PHE 332 CO -0.42 0.61 -0.41 0.00 -0.60 0.00 0.00 178.31 177.49 1bwf h ALA 333 N 1.52 1.05 -0.00 2.45 0.00 0.46 -1.73 119.26 123.00 1bwf h ALA 333 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1bwf h ALA 333 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1bwf h ALA 333 CO -0.06 0.60 -0.11 0.25 0.00 0.00 0.00 179.25 179.94 1bwf n THR 334 N -4.03 0.00 -0.13 0.00 -2.24 0.28 -2.95 114.28 105.20 1bwf n THR 334 Ca -0.01 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.61 1bwf n THR 334 Cb 0.48 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 1bwf n THR 334 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bwf h LYS 335 N 0.59 0.61 -6.97 -0.78 1.79 -0.07 -3.42 116.57 108.31 1bwf h LYS 335 Ca 0.00 -0.12 -0.49 0.00 -2.18 0.00 0.00 60.65 57.85 1bwf h LYS 335 Cb 0.36 -0.09 0.03 0.00 -1.58 0.00 0.00 32.23 30.95 1bwf h LYS 335 CO 0.00 0.60 0.15 0.14 -1.08 0.00 0.00 179.45 179.26 1bwf s VAL 336 N -5.46 4.86 0.11 0.50 -7.23 -1.15 -4.99 120.40 107.04 1bwf s VAL 336 Ca -0.13 0.35 -0.05 0.00 -1.81 0.00 0.00 61.98 60.35 1bwf s VAL 336 Cb 0.10 -3.85 -0.22 0.00 0.56 0.00 0.00 36.38 32.98 1bwf s VAL 336 CO 0.76 -0.84 1.25 -0.61 -0.31 0.00 0.00 175.10 175.35 1bwf h GLN 337 N 0.32 0.37 -3.51 4.82 5.75 -1.83 -3.48 115.11 117.55 1bwf h GLN 337 Ca -0.47 -0.46 -0.11 0.00 -0.15 0.00 0.00 58.65 57.47 1bwf h GLN 337 Cb 1.20 0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.85 1bwf h GLN 337 CO 0.62 1.15 0.04 0.54 -2.65 0.00 0.00 178.83 178.52 1bwf s ASN 338 N -7.12 0.28 0.00 -0.69 2.20 -1.26 -5.02 114.94 103.33 1bwf s ASN 338 Ca -0.05 -1.17 0.19 0.00 -0.94 0.00 0.00 52.86 50.88 1bwf s ASN 338 Cb 0.08 0.73 0.91 0.00 -2.00 0.00 0.00 41.25 40.97 1bwf s ASN 338 CO 0.87 -1.42 1.58 1.07 -2.94 0.00 0.00 177.10 176.26 1bwf n THR 339 N -0.51 0.51 -2.56 0.54 5.66 -1.26 -4.78 114.28 111.88 1bwf n THR 339 Ca -0.03 0.13 -0.21 0.00 -3.05 0.00 0.00 64.05 60.88 1bwf n THR 339 Cb 0.61 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 1bwf n THR 339 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1bwf n ASN 340 N -1.34 -5.87 0.00 1.09 5.15 -1.26 -1.84 115.26 111.18 1bwf n ASN 340 Ca 0.08 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1bwf n ASN 340 Cb 0.17 -4.86 0.00 0.00 -0.53 0.00 0.00 39.78 34.56 1bwf n ASN 340 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bwf n GLY 341 N -1.13 1.85 3.77 8.20 0.00 -1.26 -4.92 105.19 111.70 1bwf n GLY 341 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1bwf n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwf s VAL 342 N -2.59 3.05 -0.03 1.61 1.01 -0.77 -4.58 120.40 118.10 1bwf s VAL 342 Ca 0.00 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1bwf s VAL 342 Cb 0.00 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1bwf s VAL 342 CO 0.00 -0.11 -0.01 -0.31 0.00 0.00 0.00 175.10 174.67 1bwf s TYR 343 N -1.69 0.39 -0.14 5.22 2.02 -0.89 -4.90 117.35 117.37 1bwf s TYR 343 Ca 0.71 -0.04 -0.02 0.00 -0.37 0.00 0.00 57.07 57.35 1bwf s TYR 343 Cb -0.26 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.85 1bwf s TYR 343 CO 0.30 -0.12 -0.08 0.08 -1.57 0.00 0.00 175.55 174.16 1bwf s VAL 344 N 0.83 3.52 -0.29 0.71 1.01 -1.26 -1.40 120.40 123.53 1bwf s VAL 344 Ca -0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1bwf s VAL 344 Cb -0.12 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.80 1bwf s VAL 344 CO -0.01 0.52 -0.01 -0.69 0.00 0.00 0.00 175.10 174.90 1bwf s VAL 345 N 0.23 2.95 -0.69 2.92 1.01 0.29 -4.69 120.40 122.42 1bwf s VAL 345 Ca -0.05 -1.33 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 1bwf s VAL 345 Cb -0.15 -2.66 -0.13 0.00 0.00 0.00 0.00 36.38 33.44 1bwf s VAL 345 CO 0.04 -0.05 2.70 -0.81 0.00 0.00 0.00 175.10 176.98 1bwf n PRO 346 N 4.63 2.27 -1.80 2.72 -0.05 -1.26 -1.01 135.00 140.49 1bwf n PRO 346 Ca -0.14 -1.35 -0.39 0.00 -0.05 0.00 0.00 63.50 61.58 1bwf n PRO 346 Cb 0.44 -2.29 0.05 0.00 -0.05 0.00 0.00 33.50 31.65 1bwf n PRO 346 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bwf n ALA 347 N 3.32 6.49 -0.02 0.55 0.00 -1.26 -4.43 120.51 125.16 1bwf n ALA 347 Ca 0.49 -3.97 0.21 0.00 0.00 0.00 0.00 53.44 50.16 1bwf n ALA 347 Cb 0.42 -1.96 0.69 0.00 0.00 0.00 0.00 19.45 18.60 1bwf n ALA 347 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bwf h PHE 348 N 2.81 0.00 -0.74 0.00 -1.00 -1.86 -1.40 116.94 114.76 1bwf h PHE 348 Ca 0.57 0.00 -0.44 0.00 2.81 0.00 0.00 57.97 60.91 1bwf h PHE 348 Cb 0.18 -0.00 -0.42 0.00 3.61 0.00 0.00 35.95 39.32 1bwf h PHE 348 CO 1.23 0.00 -0.94 0.25 -1.61 0.00 0.00 178.31 177.25 1bwf n THR 349 N -4.37 2.00 -4.41 -1.55 -2.24 -1.26 -4.60 114.28 97.85 1bwf n THR 349 Ca 0.11 -3.79 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 1bwf n THR 349 Cb 0.65 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1bwf n THR 349 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bwf n GLY 350 N -0.61 -1.33 0.02 3.38 0.00 -0.71 -4.84 105.19 101.10 1bwf n GLY 350 Ca 0.29 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 1bwf n GLY 350 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bwf n LEU 351 N 0.00 0.46 0.00 0.99 4.32 0.29 -4.54 117.00 118.52 1bwf n LEU 351 Ca 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1bwf n LEU 351 Cb 0.00 -0.56 0.00 0.00 -1.62 0.00 0.00 43.42 41.24 1bwf n LEU 351 CO 0.00 -0.45 0.00 0.61 -1.22 0.00 0.00 177.39 176.33 1bwf n GLY 352 N 1.52 -0.40 3.77 -0.72 0.00 -1.26 -4.53 105.19 103.57 1bwf n GLY 352 Ca -0.03 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 1bwf n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwf s ALA 353 N -1.04 2.88 -0.01 4.61 0.00 -0.99 0.22 121.76 127.43 1bwf s ALA 353 Ca 0.00 0.99 0.32 0.00 0.00 0.00 0.00 51.96 53.27 1bwf s ALA 353 Cb 0.00 -3.41 1.38 0.00 0.00 0.00 0.00 23.12 21.08 1bwf s ALA 353 CO 0.00 -0.82 1.94 -1.00 0.00 0.00 0.00 175.76 175.88 1bwf