#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wra n SER 28 N 0.00 0.00 0.03 4.31 7.64 -1.26 -4.82 113.62 119.53 1wra n SER 28 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 1wra n SER 28 Cb 0.00 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 1wra n SER 28 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wra n SER 29 N 0.00 0.52 -1.95 6.43 3.41 -1.26 -4.98 113.62 115.79 1wra n SER 29 Ca 0.00 0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.59 1wra n SER 29 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1wra n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wra n GLY 30 N 1.42 0.24 3.16 5.00 0.00 -1.26 -4.11 105.19 109.64 1wra n GLY 30 Ca 0.05 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1wra n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wra s ASN 31 N -3.24 4.56 0.03 1.61 0.01 -1.26 -1.68 114.94 114.97 1wra s ASN 31 Ca 0.22 -1.13 0.01 0.00 -0.71 0.00 0.00 52.86 51.25 1wra s ASN 31 Cb -0.10 -1.66 -0.02 0.00 0.41 0.00 0.00 41.25 39.88 1wra s ASN 31 CO 0.33 -0.19 -0.06 -0.54 -1.51 0.00 0.00 177.10 175.13 1wra s LYS 32 N 1.26 0.45 -0.12 -0.60 1.02 -0.30 -0.53 119.74 120.92 1wra s LYS 32 Ca -0.04 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.25 1wra s LYS 32 Cb -0.18 -0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 1wra s LYS 32 CO -0.03 0.00 -0.21 -1.50 -0.92 0.00 0.00 175.35 172.69 1wra s ILE 33 N -1.54 2.27 -0.37 2.17 2.07 -0.52 -0.57 121.20 124.73 1wra s ILE 33 Ca -0.11 -0.93 -0.07 0.00 -1.41 0.00 0.00 60.65 58.13 1wra s ILE 33 Cb -0.09 -1.90 0.06 0.00 0.13 0.00 0.00 42.46 40.65 1wra s ILE 33 CO -0.01 0.55 0.16 -1.00 -1.91 0.00 0.00 174.94 172.73 1wra s HIS 34 N 0.53 3.31 -0.42 3.50 3.76 0.06 -1.83 115.29 124.20 1wra s HIS 34 Ca -0.13 -1.54 -0.24 0.00 -0.15 0.00 0.00 55.06 53.00 1wra s HIS 34 Cb -0.17 -2.55 0.02 0.00 1.11 0.00 0.00 32.58 30.99 1wra s HIS 34 CO 0.04 -0.78 0.86 -0.06 -0.85 0.00 0.00 174.74 173.95 1wra s PHE 35 N 1.39 3.01 0.18 1.40 0.08 -0.14 -1.12 117.98 122.77 1wra s PHE 35 Ca 0.01 0.44 -0.32 0.00 0.12 0.00 0.00 56.93 57.18 1wra s PHE 35 Cb -0.21 -3.71 -0.11 0.00 -0.57 0.00 0.00 43.02 38.42 1wra s PHE 35 CO 0.02 -0.94 1.64 0.42 -0.10 0.00 0.00 175.22 176.25 1wra s ILE 36 N 3.45 2.35 0.24 0.64 -1.09 -0.17 -1.05 121.20 125.58 1wra s ILE 36 Ca 0.34 0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.72 1wra s ILE 36 Cb -0.12 -3.16 -0.09 0.00 -1.58 0.00 0.00 42.46 37.51 1wra s ILE 36 CO 0.22 0.02 1.07 0.20 -1.23 0.00 0.00 174.94 175.22 1wra s ASN 37 N 1.16 7.34 0.69 3.58 0.01 0.46 -4.67 114.94 123.50 1wra s ASN 37 Ca 0.72 2.16 -0.11 0.00 -0.71 0.00 0.00 52.86 54.92 1wra s ASN 37 Cb -0.46 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 38.58 1wra s ASN 37 CO 0.32 -0.11 1.06 0.68 -1.51 0.00 0.00 177.10 177.54 1wra s VAL 38 N -0.92 4.08 -0.18 1.60 -7.23 -0.79 -4.81 120.40 112.16 1wra s VAL 38 Ca 0.45 0.67 -0.24 0.00 -1.81 0.00 0.00 61.98 61.05 1wra s VAL 38 Cb -0.30 -3.47 -0.21 0.00 0.56 0.00 0.00 36.38 32.96 1wra s VAL 38 CO 0.38 -0.88 0.42 1.56 -0.31 0.00 0.00 175.10 176.27 1wra h GLN 39 N -0.67 0.00 -3.36 4.82 4.20 -1.78 -1.50 115.11 116.82 1wra h GLN 39 Ca -0.44 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.16 1wra h GLN 39 Cb 1.21 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.81 1wra h GLN 39 CO 0.58 0.97 -0.35 -1.21 -0.67 0.00 0.00 178.83 178.16 1wra s GLU 40 N -2.30 0.68 3.16 1.46 2.02 -1.25 -4.67 118.70 117.81 1wra s GLU 40 Ca -0.24 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1wra s GLU 40 Cb 0.02 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1wra s GLU 40 CO 0.62 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1wra n GLY 41 N 0.92 -0.13 2.95 -1.39 0.00 -1.26 -4.62 105.19 101.66 1wra n GLY 41 Ca -0.20 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 1wra n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wra s GLY 42 N -0.55 0.51 -0.19 -0.02 0.00 -1.26 -2.46 107.32 103.36 1wra s GLY 42 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 44.72 44.26 1wra s GLY 42 CO 0.00 0.21 0.82 -0.45 0.00 0.00 0.00 173.10 173.68 1wra s SER 43 N 0.62 -0.59 -0.14 1.64 0.15 -1.15 -4.94 113.70 109.29 1wra s SER 43 Ca -0.09 0.93 -0.01 0.00 0.70 0.00 0.00 55.95 57.47 1wra s SER 43 Cb -0.13 0.86 -0.02 0.00 -1.71 0.00 0.00 66.02 65.03 1wra s SER 43 CO 0.01 -0.35 -0.11 -1.81 1.20 0.00 0.00 173.24 172.18 1wra s ASP 44 N -0.38 4.18 -0.20 5.45 1.11 -0.71 -4.77 116.67 121.34 1wra s ASP 44 Ca -0.03 -0.30 -0.05 0.00 0.18 0.00 0.00 52.55 52.35 1wra s ASP 44 Cb -0.03 -1.65 0.10 0.00 1.07 0.00 0.00 42.92 42.41 1wra s ASP 44 CO 0.02 0.15 0.38 0.00 1.18 0.00 0.00 175.17 176.90 1wra s ALA 45 N 0.47 -1.04 -0.07 5.23 0.00 -1.26 -0.89 121.76 124.20 1wra s ALA 45 Ca -0.08 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1wra s ALA 45 Cb -0.15 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.58 1wra s ALA 45 CO 0.04 -0.91 -0.13 0.42 0.00 0.00 0.00 175.76 175.18 1wra s ILE 46 N 2.56 1.17 -0.25 0.00 1.01 -0.38 -1.00 121.20 124.30 1wra s ILE 46 Ca 0.04 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 1wra s ILE 46 Cb -0.13 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1wra s ILE 46 CO -0.13 0.36 0.07 -0.63 0.00 0.00 0.00 174.94 174.62 1wra s ILE 47 N 0.69 4.31 -0.02 2.92 1.01 -0.28 -0.70 121.20 129.13 1wra s ILE 47 Ca -0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 1wra s ILE 47 Cb -0.16 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 1wra s ILE 47 CO 0.03 0.32 0.45 -0.76 0.00 0.00 0.00 174.94 174.98 1wra s LEU 48 N 1.61 4.43 -0.08 2.97 1.43 -0.08 -0.76 118.68 128.21 1wra s LEU 48 Ca 0.06 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 1wra s LEU 48 Cb -0.15 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.42 1wra s LEU 48 CO 0.04 0.23 -0.11 -0.70 0.23 0.00 0.00 176.35 176.04 1wra s GLU 49 N -0.64 1.69 -0.18 1.70 2.12 0.26 -2.06 118.70 121.59 1wra