h PRO 354 N 1.76 0.00 -0.05 0.00 0.13 -1.87 -3.44 132.00 128.53 1bwf h PRO 354 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1bwf h PRO 354 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1bwf h PRO 354 CO 0.59 0.00 0.00 1.88 -0.23 0.00 0.00 178.00 180.24 1bwf h TYR 355 N 0.00 0.10 -5.72 1.56 0.05 -0.85 -3.41 116.97 108.70 1bwf h TYR 355 Ca 0.00 -0.02 -0.20 0.00 0.05 0.00 0.00 58.73 58.56 1bwf h TYR 355 Cb 0.38 -0.03 0.07 0.00 1.01 0.00 0.00 36.73 38.16 1bwf h TYR 355 CO 0.00 0.36 -0.53 0.91 -1.05 0.00 0.00 178.16 177.85 1bwf n TRP 356 N -4.88 -2.54 -3.69 4.88 7.02 0.60 -4.68 117.44 114.15 1bwf n TRP 356 Ca -0.07 0.90 -0.29 0.00 -1.02 0.00 0.00 57.50 57.02 1bwf n TRP 356 Cb 0.18 -3.83 -0.13 0.00 -2.42 0.00 0.00 31.31 25.11 1bwf n TRP 356 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1bwf s ASP 357 N -3.18 3.62 0.00 -0.99 2.15 -1.26 -4.65 116.67 112.36 1bwf s ASP 357 Ca 0.21 -2.49 0.00 0.00 0.43 0.00 0.00 52.55 50.70 1bwf s ASP 357 Cb -0.05 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 1bwf s ASP 357 CO 0.79 -0.29 0.40 -0.81 -0.17 0.00 0.00 175.17 175.09 1bwf n PRO 358 N 3.72 0.00 -0.00 4.34 -0.04 -1.26 -0.55 135.00 141.21 1bwf n PRO 358 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1bwf n PRO 358 Cb 0.35 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 1bwf n PRO 358 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bwf n TYR 359 N -0.90 0.00 -1.70 0.54 4.02 -1.26 -4.73 117.16 113.13 1bwf n TYR 359 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 1bwf n TYR 359 Cb 0.00 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.35 1bwf n TYR 359 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bwf n ALA 360 N -1.24 1.05 -2.27 -0.72 0.00 -1.06 0.09 120.51 116.36 1bwf n ALA 360 Ca 0.01 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1bwf n ALA 360 Cb 0.10 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.17 1bwf n ALA 360 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bwf s ARG 361 N -3.02 1.14 0.39 0.00 1.81 -1.06 -3.28 118.95 114.93 1bwf s ARG 361 Ca 0.77 -1.51 -0.27 0.00 -1.72 0.00 0.00 55.73 53.00 1bwf s ARG 361 Cb -0.41 -0.63 -0.11 0.00 -0.45 0.00 0.00 34.95 33.35 1bwf s ARG 361 CO 0.45 0.03 1.32 0.41 -0.68 0.00 0.00 175.30 176.83 1bwf n GLY 362 N -0.26 0.67 3.30 -3.53 0.00 -0.61 -4.39 105.19 100.38 1bwf n GLY 362 Ca -0.09 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 1bwf n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwf s ALA 363 N -1.15 -0.86 -0.02 4.61 0.00 -0.18 -4.86 121.76 119.29 1bwf s ALA 363 Ca 0.58 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1bwf s ALA 363 Cb -0.52 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1bwf s ALA 363 CO 0.60 -0.50 -0.17 0.42 0.00 0.00 0.00 175.76 176.12 1bwf s ILE 364 N -2.90 1.37 0.15 0.00 1.01 -1.26 0.11 121.20 119.68 1bwf s ILE 364 Ca -0.03 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1bwf s ILE 364 Cb 0.00 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1bwf s ILE 364 CO -0.05 0.39 -0.07 -0.36 0.00 0.00 0.00 174.94 174.85 1bwf s PHE 365 N -0.25 1.24 -0.88 3.97 0.40 -0.49 -4.88 117.98 117.10 1bwf s PHE 365 Ca 0.03 -0.84 -0.05 0.00 -0.60 0.00 0.00 56.93 55.46 1bwf s PHE 365 Cb -0.08 -0.67 0.01 0.00 0.51 0.00 0.00 43.02 42.79 1bwf s PHE 365 CO 0.00 -0.01 0.72 0.41 0.70 0.00 0.00 175.22 177.04 1bwf n GLY 366 N -0.21 -0.01 3.73 4.36 0.00 -1.26 -2.09 105.19 109.70 1bwf n GLY 366 Ca -0.09 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1bwf n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwf s LEU 367 N -4.96 4.44 0.10 0.99 1.43 -1.26 -4.34 118.68 115.08 1bwf s LEU 367 Ca 0.36 2.04 0.07 0.00 -1.03 0.00 0.00 54.13 55.57 1bwf s LEU 367 Cb -0.16 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 1bwf s LEU 367 CO 0.44 -0.32 -0.17 0.28 0.23 0.00 0.00 176.35 176.81 1bwf s THR 368 N 0.31 1.45 0.57 5.49 -1.32 -1.26 -5.01 115.64 115.87 1bwf s THR 368 Ca 0.53 -1.54 0.28 0.00 -1.21 0.00 0.00 61.69 59.74 1bwf s THR 368 Cb -0.29 -1.43 0.38 0.00 -1.51 0.00 0.00 72.50 69.65 1bwf s THR 368 CO 0.33 -0.22 2.00 -0.09 -2.21 0.00 0.00 174.62 174.43 1bwf h ARG 369 N 3.94 0.00 -0.03 7.08 2.43 -2.01 0.35 114.38 126.14 1bwf h ARG 369 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1bwf h ARG 369 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1bwf h ARG 369 CO 0.43 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.30 1bwf n GLY 370 N -1.51 -0.52 3.75 2.80 0.00 -1.26 -4.91 105.19 103.54 1bwf n GLY 370 Ca 0.06 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1bwf n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bwf s VAL 371 N -1.97 3.30 0.40 1.61 1.01 0.11 -5.02 120.40 119.84 1bwf s VAL 371 Ca 0.40 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.63 1bwf s VAL 371 Cb 0.20 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 1bwf s VAL 371 CO 0.32 0.25 0.14 0.54 0.00 0.00 0.00 175.10 176.35 1bwf s ASN 372 N -0.37 2.64 0.52 3.32 2.20 -1.26 -4.97 114.94 117.02 1bwf s ASN 372 Ca 0.49 -1.66 0.28 0.00 -0.94 0.00 0.00 52.86 51.03 1bwf s ASN 372 Cb -0.34 0.48 1.41 0.00 -2.00 0.00 0.00 41.25 40.80 1bwf s ASN 372 CO 0.42 -0.93 1.93 0.00 -2.94 0.00 0.00 177.10 175.58 1bwf h ALA 373 N 1.84 2.66 0.07 3.54 0.00 -1.98 0.78 119.26 126.17 1bwf h ALA 373 Ca -0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1bwf h ALA 373 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1bwf h ALA 373 CO 0.56 -0.88 -0.03 -0.91 0.00 0.00 0.00 179.25 177.98 1bwf h ASN 374 N 0.04 -0.08 -0.46 0.00 4.21 -1.95 0.74 115.58 118.08 1bwf h ASN 374 Ca 0.37 -0.45 0.09 0.00 1.21 0.00 0.00 56.30 57.52 1bwf h ASN 374 Cb 1.40 0.02 -0.09 0.00 -1.12 0.00 0.00 38.32 38.53 1bwf h ASN 374 CO -0.02 0.44 -0.14 0.45 -1.29 0.00 0.00 177.43 176.87 1bwf h HIS 375 N -0.62 -0.31 -0.45 1.19 3.86 0.14 0.57 115.15 119.53 1bwf h HIS 375 Ca -0.01 0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 1bwf h HIS 375 Cb 0.52 0.21 -0.09 0.00 1.06 0.00 0.00 27.41 29.12 1bwf h HIS 375 CO 0.09 -0.22 -0.12 0.82 0.86 0.00 0.00 177.93 179.36 1bwf h ILE 376 N -0.03 0.53 0.03 2.45 1.08 -0.43 0.27 117.51 121.41 1bwf h ILE 376 Ca 0.22 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.71 1bwf h ILE 376 Cb 0.37 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1bwf h ILE 376 CO -0.49 0.00 -0.12 0.40 -0.69 0.00 0.00 178.15 177.25 1bwf h ILE 377 N -0.01 0.70 -0.59 -0.67 2.04 0.54 -1.16 117.51 118.36 1bwf h ILE 377 Ca 0.22 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.20 1bwf h ILE 377 Cb 0.34 0.70 -0.11 0.00 -0.74 0.00 0.00 36.82 37.01 1bwf h ILE 377 CO -0.47 0.00 -0.10 -0.09 0.00 0.00 0.00 178.15 177.50 1bwf h ARG 378 N -0.22 0.04 -0.95 2.37 2.43 0.08 0.49 114.38 118.61 1bwf h ARG 378 Ca 0.04 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 1bwf h ARG 378 Cb 0.26 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 1bwf h ARG 378 CO -0.10 0.02 0.61 0.00 -1.51 0.00 0.00 179.97 178.99 1bwf h ALA 379 N 1.57 1.56 -0.18 2.80 0.00 0.58 -1.08 119.26 124.52 1bwf h ALA 379 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1bwf h ALA 379 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1bwf h ALA 379 CO -0.57 0.23 0.10 1.15 0.00 0.00 0.00 179.25 180.16 1bwf h THR 380 N 0.97 1.09 -0.55 0.00 2.02 0.23 -0.39 112.91 116.27 1bwf h THR 380 Ca 0.45 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.47 1bwf h THR 380 Cb 0.41 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1bwf h THR 380 CO -0.21 0.08 0.26 -0.07 0.37 0.00 0.00 175.52 175.95 1bwf h LEU 381 N 0.20 0.33 -0.50 2.58 3.38 -0.74 -2.00 115.31 118.56 1bwf h LEU 381 Ca 0.06 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1bwf h LEU 381 Cb 0.04 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1bwf h LEU 381 CO -0.01 0.22 0.14 -0.33 0.09 0.00 0.00 178.44 178.55 1bwf h GLU 382 N 0.48 0.29 -0.85 1.13 5.08 -0.91 -1.84 114.58 117.96 1bwf h GLU 382 Ca 0.26 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.78 1bwf h GLU 382 Cb 0.22 -0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.29 1bwf h GLU 382 CO -0.21 0.19 0.37 0.66 -1.00 0.00 0.00 179.01 179.03 1bwf h SER 383 N 0.30 0.35 -0.68 1.42 4.64 -0.29 0.50 113.55 119.79 1bwf h SER 383 Ca 0.25 0.13 0.11 0.00 -0.47 0.00 0.00 61.79 61.81 1bwf h SER 383 Cb 0.30 0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.37 1bwf h SER 383 CO -0.29 0.07 -0.37 0.40 -0.87 0.00 0.00 176.83 175.78 1bwf h ILE 384 N 0.46 0.12 -0.66 0.95 1.08 -1.24 -2.11 117.51 116.10 1bwf h ILE 384 Ca 0.50 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.99 1bwf h ILE 384 Cb 0.86 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1bwf h ILE 384 CO -0.46 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 177.42 1bwf h ALA 385 N 1.00 0.85 0.16 1.87 0.00 -0.03 -1.23 119.26 121.88 1bwf h ALA 385 Ca 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1bwf h ALA 385 Cb 0.56 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1bwf h ALA 385 CO -0.75 0.23 -0.28 1.88 0.00 0.00 0.00 179.25 180.33 1bwf h TYR 386 N 0.86 -0.75 -0.58 0.00 0.05 -0.67 -1.48 116.97 114.41 1bwf h TYR 386 Ca 0.25 0.01 0.10 0.00 0.05 0.00 0.00 58.73 59.15 1bwf h TYR 386 Cb -0.05 0.31 -0.11 0.00 1.01 0.00 0.00 36.73 37.88 1bwf h TYR 386 CO -0.04 -0.39 -0.36 1.96 -1.05 0.00 0.00 178.16 178.29 1bwf h GLN 387 N -0.52 -0.18 -0.43 4.88 4.20 -1.33 0.83 115.11 122.57 1bwf h GLN 387 Ca 0.02 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.80 1bwf h GLN 387 Cb 0.52 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1bwf h GLN 387 CO -0.13 -0.12 0.13 1.15 -0.67 0.00 0.00 178.83 179.19 1bwf h THR 388 N -0.18 0.84 0.05 -0.54 2.02 -0.63 -0.96 112.91 113.50 1bwf h THR 388 Ca 0.22 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.32 1bwf h THR 388 Cb 0.55 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1bwf h THR 388 CO -0.67 0.05 -0.19 -0.09 0.37 0.00 0.00 175.52 174.99 1bwf h ARG 389 N 0.29 -0.31 -0.57 6.66 2.43 0.08 0.57 114.38 123.52 1bwf h ARG 389 Ca 0.20 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 1bwf h ARG 389 Cb 0.21 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 1bwf h ARG 389 CO -0.22 -0.21 -0.21 -0.25 -1.51 0.00 0.00 179.97 177.56 1bwf n ASP 390 N -5.31 -0.35 0.12 -3.80 8.00 0.27 0.59 116.55 116.05 1bwf n ASP 390 Ca -0.06 0.99 -0.19 0.00 0.71 0.00 0.00 54.79 56.25 1bwf n ASP 390 Cb 0.23 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 1bwf n ASP 390 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1bwf h VAL 391 N 0.00 1.41 -0.31 2.53 3.04 -0.53 -3.14 116.25 119.25 1bwf h VAL 391 Ca 0.21 -2.93 0.07 0.00 -1.01 0.00 0.00 66.70 63.03 1bwf h VAL 391 Cb 0.35 2.97 -0.08 0.00 -2.01 0.00 0.00 31.29 32.51 1bwf h VAL 391 CO -0.57 0.86 -0.36 0.25 -1.01 0.00 0.00 177.57 176.74 1bwf h LEU 392 N 0.10 -1.18 -0.41 3.16 6.46 0.56 0.60 115.31 124.60 1bwf h LEU 392 Ca -0.18 0.19 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1bwf h LEU 392 Cb 2.04 0.52 -0.07 0.00 -0.73 0.00 0.00 40.66 42.42 1bwf h LEU 392 CO 0.22 -0.36 -0.01 -0.33 -0.62 0.00 0.00 178.44 177.35 1bwf h GLU 393 N -0.33 0.09 -0.80 1.25 4.39 -1.03 0.13 114.58 118.28 1bwf h GLU 393 Ca 0.13 -0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.02 1bwf h GLU 393 Cb 0.56 -0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.05 1bwf h GLU 393 CO -0.49 0.06 0.02 0.00 -1.16 0.00 0.00 179.01 177.44 1bwf h ALA 394 N 1.36 0.86 0.30 3.43 0.00 -0.98 0.63 119.26 124.87 1bwf h ALA 394 Ca 0.20 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 1bwf h ALA 394 Cb 0.29 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1bwf h ALA 394 CO -0.34 -0.44 -0.50 1.98 0.00 0.00 0.00 179.25 179.95 1bwf h MET 395 N 0.10 -0.82 -0.18 0.00 1.85 0.85 0.71 114.93 117.44 1bwf h MET 395 Ca 0.45 0.06 0.03 0.00 -0.61 0.00 0.00 59.70 59.62 1bwf h MET 395 Cb 0.81 0.19 -0.05 0.00 0.43 0.00 0.00 31.60 32.97 1bwf h MET 395 CO -0.70 -0.55 -0.39 1.96 -0.40 0.00 0.00 176.91 176.83 1bwf h GLN 396 N -0.85 -0.34 -0.10 0.39 4.20 0.17 1.30 115.11 119.87 1bwf h GLN 396 Ca -0.03 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1bwf h GLN 396 Cb 0.79 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1bwf h GLN 396 CO -0.17 -0.23 -0.06 0.00 -0.67 0.00 0.00 178.83 177.70 1bwf n ALA 397 N -2.92 -0.07 0.05 3.87 0.00 0.17 0.20 120.51 121.81 1bwf n ALA 397 Ca -0.04 0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 1bwf n ALA 397 Cb 0.26 0.31 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 1bwf n ALA 397 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bwf h ASP 398 N 0.00 -0.20 -0.48 0.00 3.32 0.16 -2.87 116.42 116.36 1bwf h ASP 398 Ca 0.02 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.22 1bwf h ASP 398 Cb 0.04 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1bwf h ASP 398 CO -0.10 -0.10 0.49 0.77 -1.72 0.00 0.00 179.24 178.58 1bwf h SER 399 N -0.15 0.00 -4.07 6.45 4.64 0.23 -3.45 113.55 117.19 1bwf h SER 399 Ca -0.01 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 1bwf h SER 399 Cb 0.13 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.30 1bwf h SER 399 CO -0.00 0.00 -0.48 0.61 -0.87 0.00 0.00 176.83 176.09 1bwf n GLY 400 N -1.52 -0.17 3.25 -0.77 0.00 0.54 -5.01 105.19 101.51 1bwf n GLY 400 Ca 0.09 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1bwf n GLY 400 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bwf s ILE 401 N -3.14 0.96 -0.32 -0.61 1.01 -1.23 -5.07 121.20 112.79 1bwf s ILE 401 Ca 0.34 -2.02 0.02 0.00 0.00 0.00 0.00 60.65 59.00 1bwf s ILE 401 Cb -0.15 -1.98 0.10 0.00 0.01 0.00 0.00 42.46 40.43 1bwf s ILE 401 CO 0.43 -0.62 0.06 -0.13 0.00 0.00 0.00 174.94 174.67 1bwf s ARG 402 N -3.82 1.25 0.14 2.79 1.81 -1.26 -4.47 118.95 115.38 1bwf s ARG 402 Ca 0.20 -1.55 -0.30 0.00 -1.72 0.00 0.00 55.73 52.36 1bwf s ARG 402 Cb 0.04 -2.76 -0.07 0.00 -0.45 0.00 0.00 34.95 31.71 1bwf s ARG 402 CO 0.02 -0.93 1.26 -0.51 -0.68 0.00 0.00 175.30 174.46 1bwf s LEU 403 N 1.17 4.40 0.00 2.53 1.02 -1.26 -4.84 118.68 121.70 1bwf s LEU 403 Ca 0.09 2.22 0.23 0.00 0.02 0.00 0.00 54.13 56.70 1bwf s LEU 403 Cb -0.18 -3.60 0.14 0.00 0.02 0.00 0.00 46.19 42.57 1bwf s LEU 403 CO -0.14 -0.49 1.16 1.41 0.02 0.00 0.00 176.35 178.31 1bwf n HIS 404 N 3.24 0.00 -3.64 0.29 8.25 -1.26 -4.90 115.22 117.20 1bwf n HIS 404 Ca 0.07 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 1bwf n HIS 404 Cb 0.44 -0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.40 1bwf n HIS 404 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bwf s ALA 405 N -2.86 -1.16 -0.11 -1.41 0.00 -1.26 -3.48 121.76 111.48 1bwf s ALA 405 Ca 0.12 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1bwf s ALA 405 Cb 0.17 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1bwf s ALA 405 CO 0.73 -0.40 -0.19 -1.17 0.00 0.00 0.00 175.76 174.73 1bwf s LEU 406 N -1.66 1.92 -0.24 0.00 0.20 -0.79 -4.98 118.68 113.12 1bwf s LEU 406 Ca -0.09 -0.50 -0.12 0.00 0.69 0.00 0.00 54.13 54.11 1bwf s LEU 406 Cb -0.02 -1.25 -0.05 0.00 -0.43 0.00 0.00 46.19 44.45 1bwf s LEU 406 CO 0.02 0.08 0.25 -0.60 -0.29 0.00 0.00 176.35 175.80 1bwf s ARG 407 N 0.72 4.06 0.27 1.98 3.52 -1.25 -1.45 118.95 126.79 1bwf s ARG 407 Ca -0.11 -0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.39 1bwf s ARG 407 Cb -0.16 -3.58 0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1bwf s ARG 407 CO 0.02 -0.06 0.31 1.33 -0.81 0.00 0.00 175.30 176.09 1bwf n VAL 408 N 4.58 0.00 0.00 7.11 0.24 -0.82 -0.33 118.33 129.10 1bwf n VAL 408 Ca -0.12 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.22 1bwf n VAL 408 Cb 0.52 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1bwf n VAL 408 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1bwf n ASP 409 N -2.42 0.00 0.00 -1.34 5.75 -0.32 -4.49 116.55 113.73 1bwf n ASP 409 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1bwf n ASP 409 Cb 0.29 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1bwf n ASP 409 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bwf n GLY 410 N -0.13 2.36 0.00 6.12 0.00 -1.26 -0.15 105.19 112.13 1bwf n GLY 410 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1bwf n GLY 410 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwf n GLY 411 N 0.44 -1.16 0.18 -0.02 0.00 -1.11 -0.13 105.19 103.39 1bwf n GLY 411 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.36 1bwf n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwf h ALA 412 N -0.37 1.01 0.00 4.61 0.00 -1.90 -2.99 119.26 119.61 1bwf h ALA 412 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bwf h ALA 412 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bwf h ALA 412 CO 0.00 -0.01 0.00 1.33 0.00 0.00 0.00 179.25 180.57 1bwf n VAL 413 N -2.33 1.08 0.28 0.00 0.24 0.81 -0.63 118.33 117.78 1bwf n VAL 413 Ca -0.02 0.27 0.15 0.00 -2.04 0.00 0.00 64.34 62.70 1bwf n VAL 413 Cb 0.06 -1.12 0.83 0.00 -1.47 0.00 0.00 33.84 32.14 1bwf n VAL 413 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwf h ALA 414 N 2.37 1.32 -1.59 2.33 0.00 -1.70 -3.39 119.26 118.59 1bwf h ALA 414 Ca 0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 1bwf h ALA 414 Cb 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1bwf h ALA 414 CO 0.00 0.08 1.08 1.21 0.00 0.00 0.00 179.25 181.62 1bwf s ASN 415 N -6.04 6.19 -0.02 0.00 3.04 0.20 -4.90 114.94 113.41 1bwf s ASN 415 Ca -0.04 0.25 -0.24 0.00 0.04 0.00 0.00 52.86 52.88 1bwf s ASN 415 Cb 0.14 -2.55 -0.20 0.00 -1.54 0.00 0.00 41.25 37.10 1bwf s ASN 415 CO 0.55 -1.67 1.17 0.78 -3.04 0.00 0.00 177.10 174.90 1bwf h ASN 416 N 10.78 0.17 -0.56 -4.21 2.35 -1.85 0.28 115.58 122.54 1bwf h ASN 416 Ca -0.27 -0.62 0.11 0.00 -0.55 0.00 0.00 56.30 54.98 1bwf h ASN 416 Cb 1.09 -0.05 -0.11 0.00 0.05 0.00 0.00 38.32 39.30 1bwf h ASN 416 CO 1.18 0.76 -0.15 0.15 -1.65 0.00 0.00 177.43 177.72 1bwf h PHE 417 N -0.41 -0.34 0.40 1.19 3.57 -1.96 2.43 116.94 121.83 1bwf h PHE 417 Ca -0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1bwf h PHE 417 Cb 0.75 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1bwf h PHE 417 CO 0.13 -0.26 -0.46 1.25 -2.23 0.00 0.00 178.31 176.75 1bwf h LEU 418 N -0.02 -1.29 -0.41 0.59 6.46 -1.90 0.74 115.31 119.49 1bwf h LEU 418 Ca 0.27 0.11 0.09 0.00 -0.12 0.00 0.00 57.88 58.22 1bwf h LEU 418 Cb 0.43 0.43 -0.09 0.00 -0.73 0.00 0.00 40.66 40.70 1bwf h LEU 418 CO -0.59 -0.59 -0.25 0.24 -0.62 0.00 0.00 178.44 176.64 1bwf h MET 419 N -0.88 -0.17 0.47 1.25 2.86 0.89 0.43 114.93 119.79 1bwf h MET 419 Ca -0.05 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1bwf h MET 419 Cb 0.78 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1bwf h MET 419 CO -0.09 -0.11 -0.51 0.37 1.06 0.00 0.00 176.91 177.63 1bwf h GLN 420 N -0.17 -0.95 -0.96 1.72 5.75 0.45 -0.82 115.11 120.12 1bwf h GLN 420 Ca 0.19 0.07 0.27 0.00 -0.15 0.00 0.00 58.65 59.03 1bwf h GLN 420 Cb 0.48 0.22 -0.14 0.00 1.07 0.00 0.00 27.48 29.11 1bwf h GLN 420 CO -0.51 -0.64 0.49 0.35 -2.65 0.00 0.00 178.83 175.87 1bwf h PHE 421 N -0.99 0.80 0.04 3.99 3.57 0.12 -0.52 116.94 123.95 1bwf h PHE 421 Ca -0.06 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1bwf h PHE 421 Cb 0.87 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1bwf h PHE 421 CO -0.27 -0.11 -0.11 0.37 -2.23 0.00 0.00 178.31 175.95 1bwf h GLN 422 N 0.37 -0.20 -0.35 1.11 5.75 0.12 -1.20 115.11 120.72 1bwf h GLN 422 Ca 0.66 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 59.16 1bwf h GLN 422 Cb 1.38 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.96 1bwf h GLN 422 CO -0.58 -0.13 0.20 0.66 -2.65 0.00 0.00 178.83 176.33 1bwf h SER 423 N -0.21 0.43 -0.71 -0.69 4.64 -0.30 -1.71 113.55 115.02 1bwf h SER 423 Ca 0.03 -0.08 0.14 0.00 -0.47 0.00 0.00 61.79 61.41 1bwf h SER 423 Cb 0.24 -0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 62.08 1bwf h SER 423 CO -0.09 0.39 -0.20 0.44 -0.87 0.00 0.00 176.83 176.50 1bwf h ASP 424 N 0.45 -0.74 1.27 4.97 3.32 -0.54 0.47 116.42 125.61 1bwf h ASP 424 Ca 0.12 0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.36 1bwf h ASP 424 Cb 0.05 0.47 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1bwf h ASP 424 CO -0.02 -0.25 -0.17 -0.29 -1.72 0.00 0.00 179.24 176.80 1bwf h ILE 425 N -0.02 0.35 0.14 0.35 6.09 -1.10 -3.26 117.51 120.05 1bwf h ILE 425 Ca 0.33 -1.12 -0.19 0.00 -1.37 0.00 0.00 64.86 62.51 1bwf h ILE 425 Cb 0.53 1.86 0.02 0.00 0.47 0.00 0.00 36.82 39.70 1bwf h ILE 425 CO -0.74 0.16 -0.84 -0.07 -3.07 0.00 0.00 178.15 173.59 1bwf h LEU 426 N 0.00 0.50 -0.15 2.19 4.07 -0.09 -3.48 115.31 118.35 1bwf h LEU 426 Ca -0.00 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.01 1bwf h LEU 426 Cb 0.84 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.42 1bwf h LEU 426 CO 0.02 1.40 0.00 0.61 -1.08 0.00 0.00 178.44 179.40 1bwf n GLY 427 N 1.64 0.77 3.24 0.83 0.00 -0.03 -5.06 105.19 106.59 1bwf n GLY 427 Ca -0.14 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1bwf n GLY 427 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwf s THR 428 N -2.15 0.10 0.44 2.61 2.01 -1.21 -5.00 115.64 112.44 1bwf s THR 428 Ca 0.00 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 1bwf s THR 428 Cb 0.00 -1.07 -0.08 0.00 0.01 0.00 0.00 72.50 71.36 1bwf s THR 428 CO 0.00 -0.44 0.89 0.00 -0.69 0.00 0.00 174.62 174.37 1bwf s ARG 429 N -3.07 3.96 -0.05 4.92 1.70 -1.23 -4.47 118.95 120.72 1bwf s ARG 429 Ca -0.01 0.82 0.04 0.00 -0.47 0.00 0.00 55.73 56.10 1bwf s ARG 429 Cb 0.01 -2.25 -0.02 0.00 -0.57 0.00 0.00 34.95 32.11 1bwf s ARG 429 CO -0.07 -0.10 -0.16 0.08 -1.08 0.00 0.00 175.30 173.97 1bwf s VAL 430 N -2.39 2.94 -0.21 4.99 1.01 0.14 -1.89 120.40 124.99 1bwf s VAL 430 Ca 0.57 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1bwf s VAL 430 Cb -0.10 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1bwf s VAL 430 CO 0.26 0.59 -0.13 -1.61 0.00 0.00 0.00 175.10 174.21 1bwf s GLU 431 N -0.64 2.98 -0.38 2.72 2.02 -0.53 -0.20 118.70 124.68 1bwf s GLU 431 Ca 0.09 -0.86 -0.12 0.00 0.02 0.00 0.00 54.97 54.11 1bwf s GLU 431 Cb -0.11 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.36 1bwf s GLU 431 CO 0.01 -0.28 0.23 0.50 0.02 0.00 0.00 175.26 175.74 1bwf s ARG 432 N 1.32 2.86 0.96 1.61 3.52 0.16 -1.95 118.95 127.43 1bwf s ARG 432 Ca 0.03 -1.06 -0.11 0.00 -0.13 0.00 0.00 55.73 54.45 1bwf s ARG 432 Cb -0.15 -3.79 0.17 0.00 -1.56 0.00 0.00 34.95 29.62 1bwf s ARG 432 CO -0.08 -0.71 1.09 -1.25 -0.81 0.00 0.00 175.30 173.53 1bwf s PRO 433 N 1.58 0.74 0.02 5.12 0.04 -1.26 0.70 135.00 141.95 1bwf s PRO 433 Ca 0.03 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.87 1bwf s PRO 433 Cb -0.19 -1.73 -0.16 0.00 0.04 0.00 0.00 34.50 32.45 1bwf s PRO 433 CO 0.07 -2.65 1.30 1.49 0.04 0.00 0.00 177.00 177.25 1bwf h GLU 434 N -1.86 0.31 -7.23 4.56 4.57 0.81 -3.35 114.58 112.39 1bwf h GLU 434 Ca -0.50 -0.18 -0.50 0.00 -1.18 0.00 0.00 59.36 56.99 1bwf h GLU 434 Cb 1.29 0.02 0.05 0.00 -0.16 0.00 0.00 28.75 29.95 1bwf h GLU 434 CO 0.50 0.75 0.31 0.54 -1.18 0.00 0.00 179.01 179.93 1bwf s VAL 435 N -4.14 4.51 0.00 0.32 0.11 -1.26 -4.93 120.40 115.01 1bwf s VAL 435 Ca -0.14 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 1bwf s VAL 435 Cb 0.04 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 1bwf s VAL 435 CO 0.75 -0.93 0.00 0.54 -3.33 0.00 0.00 175.10 172.13 1bwf n ARG 436 N -2.62 0.98 -2.62 1.54 5.12 -1.26 -4.80 116.66 113.00 1bwf n ARG 436 Ca 0.04 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.55 1bwf