s GLU 49 Ca 0.25 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.16 1wra s GLU 49 Cb -0.17 -1.50 0.09 0.00 0.26 0.00 0.00 34.13 32.81 1wra s GLU 49 CO 0.13 -0.07 0.28 0.45 -0.54 0.00 0.00 175.26 175.52 1wra s SER 50 N 1.00 0.59 -1.42 -1.70 0.15 -0.36 -1.14 113.70 110.81 1wra s SER 50 Ca -0.08 0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.81 1wra s SER 50 Cb -0.15 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1wra s SER 50 CO -0.00 -0.28 0.31 -3.20 1.20 0.00 0.00 173.24 171.27 1wra n ASN 51 N 5.35 -0.68 0.00 5.45 5.15 -0.68 -0.27 115.26 129.58 1wra n ASN 51 Ca -0.06 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 1wra n ASN 51 Cb 0.50 -2.31 0.00 0.00 -0.53 0.00 0.00 39.78 37.44 1wra n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wra n GLY 52 N -2.22 0.92 3.91 8.20 0.00 -1.26 -5.00 105.19 109.74 1wra n GLY 52 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1wra n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wra s HIS 53 N -3.71 3.52 0.01 1.61 3.76 0.63 -5.03 115.29 116.08 1wra s HIS 53 Ca 0.00 0.32 0.04 0.00 -0.15 0.00 0.00 55.06 55.27 1wra s HIS 53 Cb 0.00 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 1wra s HIS 53 CO 0.00 0.58 -0.12 -0.06 -0.85 0.00 0.00 174.74 174.29 1wra s PHE 54 N -1.48 1.07 0.16 1.40 0.08 -1.26 -1.23 117.98 116.72 1wra s PHE 54 Ca 0.34 -0.25 -0.15 0.00 0.12 0.00 0.00 56.93 56.99 1wra s PHE 54 Cb -0.13 -0.67 0.02 0.00 -0.57 0.00 0.00 43.02 41.67 1wra s PHE 54 CO 0.25 -0.01 0.43 0.00 -0.10 0.00 0.00 175.22 175.80 1wra s ALA 55 N -0.47 -0.77 -0.01 5.36 0.00 -0.88 -0.61 121.76 124.38 1wra s ALA 55 Ca 0.03 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1wra s ALA 55 Cb -0.06 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 1wra s ALA 55 CO 0.00 -0.71 -0.18 -1.64 0.00 0.00 0.00 175.76 173.23 1wra s MET 56 N -3.86 1.43 -0.35 0.00 -1.94 -0.77 -0.90 119.30 112.92 1wra s MET 56 Ca 0.08 -0.67 -0.06 0.00 -1.71 0.00 0.00 55.69 53.33 1wra s MET 56 Cb 0.01 -1.40 0.05 0.00 2.01 0.00 0.00 34.83 35.50 1wra s MET 56 CO -0.06 0.38 0.11 0.08 -0.01 0.00 0.00 175.02 175.52 1wra s VAL 57 N -0.46 3.67 0.49 -6.03 1.01 0.12 -0.27 120.40 118.93 1wra s VAL 57 Ca 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1wra s VAL 57 Cb -0.07 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1wra s VAL 57 CO -0.00 -0.24 0.00 0.47 0.00 0.00 0.00 175.10 175.33 1wra n ASP 58 N 4.78 -8.18 0.00 3.32 8.00 0.38 -1.25 116.55 123.60 1wra n ASP 58 Ca -0.12 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.46 1wra n ASP 58 Cb 0.44 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 1wra n ASP 58 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wra n THR 59 N -4.24 0.00 0.00 -3.53 -2.24 -0.05 -3.29 114.28 100.93 1wra n THR 59 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1wra n THR 59 Cb 0.65 1.84 0.00 0.00 -2.10 0.00 0.00 70.33 70.72 1wra n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wra n GLY 60 N 0.00 -1.76 3.76 3.38 0.00 -0.07 -3.97 105.19 106.54 1wra n GLY 60 Ca 0.00 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 1wra n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wra s GLU 61 N -2.58 3.71 0.25 1.61 2.56 -1.22 -2.16 118.70 120.87 1wra s GLU 61 Ca 0.00 2.01 0.11 0.00 0.00 0.00 0.00 54.97 57.09 1wra s GLU 61 Cb 0.00 -2.51 -0.05 0.00 2.00 0.00 0.00 34.13 33.58 1wra s GLU 61 CO 0.00 -0.66 -0.14 0.16 -0.56 0.00 0.00 175.26 174.06 1wra s ASP 62 N -1.04 3.90 0.28 -1.70 -4.77 -1.26 -1.12 116.67 110.95 1wra s ASP 62 Ca 0.63 -0.85 -0.03 0.00 -3.30 0.00 0.00 52.55 48.99 1wra s ASP 62 Cb -0.35 -0.49 0.36 0.00 -1.09 0.00 0.00 42.92 41.36 1wra s ASP 62 CO 0.43 0.05 1.92 1.88 0.70 0.00 0.00 175.17 180.15 1wra h TYR 63 N 2.39 1.10 -4.17 2.11 0.05 -1.97 -3.45 116.97 113.03 1wra h TYR 63 Ca -0.43 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.84 1wra h TYR 63 Cb 1.24 -0.36 0.11 0.00 1.01 0.00 0.00 36.73 38.74 1wra h TYR 63 CO 0.74 0.73 0.39 0.34 -1.05 0.00 0.00 178.16 179.31 1wra s ASP 64 N -6.29 4.94 -0.08 3.88 2.15 -1.26 -4.94 116.67 115.07 1wra s ASP 64 Ca -0.12 2.14 -0.30 0.00 0.43 0.00 0.00 52.55 54.71 1wra s ASP 64 Cb 0.17 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.33 1wra s ASP 64 CO 0.81 -1.75 0.91 0.72 -0.17 0.00 0.00 175.17 175.69 1wra s PHE 65 N -2.12 -0.39 0.28 -5.34 -0.12 -1.26 -5.00 117.98 104.02 1wra s PHE 65 Ca 0.70 0.50 -0.29 0.00 -0.05 0.00 0.00 56.93 57.80 1wra s PHE 65 Cb -0.24 0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 42.54 1wra s PHE 65 CO 0.40 -0.46 1.01 -1.25 -0.05 0.00 0.00 175.22 174.86 1wra s PRO 66 N -2.01 4.69 0.00 1.99 0.04 -1.26 -4.95 135.00 133.50 1wra s PRO 66 Ca 0.00 1.59 0.20 0.00 0.04 0.00 0.00 61.00 62.82 1wra s PRO 66 Cb -0.01 -3.13 0.27 0.00 0.04 0.00 0.00 34.50 31.68 1wra s PRO 66 CO -0.02 0.33 1.22 -0.40 0.04 0.00 0.00 177.00 178.17 1wra n ASP 67 N 1.14 2.95 0.00 6.66 5.75 -1.26 -4.79 116.55 127.00 1wra n ASP 67 Ca -0.01 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1wra n ASP 67 Cb 0.47 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1wra n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wra n GLY 68 N 1.17 0.87 0.30 6.12 0.00 -1.24 -4.50 105.19 107.90 1wra n GLY 68 Ca 0.14 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.35 1wra n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wra h SER 69 N 0.00 0.00 -3.64 1.61 4.64 -1.93 -3.37 113.55 110.85 1wra h SER 69 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 1wra h SER 69 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 1wra h SER 69 CO 0.00 0.01 -0.63 -0.62 -0.87 0.00 0.00 176.83 174.73 1wra s ASP 70 N -5.57 5.14 0.02 4.97 -1.08 -1.26 -5.00 116.67 113.90 1wra s ASP 70 Ca -0.01 -0.97 0.14 0.00 -0.52 0.00 0.00 52.55 51.19 1wra s ASP 70 Cb 0.10 -1.85 0.61 0.00 -1.46 0.00 0.00 42.92 40.32 1wra s ASP 70 CO 0.51 -0.26 1.45 -1.54 0.52 0.00 0.00 175.17 175.85 1wra n SER 71 N 4.81 