n ARG 436 Cb 0.55 -0.96 0.01 0.00 -1.16 0.00 0.00 32.46 30.90 1bwf n ARG 436 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1bwf n GLU 437 N -1.46 5.02 -0.06 5.56 4.71 -1.26 -4.58 120.64 128.57 1bwf n GLU 437 Ca 0.00 -4.42 0.11 0.00 -0.01 0.00 0.00 57.16 52.84 1bwf n GLU 437 Cb 0.07 -2.53 0.51 0.00 -1.01 0.00 0.00 31.44 28.49 1bwf n GLU 437 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1bwf h VAL 438 N 2.63 0.91 -0.34 2.62 2.07 -1.91 0.31 116.25 122.53 1bwf h VAL 438 Ca 0.47 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.77 1bwf h VAL 438 Cb 0.40 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1bwf h VAL 438 CO 1.28 0.07 -0.13 0.74 0.02 0.00 0.00 177.57 179.56 1bwf h THR 439 N 0.39 1.28 0.02 2.57 2.02 -1.81 0.17 112.91 117.55 1bwf h THR 439 Ca 0.25 -1.22 -0.21 0.00 0.77 0.00 0.00 66.41 66.00 1bwf h THR 439 Cb 0.49 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1bwf h THR 439 CO -0.07 0.40 -0.97 0.00 0.37 0.00 0.00 175.52 175.25 1bwf h ALA 440 N 0.80 0.41 -0.18 6.16 0.00 -1.45 -1.19 119.26 123.80 1bwf h ALA 440 Ca 0.08 -0.82 0.03 0.00 0.00 0.00 0.00 54.91 54.21 1bwf h ALA 440 Cb 0.65 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1bwf h ALA 440 CO 0.04 1.06 -0.55 -0.07 0.00 0.00 0.00 179.25 179.73 1bwf h LEU 441 N 0.04 -1.76 0.00 0.00 3.38 -0.42 -0.13 115.31 116.43 1bwf h LEU 441 Ca -0.04 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1bwf h LEU 441 Cb 1.66 0.69 0.00 0.00 0.09 0.00 0.00 40.66 43.11 1bwf h LEU 441 CO 0.14 -0.47 0.00 0.61 0.09 0.00 0.00 178.44 178.81 1bwf n GLY 442 N -1.42 -3.44 0.48 0.83 0.00 0.60 -1.58 105.19 100.65 1bwf n GLY 442 Ca -0.06 0.66 0.31 0.00 0.00 0.00 0.00 46.02 46.94 1bwf n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwf h ALA 443 N -1.67 2.72 0.27 4.61 0.00 -0.92 -0.74 119.26 123.53 1bwf h ALA 443 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1bwf h ALA 443 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bwf h ALA 443 CO 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 179.25 177.97 1bwf h ALA 444 N 1.51 -0.87 -0.72 0.00 0.00 -0.65 -2.43 119.26 116.10 1bwf h ALA 444 Ca 0.65 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.54 1bwf h ALA 444 Cb 2.09 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.93 1bwf h ALA 444 CO -0.21 -0.85 -0.42 0.66 0.00 0.00 0.00 179.25 178.43 1bwf n TYR 445 N -3.17 -0.32 -0.22 0.00 4.02 -0.33 0.31 117.16 117.44 1bwf n TYR 445 Ca -0.04 0.90 -0.10 0.00 -0.01 0.00 0.00 57.90 58.64 1bwf n TYR 445 Cb 0.14 -0.55 -0.06 0.00 -0.02 0.00 0.00 39.34 38.85 1bwf n TYR 445 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1bwf h LEU 446 N 0.00 -1.71 -0.77 7.72 -0.00 -1.53 2.63 115.31 121.64 1bwf h LEU 446 Ca 0.11 0.26 -0.02 0.00 -0.00 0.00 0.00 57.88 58.23 1bwf h LEU 446 Cb 0.29 0.75 -0.04 0.00 -0.00 0.00 0.00 40.66 41.67 1bwf h LEU 446 CO -0.67 -0.34 0.39 0.00 -0.00 0.00 0.00 178.44 177.81 1bwf h ALA 447 N 0.42 1.00 -0.00 1.53 0.00 0.53 0.52 119.26 123.25 1bwf h ALA 447 Ca 0.15 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1bwf h ALA 447 Cb 0.55 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1bwf h ALA 447 CO -0.71 0.55 -0.82 0.78 0.00 0.00 0.00 179.25 179.05 1bwf h GLY 448 N 1.09 0.13 1.93 0.00 0.00 0.35 -2.84 103.07 103.72 1bwf h GLY 448 Ca 0.27 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1bwf h GLY 448 CO -0.04 0.20 -0.51 -2.00 0.00 0.00 0.00 176.54 174.19 1bwf h LEU 449 N 0.07 0.08 -1.24 3.11 7.12 0.51 -1.52 115.31 123.44 1bwf h LEU 449 Ca -0.03 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.94 1bwf h LEU 449 Cb 1.44 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.54 1bwf h LEU 449 CO 0.12 0.58 0.00 0.00 -0.13 0.00 0.00 178.44 179.01 1bwf n ALA 450 N -2.45 2.69 -1.20 1.25 0.00 0.18 -4.01 120.51 116.98 1bwf n ALA 450 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1bwf n ALA 450 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1bwf n ALA 450 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1bwf n VAL 451 N 0.07 0.00 0.00 0.00 3.14 -0.63 -4.60 118.33 116.31 1bwf n VAL 451 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1bwf n VAL 451 Cb 0.35 1.54 0.00 0.00 -1.06 0.00 0.00 33.84 34.67 1bwf n VAL 451 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bwf n GLY 452 N 0.00 3.02 0.36 7.55 0.00 -1.02 -4.80 105.19 110.30 1bwf n GLY 452 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1bwf n GLY 452 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1bwf h PHE 453 N 0.00 0.00 -3.88 1.61 3.04 -1.74 -3.40 116.94 112.58 1bwf h PHE 453 Ca 0.00 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 1bwf h PHE 453 Cb 0.00 0.00 -0.23 0.00 2.56 0.00 0.00 35.95 38.28 1bwf h PHE 453 CO 0.00 0.00 -0.69 -1.58 -2.02 0.00 0.00 178.31 174.02 1bwf s TRP 454 N -4.62 0.18 -0.28 0.41 0.51 -1.05 -4.97 118.94 109.12 1bwf s TRP 454 Ca -0.04 -0.36 0.17 0.00 -2.12 0.00 0.00 56.10 53.75 1bwf s TRP 454 Cb 0.15 -0.13 0.49 0.00 -0.81 0.00 0.00 33.47 33.17 1bwf s TRP 454 CO 0.54 -0.15 1.12 0.00 -0.51 0.00 0.00 176.95 177.96 1bwf n GLN 455 N 1.96 2.32 0.00 4.98 10.64 -1.26 -4.52 117.38 131.49 1bwf n GLN 455 Ca -0.21 -3.72 0.00 0.00 -1.83 0.00 0.00 57.00 51.24 1bwf n GLN 455 Cb 0.56 -1.81 0.00 0.00 -0.86 0.00 0.00 30.24 28.13 1bwf n GLN 455 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1bwf n ASN 456 N -0.60 0.00 0.13 2.61 2.85 -1.26 -5.07 115.26 113.93 1bwf n ASN 456 Ca 0.19 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.42 1bwf n ASN 456 Cb 0.85 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.71 1bwf n ASN 456 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1bwf h LEU 457 N 0.00 0.78 0.00 1.20 -0.00 -1.97 -3.29 115.31 112.03 1bwf h LEU 457 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 57.88 56.98 1bwf h LEU 457 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.40 