0.05 0.22 -0.34 3.41 -1.26 -0.77 113.62 119.73 1wra n SER 71 Ca -0.14 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.04 1wra n SER 71 Cb 0.46 -0.52 0.49 0.00 -0.26 0.00 0.00 64.21 64.38 1wra n SER 71 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wra h ARG 72 N 0.00 0.00 -2.28 4.33 2.43 -1.94 -3.33 114.38 113.59 1wra h ARG 72 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 1wra h ARG 72 Cb 0.24 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.38 1wra h ARG 72 CO 0.00 0.22 -0.79 0.66 -1.51 0.00 0.00 179.97 178.55 1wra n TYR 73 N -4.19 1.90 -1.36 2.20 4.01 0.05 -4.95 117.16 114.81 1wra n TYR 73 Ca -0.02 -3.91 -0.31 0.00 -0.16 0.00 0.00 57.90 53.50 1wra n TYR 73 Cb 0.28 -0.42 0.08 0.00 -0.31 0.00 0.00 39.34 38.97 1wra n TYR 73 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wra s PRO 74 N -1.68 2.47 0.26 -0.72 0.04 -1.23 -3.67 135.00 130.47 1wra s PRO 74 Ca 0.36 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 1wra s PRO 74 Cb 0.12 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.63 1wra s PRO 74 CO -0.08 -1.47 1.44 -0.46 0.04 0.00 0.00 177.00 176.46 1wra s TRP 75 N -2.95 3.01 0.08 0.56 -0.11 -1.26 -4.71 118.94 113.56 1wra s TRP 75 Ca 0.60 1.04 -0.08 0.00 1.22 0.00 0.00 56.10 58.87 1wra s TRP 75 Cb -0.16 -3.82 -0.00 0.00 -1.50 0.00 0.00 33.47 27.98 1wra s TRP 75 CO 0.56 -2.67 0.18 1.03 -4.62 0.00 0.00 176.95 171.43 1wra s ARG 76 N -0.46 0.82 0.02 5.86 0.52 -1.26 -5.01 118.95 119.45 1wra s ARG 76 Ca 0.59 -0.96 -0.19 0.00 -0.52 0.00 0.00 55.73 54.66 1wra s ARG 76 Cb -0.42 0.33 -0.06 0.00 0.52 0.00 0.00 34.95 35.32 1wra s ARG 76 CO 0.44 -0.25 0.53 -2.00 0.02 0.00 0.00 175.30 174.04 1wra s GLU 77 N -3.80 4.19 0.00 3.54 -6.30 -1.26 -2.48 118.70 112.59 1wra s GLU 77 Ca 0.05 0.64 0.00 0.00 -2.50 0.00 0.00 54.97 53.15 1wra s GLU 77 Cb 0.05 -3.28 0.00 0.00 0.00 0.00 0.00 34.13 30.90 1wra s GLU 77 CO -0.11 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1wra n GLY 78 N 2.09 0.39 3.73 -1.50 0.00 -1.26 -4.89 105.19 103.75 1wra n GLY 78 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1wra n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wra n ILE 79 N -2.00 1.12 -3.12 -0.61 5.41 -1.03 -4.95 119.36 114.18 1wra n ILE 79 Ca 0.00 -0.28 -0.36 0.00 1.00 0.00 0.00 62.75 63.10 1wra n ILE 79 Cb 0.00 -1.82 -0.06 0.00 -0.71 0.00 0.00 39.64 37.05 1wra n ILE 79 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1wra s GLU 80 N -0.66 4.25 0.00 0.38 2.56 -1.26 -4.91 118.70 119.07 1wra s GLU 80 Ca 0.64 0.86 0.00 0.00 0.00 0.00 0.00 54.97 56.46 1wra s GLU 80 Cb -0.54 -2.94 0.00 0.00 2.00 0.00 0.00 34.13 32.66 1wra s GLU 80 CO 0.51 0.43 0.00 0.25 -0.56 0.00 0.00 175.26 175.89 1wra n THR 81 N 0.86 0.00 -2.41 -1.70 -2.24 -1.26 -4.82 114.28 102.71 1wra n THR 81 Ca -0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1wra n THR 81 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1wra n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wra s SER 82 N -1.07 7.02 0.57 3.42 0.15 -1.26 -4.92 113.70 117.60 1wra s SER 82 Ca 0.00 1.89 0.28 0.00 0.70 0.00 0.00 55.95 58.82 1wra s SER 82 Cb 0.00 -2.56 1.69 0.00 -1.71 0.00 0.00 66.02 63.44 1wra s SER 82 CO 0.00 -0.60 2.20 1.88 1.20 0.00 0.00 173.24 177.92 1wra h TYR 83 N 7.45 0.00 0.00 3.44 0.99 -1.97 -2.08 116.97 124.80 1wra h TYR 83 Ca -0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.37 1wra h TYR 83 Cb 1.17 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.90 1wra h TYR 83 CO 0.73 0.04 0.00 0.87 -0.00 0.00 0.00 178.16 179.80 1wra h LYS 84 N 0.00 0.00 -0.25 4.88 1.57 -1.97 -2.67 116.57 118.14 1wra h LYS 84 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wra h LYS 84 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1wra h LYS 84 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 1wra n HIS 85 N -2.78 0.31 -3.16 -1.35 8.25 -0.78 -3.86 115.22 111.85 1wra n HIS 85 Ca -0.00 -0.19 -0.39 0.00 -0.26 0.00 0.00 57.72 56.87 1wra n HIS 85 Cb 0.18 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 1wra n HIS 85 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wra s VAL 86 N -1.36 4.97 -1.15 1.59 1.01 -1.01 -4.53 120.40 119.92 1wra s VAL 86 Ca 0.29 1.29 0.16 0.00 0.00 0.00 0.00 61.98 63.72 1wra s VAL 86 Cb 0.18 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1wra s VAL 86 CO 0.25 0.36 0.76 0.18 0.00 0.00 0.00 175.10 176.65 1wra n LEU 87 N 3.14 1.24 -0.28 3.92 4.32 -0.27 -4.73 117.00 124.34 1wra n LEU 87 Ca -0.05 -0.66 0.02 0.00 -0.02 0.00 0.00 56.01 55.30 1wra n LEU 87 Cb 0.51 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.40 1wra n LEU 87 CO 0.45 0.25 0.69 0.74 -1.22 0.00 0.00 177.39 178.30 1wra h THR 88 N 1.04 0.19 -0.51 -5.08 2.02 -1.84 -0.73 112.91 108.00 1wra h THR 88 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1wra h THR 88 Cb 0.46 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1wra h THR 88 CO 0.00 0.00 -0.04 0.44 0.37 0.00 0.00 175.52 176.29 1wra h ASP 89 N -0.01 0.88 -0.31 4.18 3.32 -1.92 -2.38 116.42 120.17 1wra h ASP 89 Ca 0.37 -0.24 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 1wra h ASP 89 Cb 0.58 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1wra h ASP 89 CO -0.82 0.96 -0.47 0.03 -1.72 0.00 0.00 179.24 177.22 1wra h ARG 90 N 0.82 0.87 0.46 3.56 3.08 -1.66 -0.94 114.38 120.56 1wra h ARG 90 Ca 0.15 -0.52 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 1wra h ARG 90 Cb 0.54 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1wra h ARG 90 CO 0.03 1.16 -0.34 0.28 -1.07 0.00 0.00 179.97 180.03 1wra h VAL 91 N 0.65 0.30 -0.44 2.04 2.07 -1.10 -1.70 116.25 118.07 1wra h VAL 91 Ca 0.03 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 1wra h VAL 91 Cb 1.08 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1wra h VAL 91 CO 0.11 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 177.35 1wra h PHE 92 N -0.78 0.84 -0.65 1.57 -1.00 -1.40 -2.01 116.94 