1bwf h LEU 457 CO 0.00 1.72 0.08 0.47 -0.00 0.00 0.00 178.44 180.71 1bwf n ASP 458 N -3.68 0.00 0.03 -0.43 8.00 -1.26 0.14 116.55 119.35 1bwf n ASP 458 Ca -0.18 0.27 -0.01 0.00 0.71 0.00 0.00 54.79 55.57 1bwf n ASP 458 Cb 1.10 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.92 1bwf n ASP 458 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1bwf h GLU 459 N 0.00 -0.08 0.00 -1.24 5.08 -1.99 -3.30 114.58 113.04 1bwf h GLU 459 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1bwf h GLU 459 Cb 0.17 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1bwf h GLU 459 CO 0.00 -0.05 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.88 1bwf h LEU 460 N -0.15 0.00 -0.79 1.33 4.07 -0.69 -3.30 115.31 115.78 1bwf h LEU 460 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1bwf h LEU 460 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1bwf h LEU 460 CO 0.01 0.00 0.63 1.56 -1.08 0.00 0.00 178.44 179.57 1bwf h GLN 461 N 0.00 0.00 -0.00 1.13 4.20 0.12 -1.53 115.11 119.03 1bwf h GLN 461 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bwf h GLN 461 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1bwf h GLN 461 CO 0.00 0.00 -0.20 0.39 -0.67 0.00 0.00 178.83 178.35 1bwf n GLU 462 N -2.44 0.04 -0.00 1.46 4.71 -1.24 -3.55 120.64 119.62 1bwf n GLU 462 Ca -0.01 -0.01 0.15 0.00 -0.01 0.00 0.00 57.16 57.28 1bwf n GLU 462 Cb 0.65 -1.50 0.77 0.00 -1.01 0.00 0.00 31.44 30.34 1bwf n GLU 462 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1bwf n LYS 463 N -1.47 1.25 -1.61 3.49 4.76 -0.58 -4.19 118.16 119.81 1bwf n LYS 463 Ca 0.07 -0.37 -0.30 0.00 -2.87 0.00 0.00 58.31 54.84 1bwf n LYS 463 Cb 0.33 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 32.00 1bwf n LYS 463 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bwf n ALA 464 N -0.54 6.58 -2.23 7.82 0.00 -1.23 -4.41 120.51 126.49 1bwf n ALA 464 Ca 0.22 -3.30 -0.41 0.00 0.00 0.00 0.00 53.44 49.94 1bwf n ALA 464 Cb 0.20 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.24 1bwf n ALA 464 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bwf s VAL 465 N -1.69 4.45 -0.49 0.00 1.01 -1.26 -4.94 120.40 117.48 1bwf s VAL 465 Ca 0.58 2.05 -0.20 0.00 0.00 0.00 0.00 61.98 64.42 1bwf s VAL 465 Cb 0.32 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1bwf s VAL 465 CO -0.17 0.32 0.64 -0.63 0.00 0.00 0.00 175.10 175.26 1bwf s ILE 466 N -0.06 4.85 -0.02 2.22 -1.09 -1.26 0.13 121.20 125.96 1bwf s ILE 466 Ca 0.47 -0.29 -0.24 0.00 -2.23 0.00 0.00 60.65 58.36 1bwf s ILE 466 Cb -0.24 -4.27 -0.18 0.00 -1.58 0.00 0.00 42.46 36.19 1bwf s ILE 466 CO 0.30 -0.75 1.12 -0.08 -1.23 0.00 0.00 174.94 174.30 1bwf h GLU 467 N 8.97 -0.19 -6.57 2.79 4.81 0.14 -3.45 114.58 121.09 1bwf h GLU 467 Ca -0.27 0.01 -0.70 0.00 -0.13 0.00 0.00 59.36 58.28 1bwf h GLU 467 Cb 1.09 0.04 -0.30 0.00 0.63 0.00 0.00 28.75 30.22 1bwf h GLU 467 CO 0.94 0.24 -0.88 0.50 -0.73 0.00 0.00 179.01 179.08 1bwf s ARG 468 N -4.06 2.15 -0.13 1.92 3.00 0.20 -4.95 118.95 117.08 1bwf s ARG 468 Ca -0.14 -0.92 0.02 0.00 -1.00 0.00 0.00 55.73 53.69 1bwf s ARG 468 Cb 0.01 -2.06 0.00 0.00 0.00 0.00 0.00 34.95 32.91 1bwf s ARG 468 CO 0.57 0.55 -0.21 -2.00 0.00 0.00 0.00 175.30 174.21 1bwf s GLU 469 N -0.59 3.09 -0.20 5.12 2.12 -1.26 0.37 118.70 127.34 1bwf s GLU 469 Ca 0.09 -0.83 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 1bwf s GLU 469 Cb -0.10 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.82 1bwf s GLU 469 CO -0.01 0.05 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.66 1bwf s PHE 470 N 0.67 2.96 -0.09 5.30 0.40 0.72 -4.95 117.98 122.99 1bwf s PHE 470 Ca -0.10 -0.76 0.01 0.00 -0.60 0.00 0.00 56.93 55.48 1bwf s PHE 470 Cb -0.16 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 1bwf s PHE 470 CO 0.02 -0.41 -0.10 1.03 0.70 0.00 0.00 175.22 176.46 1bwf s ARG 471 N 1.16 2.92 0.50 0.44 0.52 -1.26 0.25 118.95 123.47 1bwf s ARG 471 Ca 0.02 -0.62 -0.22 0.00 -0.52 0.00 0.00 55.73 54.39 1bwf s ARG 471 Cb -0.14 -2.57 -0.06 0.00 0.52 0.00 0.00 34.95 32.69 1bwf s ARG 471 CO -0.01 0.51 1.26 -2.14 0.02 0.00 0.00 175.30 174.94 1bwf s PRO 472 N -0.40 3.46 0.00 3.54 0.02 -1.26 -4.78 135.00 135.57 1bwf s PRO 472 Ca 0.05 2.00 0.22 0.00 0.02 0.00 0.00 61.00 63.28 1bwf s PRO 472 Cb -0.12 -2.33 0.36 0.00 0.02 0.00 0.00 34.50 32.42 1bwf s PRO 472 CO 0.02 -0.86 1.14 0.41 -0.33 0.00 0.00 177.00 177.38 1bwf n GLY 473 N 0.58 0.92 3.08 0.52 0.00 -1.26 -4.96 105.19 104.06 1bwf n GLY 473 Ca 0.09 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 1bwf n GLY 473 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bwf s ILE 474 N 0.00 0.92 0.61 -0.61 1.09 -1.26 -5.11 121.20 116.84 1bwf s ILE 474 Ca 0.28 -0.64 -0.10 0.00 -1.10 0.00 0.00 60.65 59.10 1bwf s ILE 474 Cb 0.32 -0.80 -0.02 0.00 -1.06 0.00 0.00 42.46 40.90 1bwf s ILE 474 CO -0.14 0.16 0.99 -0.70 -0.10 0.00 0.00 174.94 175.15 1bwf s GLU 475 N -0.54 3.36 0.43 2.79 2.12 -1.26 -4.90 118.70 120.70 1bwf s GLU 475 Ca 0.03 0.52 0.15 0.00 0.36 0.00 0.00 54.97 56.03 1bwf s GLU 475 Cb -0.05 -2.14 0.81 0.00 0.26 0.00 0.00 34.13 33.01 1bwf s GLU 475 CO 0.00 -0.62 1.37 0.00 -0.54 0.00 0.00 175.26 175.47 1bwf h THR 476 N -0.29 0.00 0.02 -1.70 1.03 -2.00 -2.30 112.91 107.68 1bwf h THR 476 Ca -0.45 0.00 -0.37 0.00 -0.01 0.00 0.00 66.41 65.58 1bwf h THR 476 Cb 1.21 0.33 -0.05 0.00 -1.07 0.00 0.00 68.15 68.58 1bwf h THR 476 CO 0.62 0.00 -2.08 0.41 -0.01 0.00 0.00 175.52 174.47 1bwf n THR 477 N -2.26 1.57 -0.14 0.00 -1.04 -1.26 -3.65 114.28 107.51 1bwf n THR 477 Ca -0.01 -0.38 -0.04 0.00 -2.04 0.00 0.00 64.05 61.58 1bwf n THR 477 Cb 0.43 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 67.10 1bwf n THR 477 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1bwf n GLU 478 N -3.94 -0.14 -0.05 -2.82 -0.58 -0.89 0.20 120.64 112.42 1bwf n GLU 478 Ca -0.42 0.78 -0.02 