113.51 1wra h PHE 92 Ca -0.05 -0.14 -0.05 0.00 2.81 0.00 0.00 57.97 60.54 1wra h PHE 92 Cb 0.66 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 1wra h PHE 92 CO -0.14 0.83 0.22 -0.09 -1.61 0.00 0.00 178.31 177.51 1wra h ARG 93 N 0.71 0.97 -0.13 1.51 2.43 -1.13 -1.67 114.38 117.07 1wra h ARG 93 Ca 0.12 -0.18 -0.19 0.00 -0.81 0.00 0.00 59.98 58.92 1wra h ARG 93 Cb 0.56 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1wra h ARG 93 CO 0.03 0.82 -0.67 -0.09 -1.51 0.00 0.00 179.97 178.55 1wra h ARG 94 N 0.94 0.68 -0.83 0.20 9.65 -1.01 -0.36 114.38 123.66 1wra h ARG 94 Ca 0.21 -0.56 0.01 0.00 -1.10 0.00 0.00 59.98 58.54 1wra h ARG 94 Cb 0.24 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 1wra h ARG 94 CO -0.01 1.18 0.55 -0.07 2.80 0.00 0.00 179.97 184.42 1wra h LEU 95 N 0.36 0.96 -0.28 3.80 3.38 -1.29 -1.02 115.31 121.22 1wra h LEU 95 Ca -0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1wra h LEU 95 Cb 1.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1wra h LEU 95 CO 0.14 0.69 0.05 0.50 0.09 0.00 0.00 178.44 179.91 1wra h LYS 96 N 1.13 0.46 -0.35 1.13 3.64 -1.19 -1.96 116.57 119.42 1wra h LYS 96 Ca 0.30 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1wra h LYS 96 Cb -0.13 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1wra h LYS 96 CO -0.07 0.56 0.23 1.49 -2.27 0.00 0.00 179.45 179.40 1wra h GLU 97 N 0.28 0.33 -0.00 1.90 4.81 -0.88 0.08 114.58 121.09 1wra h GLU 97 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1wra h GLU 97 Cb 0.32 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1wra h GLU 97 CO 0.00 0.22 -0.04 1.28 -0.73 0.00 0.00 179.01 179.75 1wra n LEU 98 N -4.49 0.30 -3.74 1.64 4.77 -0.40 -4.93 117.00 110.16 1wra n LEU 98 Ca 0.03 0.02 -0.26 0.00 -0.03 0.00 0.00 56.01 55.77 1wra n LEU 98 Cb 0.17 -0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1wra n LEU 98 CO 0.35 0.05 0.16 -0.24 -1.33 0.00 0.00 177.39 176.38 1wra n SER 99 N -0.94 -5.21 -4.73 -1.43 2.88 0.01 -4.93 113.62 99.28 1wra n SER 99 Ca 0.18 -0.67 -0.42 0.00 -1.33 0.00 0.00 58.87 56.64 1wra n SER 99 Cb 0.22 -4.47 -0.03 0.00 -0.75 0.00 0.00 64.21 59.19 1wra n SER 99 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wra s VAL 100 N -3.33 2.64 -0.15 2.46 1.01 -0.77 -4.92 120.40 117.33 1wra s VAL 100 Ca 0.57 0.49 0.17 0.00 0.00 0.00 0.00 61.98 63.21 1wra s VAL 100 Cb -0.27 -3.31 -0.24 0.00 0.00 0.00 0.00 36.38 32.56 1wra s VAL 100 CO 0.78 0.06 0.13 0.00 0.00 0.00 0.00 175.10 176.07 1wra n GLN 101 N 3.17 0.92 -3.50 2.72 1.13 -1.26 -4.91 117.38 115.65 1wra n GLN 101 Ca 0.10 -0.04 -0.15 0.00 -1.94 0.00 0.00 57.00 54.97 1wra n GLN 101 Cb 0.39 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.22 1wra n GLN 101 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1wra s LYS 102 N -2.61 1.05 -0.24 -1.09 -2.85 -1.26 -4.50 119.74 108.24 1wra s LYS 102 Ca -0.09 0.05 -0.11 0.00 -1.00 0.00 0.00 55.97 54.82 1wra s LYS 102 Cb 0.07 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.28 1wra s LYS 102 CO 0.77 -0.37 0.20 -0.51 0.10 0.00 0.00 175.35 175.54 1wra s LEU 103 N -1.60 4.11 0.35 2.77 1.43 0.26 -4.44 118.68 121.56 1wra s LEU 103 Ca -0.06 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1wra s LEU 103 Cb -0.00 -2.18 0.65 0.00 0.03 0.00 0.00 46.19 44.69 1wra s LEU 103 CO 0.03 0.03 1.96 0.44 0.23 0.00 0.00 176.35 179.04 1wra h ASP 104 N 7.58 0.61 -5.02 2.29 5.19 -1.17 -1.99 116.42 123.91 1wra h ASP 104 Ca -0.37 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 55.97 1wra h ASP 104 Cb 1.17 -0.15 -0.11 0.00 0.18 0.00 0.00 39.33 40.41 1wra h ASP 104 CO 0.66 0.52 0.15 0.72 -3.12 0.00 0.00 179.24 178.17 1wra s PHE 105 N -5.40 -0.42 -0.13 4.55 -0.71 -1.26 -2.98 117.98 111.63 1wra s PHE 105 Ca -0.09 0.16 0.03 0.00 -1.04 0.00 0.00 56.93 55.99 1wra s PHE 105 Cb 0.17 0.51 0.01 0.00 -1.21 0.00 0.00 43.02 42.49 1wra s PHE 105 CO 0.76 -0.86 -0.22 0.42 -1.34 0.00 0.00 175.22 173.98 1wra s ILE 106 N -3.78 2.04 -0.21 -4.49 1.01 -0.56 -1.85 121.20 113.36 1wra s ILE 106 Ca 0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 1wra s ILE 106 Cb -0.01 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1wra s ILE 106 CO -0.10 0.55 0.05 -0.22 0.00 0.00 0.00 174.94 175.22 1wra s LEU 107 N 0.71 3.56 -0.22 2.97 0.20 0.63 -0.92 118.68 125.61 1wra s LEU 107 Ca -0.10 -0.08 -0.08 0.00 0.69 0.00 0.00 54.13 54.55 1wra s LEU 107 Cb -0.16 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 1wra s LEU 107 CO 0.01 0.07 0.10 -0.69 -0.29 0.00 0.00 176.35 175.54 1wra s VAL 108 N 0.98 4.82 0.06 1.68 1.01 -0.48 -0.47 120.40 128.00 1wra s VAL 108 Ca 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1wra s VAL 108 Cb -0.14 -3.22 -0.31 0.00 0.00 0.00 0.00 36.38 32.71 1wra s VAL 108 CO 0.03 0.39 1.08 0.71 0.00 0.00 0.00 175.10 177.30 1wra h THR 109 N 5.12 1.41 -2.69 3.92 1.35 -1.87 -3.43 112.91 116.73 1wra h THR 109 Ca -0.37 -2.93 0.10 0.00 -0.55 0.00 0.00 66.41 62.66 1wra h THR 109 Cb 1.17 2.98 -0.02 0.00 -1.73 0.00 0.00 68.15 70.55 1wra h THR 109 CO 0.65 0.86 0.48 -1.38 -0.25 0.00 0.00 175.52 175.88 1wra s HIS 110 N -2.63 0.08 -2.41 4.73 -3.43 -1.26 -1.55 115.29 108.81 1wra s HIS 110 Ca -0.06 -0.57 0.29 0.00 -0.80 0.00 0.00 55.06 53.91 1wra s HIS 110 Cb 0.06 0.75 1.20 0.00 -1.43 0.00 0.00 32.58 33.16 1wra s HIS 110 CO 0.91 -1.14 1.83 0.25 -2.00 0.00 0.00 174.74 174.58 1wra n THR 111 N -0.64 0.00 -2.04 -5.38 -2.24 -1.26 -4.23 114.28 98.49 1wra n THR 111 Ca -0.05 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 1wra n THR 111 Cb 0.60 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1wra n THR 111 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wra s HIS 112 N -2.00 2.73 0.44 4.78 3.76 -1.26 -4.41 115.29 119.32 1wra s HIS 112 Ca 0.40 1.42 0.13 0.00 -0.15 0.00 0.00 55.06 56.86 1wra s HIS 112 Cb 0.21 -3.65 1.03 0.00 1.11 0.00 0.00 32.58 31.28 1wra s HIS 112 CO 0.34 -2.15 1.99 0.66 -0.85 0.00 0.00 174.74 174.74 1wra h SER 113 N 2.34 0.36 0.00 1.40 4.64 -1.91 -0.82 113.55 119.56 1wra h SER 113 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1wra h SER 113 Cb 1.26 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1wra h SER 113 CO 0.61 0.22 0.00 -0.90 -0.87 0.00 0.00 176.83 175.90 1wra n ASP 114 N -4.47 0.00 0.00 4.97 5.75 -1.26 -1.06 116.55 120.48 1wra n ASP 114 Ca 0.09 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 1wra n ASP 114 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1wra n ASP 114 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1wra n HIS 115 N -0.85 0.00 1.09 2.11 8.25 -0.40 -1.74 115.22 123.68 1wra n HIS 115 Ca 0.14 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.72 1wra n HIS 115 Cb 0.06 0.04 0.28 0.00 1.12 0.00 0.00 29.99 31.49 1wra n HIS 115 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1wra n ILE 116 N -2.89 0.00 -0.31 1.59 3.06 -0.67 -0.87 119.36 119.27 1wra n ILE 116 Ca 0.00 -0.05 -0.04 0.00 -2.50 0.00 0.00 62.75 60.16 1wra n ILE 116 Cb 0.45 0.35 0.01 0.00 0.54 0.00 0.00 39.64 40.99 1wra n ILE 116 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1wra h GLY 117 N 4.97 -0.09 -1.45 4.50 0.00 -0.70 -1.95 103.07 108.35 1wra h GLY 117 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1wra h GLY 117 CO 0.00 -0.19 0.00 0.70 0.00 0.00 0.00 176.54 177.05 1wra n ASN 118 N -5.44 2.17 -0.09 0.19 3.02 -0.92 -4.49 115.26 109.70 1wra n ASN 118 Ca 0.07 -1.97 -0.09 0.00 -0.03 0.00 0.00 54.58 52.56 1wra n ASN 118 Cb 0.37 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 1wra n ASN 118 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1wra h VAL 119 N 2.44 1.13 -0.48 2.41 2.07 -1.66 -1.14 116.25 121.01 1wra h VAL 119 Ca 0.00 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 1wra h VAL 119 Cb 0.55 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1wra h VAL 119 CO 0.00 0.13 -0.14 -2.24 0.02 0.00 0.00 177.57 175.34 1wra h ASP 120 N 0.38 0.90 -0.79 0.57 2.03 -1.81 -0.52 116.42 117.18 1wra h ASP 120 Ca 0.11 -0.30 0.02 0.00 -0.73 0.00 0.00 57.03 56.13 1wra h ASP 120 Cb 0.05 -0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 38.27 1wra h ASP 120 CO -0.02 1.04 0.52 -0.33 -1.03 0.00 0.00 179.24 179.42 1wra h GLU 121 N 0.80 1.01 -0.27 4.15 3.07 -1.81 -1.97 114.58 119.56 1wra h GLU 121 Ca 0.12 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 1wra h GLU 121 Cb 0.67 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1wra h GLU 121 CO 0.05 0.67 -0.30 -0.07 -1.40 0.00 0.00 179.01 177.96 1wra h LEU 122 N 1.04 0.72 -1.92 1.33 3.38 -0.91 -2.81 115.31 116.13 1wra h LEU 122 Ca 0.30 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1wra h LEU 122 Cb -0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1wra h LEU 122 CO -0.08 1.06 0.17 -0.07 0.09 0.00 0.00 178.44 179.60 1wra h LEU 123 N 0.40 0.09 -0.06 1.67 3.38 -0.81 -0.24 115.31 119.74 1wra h LEU 123 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wra h LEU 123 Cb 0.87 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1wra h LEU 123 CO 0.07 0.06 -0.12 -1.20 0.09 0.00 0.00 178.44 177.34 1wra n SER 124 N -4.49 0.21 -0.00 -0.43 7.64 -0.76 -4.47 113.62 111.32 1wra n SER 124 Ca 0.02 -0.01 -0.04 0.00 1.01 0.00 0.00 58.87 59.85 1wra n SER 124 Cb 0.24 -0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1wra n SER 124 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1wra n THR 125 N -1.33 0.67 -3.90 0.44 -1.04 -0.80 -5.04 114.28 103.28 1wra n THR 125 Ca 0.10 0.10 -0.37 0.00 -2.04 0.00 0.00 64.05 61.84 1wra n THR 125 Cb 0.31 -1.63 -0.06 0.00 -1.82 0.00 0.00 70.33 67.13 1wra n THR 125 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1wra s TYR 126 N -2.12 3.58 -0.28 -1.42 1.51 -0.17 -5.10 117.35 113.35 1wra s TYR 126 Ca -0.06 0.50 -0.37 0.00 -1.01 0.00 0.00 57.07 56.13 1wra s TYR 126 Cb 0.02 -1.92 -0.16 0.00 -0.11 0.00 0.00 41.96 39.78 1wra s TYR 126 CO 0.08 0.72 1.18 -2.30 -1.11 0.00 0.00 175.55 174.12 1wra n PRO 127 N 1.88 0.00 -4.02 -1.71 -0.02 -1.26 -4.52 135.00 125.35 1wra n PRO 127 Ca -0.19 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.08 1wra n PRO 127 Cb 0.55 -1.24 -0.17 0.00 -0.02 0.00 0.00 33.50 32.62 1wra n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wra s VAL 128 N 1.70 0.47 -0.01 -1.45 1.01 -1.26 -0.57 120.40 120.29 1wra s VAL 128 Ca 0.83 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.89 1wra s VAL 128 Cb -1.18 -0.54 -0.18 0.00 0.00 0.00 0.00 36.38 34.48 1wra s VAL 128 CO 0.61 0.23 0.97 0.44 0.00 0.00 0.00 175.10 177.35 1wra h ASP 129 N 7.55 0.00 -2.63 3.32 3.32 -1.45 -3.45 116.42 123.08 1wra h ASP 129 Ca -0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1wra h ASP 129 Cb 1.14 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.70 1wra h ASP 129 CO 0.41 0.90 0.25 -2.11 -1.72 0.00 0.00 179.24 176.96 1wra n ARG 130 N -3.15 0.93 -4.55 3.56 1.85 -1.16 -4.31 116.66 109.83 1wra n ARG 130 Ca -0.08 -1.83 -0.26 0.00 -1.00 0.00 0.00 57.85 54.68 1wra n ARG 130 Cb 0.95 2.29 -0.17 0.00 -1.05 0.00 0.00 32.46 34.49 1wra n ARG 130 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wra s VAL 131 N -2.24 1.26 -0.24 8.89 1.01 -0.17 -1.50 120.40 127.41 1wra s VAL 131 Ca 0.14 -0.53 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1wra s VAL 131 Cb -0.04 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1wra s VAL 131 CO 0.10 0.39 0.63 -0.31 0.00 0.00 0.00 175.10 175.90 1wra s TYR 132 N 0.79 3.31 -0.26 5.22 2.02 -0.10 -0.37 117.35 127.95 1wra s TYR 132 Ca -0.12 0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 57.42 1wra s TYR 132 Cb -0.16 -2.83 0.14 0.00 -0.40 0.00 0.00 41.96 38.72 1wra s TYR 132 CO 0.02 -0.28 0.37 -1.17 -1.57 0.00 0.00 175.55 172.92 1wra s LEU 133 N 2.35 -0.62 0.93 -1.29 0.20 -0.64 -1.38 118.68 118.24 1wra s LEU 133 Ca 0.27 -0.13 -0.11 0.00 0.69 0.00 0.00 54.13 54.85 1wra s LEU 133 Cb -0.16 1.01 0.15 0.00 -0.43 0.00 0.00 46.19 