0.00 -0.42 0.00 0.00 57.16 57.08 1bwf n GLU 478 Cb 0.88 -1.15 -0.02 0.00 -0.57 0.00 0.00 31.44 30.58 1bwf n GLU 478 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bwf h ARG 479 N 0.00 -0.03 -0.63 3.49 3.08 -1.66 -0.91 114.38 117.72 1bwf h ARG 479 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1bwf h ARG 479 Cb 0.13 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1bwf h ARG 479 CO -0.31 -0.02 0.36 -0.91 -1.07 0.00 0.00 179.97 178.02 1bwf h ASN 480 N -0.03 0.77 -0.08 7.04 2.35 -1.27 0.32 115.58 124.68 1bwf h ASN 480 Ca 0.02 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1bwf h ASN 480 Cb 0.08 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1bwf h ASN 480 CO -0.13 0.61 -0.49 0.22 -1.65 0.00 0.00 177.43 175.99 1bwf h TYR 481 N 0.88 -1.43 0.61 1.19 3.20 0.34 0.16 116.97 121.92 1bwf h TYR 481 Ca 0.23 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1bwf h TYR 481 Cb 0.00 0.64 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1bwf h TYR 481 CO 0.00 -0.53 -0.50 0.00 -1.64 0.00 0.00 178.16 175.50 1bwf h ARG 482 N -0.58 -1.04 -0.95 1.82 2.47 0.17 -2.34 114.38 113.94 1bwf h ARG 482 Ca 0.04 0.07 0.24 0.00 -1.26 0.00 0.00 59.98 59.08 1bwf h ARG 482 Cb 0.68 0.24 -0.18 0.00 -1.65 0.00 0.00 29.97 29.06 1bwf h ARG 482 CO -0.39 -0.69 -0.05 0.98 0.56 0.00 0.00 179.97 180.38 1bwf n TYR 483 N -5.53 0.53 0.08 3.04 9.36 0.98 0.40 117.16 126.03 1bwf n TYR 483 Ca -0.13 1.14 -0.13 0.00 3.32 0.00 0.00 57.90 62.11 1bwf n TYR 483 Cb 0.47 -1.17 -0.08 0.00 -0.63 0.00 0.00 39.34 37.94 1bwf n TYR 483 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bwf h ALA 484 N 1.89 -0.90 -0.77 2.98 0.00 -0.16 0.40 119.26 122.70 1bwf h ALA 484 Ca 0.54 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.56 1bwf h ALA 484 Cb 1.05 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1bwf h ALA 484 CO -0.91 -1.00 0.53 0.78 0.00 0.00 0.00 179.25 178.65 1bwf h GLY 485 N -0.58 0.30 0.22 0.00 0.00 0.39 0.41 103.07 103.81 1bwf h GLY 485 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1bwf h GLY 485 CO -0.23 0.01 -0.17 -0.25 0.00 0.00 0.00 176.54 175.90 1bwf h TRP 486 N 0.15 -0.47 -0.88 5.60 2.91 0.27 0.89 115.95 124.42 1bwf h TRP 486 Ca 0.38 -0.00 0.23 0.00 1.13 0.00 0.00 58.89 60.62 1bwf h TRP 486 Cb 1.25 0.17 -0.13 0.00 -0.51 0.00 0.00 29.16 29.94 1bwf h TRP 486 CO -0.00 -0.24 0.32 0.87 -1.03 0.00 0.00 178.44 178.35 1bwf h LYS 487 N -0.38 0.29 -0.03 2.65 1.57 0.11 0.91 116.57 121.69 1bwf h LYS 487 Ca -0.03 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1bwf h LYS 487 Cb 0.32 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1bwf h LYS 487 CO 0.01 0.19 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.53 1bwf h LYS 488 N 0.30 -0.44 -0.73 3.15 3.64 0.22 -1.83 116.57 120.87 1bwf h LYS 488 Ca 0.55 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 60.08 1bwf h LYS 488 Cb 1.09 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1bwf h LYS 488 CO -0.59 -0.30 0.34 0.00 -2.27 0.00 0.00 179.45 176.64 1bwf h ALA 489 N 0.28 1.02 0.05 5.00 0.00 0.33 -2.83 119.26 123.10 1bwf h ALA 489 Ca 0.07 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1bwf h ALA 489 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1bwf h ALA 489 CO -0.29 -0.11 -0.20 0.28 0.00 0.00 0.00 179.25 178.94 1bwf h VAL 490 N 0.55 0.54 -0.95 0.00 2.07 -0.21 -2.01 116.25 116.24 1bwf h VAL 490 Ca 0.37 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.03 1bwf h VAL 490 Cb 0.47 0.54 -0.14 0.00 -1.52 0.00 0.00 31.29 30.63 1bwf h VAL 490 CO -0.32 0.00 -0.41 0.29 0.02 0.00 0.00 177.57 177.15 1bwf n LYS 491 N -5.33 -0.26 0.21 1.57 5.02 -0.89 0.19 118.16 118.67 1bwf n LYS 491 Ca -0.06 1.45 0.12 0.00 -2.02 0.00 0.00 58.31 57.81 1bwf n LYS 491 Cb 0.24 -2.15 0.66 0.00 -0.02 0.00 0.00 35.03 33.76 1bwf n LYS 491 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bwf h ARG 492 N 0.00 0.00 0.00 1.97 -0.00 -1.24 -2.29 114.38 112.81 1bwf h ARG 492 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.77 1bwf h ARG 492 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.50 1bwf h ARG 492 CO -0.93 0.00 -1.46 0.00 0.00 0.00 0.00 179.97 177.58 1bwf n ALA 493 N -1.79 3.62 -1.64 0.04 0.00 0.50 -4.95 120.51 116.30 1bwf n ALA 493 Ca -0.02 -0.52 -0.34 0.00 0.00 0.00 0.00 53.44 52.56 1bwf n ALA 493 Cb 0.14 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 18.92 1bwf n ALA 493 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwf s MET 494 N -3.15 3.02 -1.29 0.00 0.00 -0.87 -2.57 119.30 114.44 1bwf s MET 494 Ca -0.00 1.55 -0.05 0.00 0.00 0.00 0.00 55.69 57.19 1bwf s MET 494 Cb 0.14 -1.96 0.01 0.00 0.00 0.00 0.00 34.83 33.01 1bwf s MET 494 CO 0.83 -1.11 1.09 0.00 0.00 0.00 0.00 175.02 175.83 1bwf n ALA 495 N -1.87 -1.64 -0.05 3.16 0.00 -1.26 -4.79 120.51 114.05 1bwf n ALA 495 Ca 0.11 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.66 1bwf n ALA 495 Cb 0.51 -4.06 -0.07 0.00 0.00 0.00 0.00 19.45 15.83 1bwf n ALA 495 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1bwf h TRP 496 N -2.32 -0.02 -4.08 0.00 2.91 -1.19 -3.46 115.95 107.78 1bwf h TRP 496 Ca -0.58 -0.00 -0.55 0.00 1.13 0.00 0.00 58.89 58.89 1bwf h TRP 496 Cb 1.36 0.01 0.13 0.00 -0.51 0.00 0.00 29.16 30.15 1bwf h TRP 496 CO 0.47 0.53 0.54 -2.00 -1.03 0.00 0.00 178.44 176.95 1bwf s GLU 497 N -2.11 2.94 -0.38 2.65 2.56 0.11 -4.97 118.70 119.49 1bwf s GLU 497 Ca -0.11 2.06 -0.16 0.00 0.00 0.00 0.00 54.97 56.76 1bwf s GLU 497 Cb -0.01 -2.05 0.01 0.00 2.00 0.00 0.00 34.13 34.07 1bwf s GLU 497 CO 0.40 -1.30 0.39 -1.21 -0.56 0.00 0.00 175.26 172.98 1bwf s GLU 498 N -3.15 3.29 0.00 4.30 8.01 -1.26 -4.91 118.70 124.98 1bwf s GLU 498 Ca 0.76 -0.64 0.13 0.00 0.01 0.00 0.00 54.97 55.23 1bwf s GLU 498 Cb -0.37 -3.90 0.10 0.00 -4.31 0.00 0.00 34.13 25.66 1bwf s GLU 498 CO 0.41 -0.69 0.91 -2.39 0.01 0.00 0.00 175.26 173.50