46.77 1wra s LEU 133 CO 0.09 -0.33 1.09 -0.54 -0.29 0.00 0.00 176.35 176.37 1wra s LYS 134 N 2.51 0.93 0.36 1.98 1.02 -1.26 -3.95 119.74 121.33 1wra s LYS 134 Ca 0.11 1.08 -0.27 0.00 0.02 0.00 0.00 55.97 56.91 1wra s LYS 134 Cb -0.14 -1.75 -0.09 0.00 -0.52 0.00 0.00 37.83 35.33 1wra s LYS 134 CO -0.23 -2.54 1.19 0.15 -0.92 0.00 0.00 175.35 173.00 1wra s LYS 135 N -4.76 4.24 0.01 1.68 1.02 -1.26 -5.00 119.74 115.66 1wra s LYS 135 Ca 0.65 1.93 0.02 0.00 0.02 0.00 0.00 55.97 58.59 1wra s LYS 135 Cb -0.20 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 1wra s LYS 135 CO 0.58 -0.19 -0.05 -0.47 -0.92 0.00 0.00 175.35 174.30 1wra s TYR 136 N -1.29 0.47 -0.06 3.18 6.14 -1.26 -5.06 117.35 119.47 1wra s TYR 136 Ca 0.53 -0.20 -0.09 0.00 0.64 0.00 0.00 57.07 57.94 1wra s TYR 136 Cb -0.33 -0.30 0.02 0.00 0.42 0.00 0.00 41.96 41.77 1wra s TYR 136 CO 0.43 -0.03 0.24 -1.54 0.64 0.00 0.00 175.55 175.28 1wra s SER 137 N -0.54 -0.19 0.41 4.32 1.04 -1.26 -5.02 113.70 112.46 1wra s SER 137 Ca -0.02 0.29 0.11 0.00 0.48 0.00 0.00 55.95 56.81 1wra s SER 137 Cb -0.04 0.42 0.92 0.00 0.10 0.00 0.00 66.02 67.42 1wra s SER 137 CO -0.00 -0.20 1.97 0.44 0.98 0.00 0.00 173.24 176.43 1wra h ASP 138 N 5.16 0.48 0.22 7.02 3.32 -1.99 -2.53 116.42 128.09 1wra h ASP 138 Ca -0.27 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1wra h ASP 138 Cb 1.19 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1wra h ASP 138 CO 0.37 0.29 -0.05 0.77 -1.72 0.00 0.00 179.24 178.90 1wra h SER 139 N 0.54 0.00 0.86 6.45 4.64 -2.00 -1.93 113.55 122.11 1wra h SER 139 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1wra h SER 139 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1wra h SER 139 CO -0.09 0.05 -0.24 -2.11 -0.87 0.00 0.00 176.83 173.57 1wra n ARG 140 N -3.55 0.06 -3.25 4.77 -4.01 -0.95 -4.73 116.66 105.00 1wra n ARG 140 Ca -0.02 0.03 -0.40 0.00 -1.04 0.00 0.00 57.85 56.42 1wra n ARG 140 Cb 0.16 -1.55 -0.07 0.00 -3.04 0.00 0.00 32.46 27.95 1wra n ARG 140 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 1wra s ILE 141 N -3.03 5.09 -1.27 8.89 -1.09 -0.73 -1.00 121.20 128.06 1wra s ILE 141 Ca 0.12 0.89 0.26 0.00 -2.23 0.00 0.00 60.65 59.69 1wra s ILE 141 Cb 0.17 -3.83 0.37 0.00 -1.58 0.00 0.00 42.46 37.60 1wra s ILE 141 CO 0.62 0.12 1.88 0.35 -1.23 0.00 0.00 174.94 176.68 1wra n THR 142 N 4.96 0.16 -4.03 2.92 -2.24 -0.63 -4.65 114.28 110.77 1wra n THR 142 Ca -0.04 0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 1wra n THR 142 Cb 0.50 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 67.98 1wra n THR 142 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wra s ASN 143 N -2.73 3.69 0.49 3.42 0.01 -1.26 -4.99 114.94 113.56 1wra s ASN 143 Ca 0.20 -1.01 0.16 0.00 -0.71 0.00 0.00 52.86 51.50 1wra s ASN 143 Cb 0.18 -1.36 1.17 0.00 0.41 0.00 0.00 41.25 41.64 1wra s ASN 143 CO 0.43 -0.14 2.08 0.28 -1.51 0.00 0.00 177.10 178.24 1wra h SER 144 N 7.91 0.00 0.12 -1.22 0.02 -1.96 -0.81 113.55 117.61 1wra h SER 144 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1wra h SER 144 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1wra h SER 144 CO 0.49 0.09 0.00 -0.62 -1.14 0.00 0.00 176.83 175.65 1wra n GLU 145 N -4.40 0.31 -0.60 3.45 4.71 -1.26 -3.03 120.64 119.82 1wra n GLU 145 Ca -0.03 0.08 0.06 0.00 -0.01 0.00 0.00 57.16 57.27 1wra n GLU 145 Cb 0.16 -1.50 0.18 0.00 -1.01 0.00 0.00 31.44 29.27 1wra n GLU 145 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1wra n ARG 146 N -1.14 1.35 -0.04 3.49 1.74 -0.31 -4.65 116.66 117.10 1wra n ARG 146 Ca 0.08 -3.02 -0.12 0.00 -0.77 0.00 0.00 57.85 54.02 1wra n ARG 146 Cb 0.08 -1.42 -0.14 0.00 -1.02 0.00 0.00 32.46 29.95 1wra n ARG 146 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wra n LEU 147 N -0.99 1.24 0.00 0.55 4.77 -1.17 -4.78 117.00 116.61 1wra n LEU 147 Ca 0.17 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1wra n LEU 147 Cb 0.73 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1wra n LEU 147 CO -0.03 0.55 0.00 0.79 -1.33 0.00 0.00 177.39 177.37 1wra n TRP 148 N -3.10 0.00 0.82 -1.77 8.01 -1.26 -1.15 117.44 118.99 1wra n TRP 148 Ca -0.25 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.03 1wra n TRP 148 Cb 1.07 0.00 0.05 0.00 -2.01 0.00 0.00 31.31 30.42 1wra n TRP 148 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1wra n ASP 149 N 2.40 2.32 -0.03 -0.99 2.03 -1.26 -4.77 116.55 116.24 1wra n ASP 149 Ca 0.00 -1.66 -0.10 0.00 0.52 0.00 0.00 54.79 53.54 1wra n ASP 149 Cb 0.00 0.17 -0.04 0.00 -0.72 0.00 0.00 41.12 40.53 1wra n ASP 149 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1wra h ASN 150 N 3.19 0.20 -0.35 1.67 2.35 -1.35 -2.77 115.58 118.53 1wra h ASN 150 Ca 0.00 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 1wra h ASN 150 Cb 0.75 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1wra h ASN 150 CO 0.00 0.19 -0.08 0.25 -1.65 0.00 0.00 177.43 176.14 1wra h LEU 151 N 0.20 0.68 -0.45 1.61 6.46 -1.86 -0.22 115.31 121.72 1wra h LEU 151 Ca 0.06 -0.36 0.08 0.00 -0.12 0.00 0.00 57.88 57.54 1wra h LEU 151 Cb 0.02 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 39.70 1wra h LEU 151 CO -0.01 0.88 0.01 0.22 -0.62 0.00 0.00 178.44 178.92 1wra h TYR 152 N 0.46 -0.01 -0.46 1.25 5.03 -1.89 -0.44 116.97 120.92 1wra h TYR 152 Ca 0.09 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.31 1wra h TYR 152 Cb 0.58 0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 1wra h TYR 152 CO 0.05 -0.09 -0.18 0.78 -1.32 0.00 0.00 178.16 177.40 1wra h GLY 153 N 0.12 1.01 0.30 1.82 0.00 -1.21 -1.42 103.07 103.69 1wra h GLY 153 Ca 0.23 -0.88 0.09 0.00 0.00 0.00 0.00 47.33 46.77 1wra h GLY 153 CO -0.37 0.80 0.12 -1.82 0.00 0.00 0.00 176.54 175.27 1wra h TYR 154 N 0.77 0.19 0.10 5.60 3.20 -0.53 -2.70 116.97 123.60 1wra h TYR 154 Ca 0.11 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 61.69 1wra h TYR 154 Cb 0.75 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 1wra h TYR 154 CO 0.05 -0.01 -1.70 -0.44 -1.64 0.00 0.00 178.16 174.43 1wra h ASP 155 N 0.26 0.33 -0.90 -2.11 3.32 -0.88 -1.85 116.42 114.59 1wra h ASP 155 Ca 0.27 -0.56 0.15 0.00 0.02 0.00 0.00 57.03 56.91 1wra h ASP 155 Cb 0.38 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 1wra h ASP 155 CO -0.35 1.49 0.58 0.11 -1.72 0.00 0.00 179.24 179.35 1wra h LYS 156 N 0.06 0.66 -0.05 3.56 1.79 -1.16 0.44 116.57 121.86 1wra h LYS 156 Ca -0.30 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1wra h LYS 156 Cb 2.02 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 32.52 1wra h LYS 156 CO 0.13 0.43 -0.02 0.28 -1.08 0.00 0.00 179.45 179.19 1wra h VAL 157 N 0.67 1.32 -0.29 0.50 2.07 -1.01 -2.13 116.25 117.38 1wra h VAL 157 Ca 0.46 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1wra h VAL 157 Cb 0.77 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1wra h VAL 157 CO -0.22 0.27 0.13 -0.07 0.02 0.00 0.00 177.57 177.71 1wra h LEU 158 N -0.28 0.38 -0.30 2.57 3.38 -0.90 -0.94 115.31 119.22 1wra h LEU 158 Ca 0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1wra h LEU 158 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1wra h LEU 158 CO 0.01 0.41 -0.04 1.56 0.09 0.00 0.00 178.44 180.46 1wra h GLN 159 N 0.33 0.55 -0.36 1.13 4.20 -1.04 -2.00 115.11 117.93 1wra h GLN 159 Ca 0.10 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 1wra h GLN 159 Cb 0.13 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1wra h GLN 159 CO -0.01 0.73 -0.28 1.15 -0.67 0.00 0.00 178.83 179.75 1wra h THR 160 N 0.33 1.28 -0.29 -0.54 2.02 -1.32 -1.92 112.91 112.46 1wra h THR 160 Ca 0.08 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 65.76 1wra h THR 160 Cb 0.51 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1wra h THR 160 CO 0.02 0.47 -0.20 0.00 0.37 0.00 0.00 175.52 176.18 1wra h ALA 161 N 1.04 1.13 -0.22 6.16 0.00 -1.13 -1.18 119.26 125.06 1wra h ALA 161 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1wra h ALA 161 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1wra h ALA 161 CO 0.07 0.54 0.08 1.15 0.00 0.00 0.00 179.25 181.09 1wra h THR 162 N 0.47 1.17 -0.67 0.00 2.02 -1.06 0.15 112.91 114.99 1wra h THR 162 Ca 0.08 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1wra h THR 162 Cb 0.61 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1wra h THR 162 CO 0.04 0.17 0.40 -0.33 0.37 0.00 0.00 175.52 176.17 1wra h GLU 163 N 0.19 0.91 -0.21 6.66 5.08 -1.05 -2.68 114.58 123.47 1wra h GLU 163 Ca 0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wra h GLU 163 Cb 0.18 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1wra h GLU 163 CO -0.01 0.64 0.00 0.25 -1.00 0.00 0.00 179.01 178.89 1wra n THR 164 N -4.40 0.25 -2.57 1.13 -2.24 -0.47 -4.97 114.28 101.02 1wra n THR 164 Ca 0.07 -0.63 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 1wra n THR 164 Cb 0.07 1.24 0.01 0.00 -2.10 0.00 0.00 70.33 69.56 1wra n THR 164 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wra n GLY 165 N 1.44 -0.11 3.73 3.38 0.00 0.11 -5.01 105.19 108.73 1wra n GLY 165 Ca 0.17 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1wra n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wra s VAL 166 N -2.84 5.37 0.20 1.61 1.01 0.31 -5.02 120.40 121.04 1wra s VAL 166 Ca 0.13 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 1wra s VAL 166 Cb -0.06 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 1wra s VAL 166 CO 0.16 0.43 1.42 -0.44 0.00 0.00 0.00 175.10 176.66 1wra s SER 167 N 0.35 6.73 -0.22 3.32 0.01 -1.26 -4.56 113.70 118.07 1wra s SER 167 Ca 0.11 2.54 -0.01 0.00 1.31 0.00 0.00 55.95 59.90 1wra s SER 167 Cb -0.12 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.52 1wra s SER 167 CO 0.00 -0.67 -0.11 -0.69 0.41 0.00 0.00 173.24 172.19 1wra s VAL 168 N 0.36 2.69 -0.56 3.43 1.01 -1.26 -1.00 120.40 125.07 1wra s VAL 168 Ca 0.61 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 1wra s VAL 168 Cb -0.40 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 33.76 1wra s VAL 168 CO 0.38 0.36 0.90 -0.63 0.00 0.00 0.00 175.10 176.11 1wra s ILE 169 N 1.34 4.44 -0.15 2.22 -1.09 0.50 -4.88 121.20 123.59 1wra s ILE 169 Ca 0.03 0.11 0.15 0.00 -2.23 0.00 0.00 60.65 58.70 1wra s ILE 169 Cb -0.15 -4.52 -0.20 0.00 -1.58 0.00 0.00 42.46 36.00 1wra s ILE 169 CO -0.07 -1.11 0.08 0.00 -1.23 0.00 0.00 174.94 172.61 1wra n GLN 170 N 7.32 1.31 -3.48 2.79 6.02 -1.25 -1.61 117.38 128.47 1wra n GLN 170 Ca 0.00 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 1wra n GLN 170 Cb 0.47 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 30.27 1wra n GLN 170 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1wra s ASN 171 N -4.91 6.25 -0.44 1.08 0.01 -1.26 -4.26 114.94 111.40 1wra s ASN 171 Ca -0.08 -2.90 -0.23 0.00 -0.71 0.00 0.00 52.86 48.94 1wra s ASN 171 Cb 0.05 -2.07 0.02 0.00 0.41 0.00 0.00 41.25 39.67 1wra s ASN 171 CO 0.67 -0.45 0.79 -0.63 -1.51 0.00 0.00 177.10 175.96 1wra s ILE 172 N -0.15 4.65 1.05 0.60 1.01 -1.26 -5.03 121.20 122.06 1wra s ILE 172 Ca 0.19 0.47 -0.17 0.00 0.00 0.00 0.00 60.65 61.14 1wra s ILE 172 Cb -0.13 -4.32 0.23 0.00 0.01 0.00 0.00 42.46 38.26 1wra s ILE 172 CO -0.07 -0.70 1.27 0.42 0.00 0.00 0.00 174.94 175.86 1wra s THR 173 N 3.29 1.87 0.44 2.92 -4.23 -1.26 -4.68 115.64 113.99 1wra s THR 173 Ca 0.30 0.00 0.38 0.00 -1.18 0.00 0.00 61.69 61.19 1wra s THR 173 Cb -0.12 -2.86 0.40 0.00 1.34 0.00 0.00 72.50 71.27 1wra s THR 173 CO 0.22 0.00 2.20 -0.61 -0.54 0.00 0.00 174.62 175.89 1wra h GLN 174 N -1.97 0.00 0.00 3.99 4.15 -1.98 -2.25 115.11 117.05 1wra h GLN 174 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1wra h GLN 174 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1wra h GLN 174 CO 0.34 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 177.67 1wra n GLY 175 N -0.66 0.74 2.79 2.39 0.00 -1.26 -3.93 105.19 105.26 1wra n GLY 175 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1wra n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wra n ASP 176 N 0.00 0.00 -0.44 1.61 8.00 -1.26 -3.17 116.55 121.29 1wra n ASP 176 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1wra n ASP 176 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.39 1wra n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wra n ALA 177 N 0.00 3.02 -3.28 2.24 0.00 -0.84 -4.53 120.51 117.12 1wra n ALA 177 Ca 0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 53.44 52.60 1wra n ALA 177 Cb 0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.28 1wra n ALA 177 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wra s HIS 178 N -2.33 2.82 0.24 0.00 5.65 -1.19 -0.23 115.29 120.25 1wra s HIS 178 Ca 0.26 -0.83 -0.21 0.00 0.25 0.00 0.00 55.06 54.54 1wra s HIS 178 Cb 0.19 -1.90 0.06 0.00 -1.18 0.00 0.00 32.58 29.76 1wra s HIS 178 CO 0.47 -0.35 0.94 -0.59 -0.65 0.00 0.00 174.74 174.55 1wra s PHE 179 N 0.68 0.02 -0.04 3.88 -0.12 -0.93 -4.76 117.98 116.72 1wra s PHE 179 Ca -0.06 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.37 1wra s PHE 179 Cb -0.15 0.72 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1wra s PHE 179 CO 0.02 -1.09 -0.14 -0.65 -0.05 0.00 0.00 175.22 173.31 1wra s GLN 180 N -2.57 1.50 -0.27 1.99 -1.52 -1.26 -1.33 119.66 116.20 1wra s GLN 180 Ca 0.17 -0.48 -0.04 0.00 -1.95 0.00 0.00 55.36 53.06 1wra s GLN 180 Cb -0.03 -1.32 0.09 0.00 -0.22 0.00 0.00 33.01 31.53 1wra s GLN 180 CO 0.06 0.17 0.11 0.12 -0.25 0.00 0.00 175.29 175.51 1wra s PHE 181 N 0.17 0.55 0.00 0.91 5.36 0.09 -4.97 117.98 120.09 1wra s PHE 181 Ca -0.05 -0.91 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 1wra s PHE 181 Cb -0.11 -0.99 0.00 0.00 -0.34 0.00 0.00 43.02 41.58 1wra s PHE 181 CO 0.02 -0.77 0.00 0.41 -1.46 0.00 0.00 175.22 173.42 1wra n GLY 182 N 5.18 3.62 0.02 13.12 0.00 -1.26 -0.29 105.19 125.57 1wra n GLY 182 Ca -0.06 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1wra n GLY 182 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wra n ASP 183 N 5.16 0.10 -4.76 1.61 8.00 -1.26 -4.91 116.55 120.49 1wra n ASP 183 Ca 0.00 0.04 -0.39 0.00 0.71 0.00 0.00 54.79 55.15 1wra n ASP 183 Cb 0.00 -0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 40.75 1wra n ASP 183 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1wra s MET 184 N -2.76 4.46 -0.23 -1.24 -1.94 0.60 -4.75 119.30 113.45 1wra s MET 184 Ca 0.22 1.01 -0.13 0.00 -1.71 0.00 0.00 55.69 55.08 1wra s MET 184 Cb 0.20 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 1wra s MET 184 CO 0.51 0.39 0.27 0.34 -0.01 0.00 0.00 175.02 176.52 1wra s ASP 185 N -0.42 6.26 -0.12 3.03 2.15 0.08 -0.73 116.67 126.93 1wra s ASP 185 Ca 0.36 0.29 0.02 0.00 0.43 0.00 0.00 52.55 53.65 1wra s ASP 185 Cb -0.21 -2.17 -0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1wra s ASP 185 CO 0.23 -0.01 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.38 1wra s ILE 186 N 1.24 2.39 -0.13 4.11 1.01 -0.44 -0.68 121.20 128.70 1wra s ILE 186 Ca 0.13 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1wra s ILE 186 Cb -0.14 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.39 1wra s ILE 186 CO 0.06 0.54 -0.19 -1.58 0.00 0.00 0.00 174.94 173.78 1wra s GLN 187 N 0.43 2.64 0.26 2.79 2.00 -0.54 -2.18 119.66 125.06 1wra s GLN 187 Ca -0.14 -0.71 -0.09 0.00 -2.00 0.00 0.00 55.36 52.41 1wra s GLN 187 Cb -0.17 -2.18 -0.07 0.00 0.80 0.00 0.00 33.01 31.40 1wra s GLN 187 CO 0.06 -0.04 0.58 -0.51 -0.50 0.00 0.00 175.29 174.88 1wra s LEU 188 N 0.91 4.11 0.11 3.68 1.43 0.67 -0.84 118.68 128.76 1wra s LEU 188 Ca -0.07 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 53.99 1wra s LEU 188 Cb -0.15 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 1wra s LEU 188 CO -0.02 -0.13 -0.11 -0.31 0.23 0.00 0.00 176.35 176.01 1wra s TYR 189 N -1.93 1.16 -1.37 0.29 2.02 -0.34 -4.87 117.35 112.31 1wra s TYR 189 Ca 0.47 -0.68 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 1wra s TYR 189 Cb -0.11 -0.62 0.03 0.00 -0.40 0.00 0.00 41.96 40.86 1wra s TYR 189 CO 0.24 0.04 0.86 -1.71 -1.57 0.00 0.00 175.55 173.40 1wra n ASN 190 N 0.33 -2.88 -0.01 2.29 5.15 -1.26 -1.48 115.26 117.41 1wra n ASN 190 Ca -0.14 -0.76 0.10 0.00 -0.60 0.00 0.00 54.58 53.17 1wra n ASN 190 Cb 0.58 -4.19 -0.14 0.00 -0.53 0.00 0.00 39.78 35.51 1wra n ASN 190 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wra n TYR 191 N -4.46 0.00 -2.55 1.20 0.18 -1.26 -4.40 117.16 105.87 1wra n TYR 191 Ca -0.16 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.25 1wra n TYR 191 Cb 0.62 -0.27 -0.04 0.00 -0.38 0.00 0.00 39.34 39.27 1wra n TYR 191 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1wra s GLU 192 N -3.15 4.26 -0.39 -3.48 2.02 -1.26 -4.50 118.70 112.20 1wra s GLU 192 Ca -0.01 1.55 -0.26 0.00 0.02 0.00 0.00 54.97 56.26 1wra s GLU 192 Cb 0.13 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.73 1wra s GLU 192 CO 0.81 -0.06 0.96 -0.80 0.02 0.00 0.00 175.26 176.19 1wra s ASN 193 N -1.46 6.66 -0.13 -0.19 0.01 -1.26 -5.01 114.94 113.55 1wra s ASN 193 Ca 0.55 0.52 -0.20 0.00 -0.71 0.00 0.00 52.86 53.02 1wra s ASN 193 Cb -0.23 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 1wra s ASN 193 CO 0.29 -0.94 0.57 -1.61 -1.51 0.00 0.00 177.10 173.89 1wra s GLU 194 N 3.66 4.32 0.11 -0.60 2.02 -1.26 -5.04 118.70 121.92 1wra s GLU 194 Ca 0.40 0.58 0.09 0.00 0.02 0.00 0.00 54.97 56.05 1wra s GLU 194 Cb -0.11 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 1wra s GLU 194 CO 0.21 0.02 -0.21 0.95 0.02 0.00 0.00 175.26 176.25 1wra s THR 195 N 1.04 1.78 0.29 3.63 -4.23 -1.26 -1.08 115.64 115.81 1wra s THR 195 Ca 0.29 -1.60 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 1wra s THR 195 Cb -0.16 -1.63 0.07 0.00 1.34 0.00 0.00 72.50 72.12 1wra s THR 195 CO 0.12 -0.06 0.40 -0.90 -0.54 0.00 0.00 174.62 173.63 1wra n ASP 196 N 1.01 0.05 -4.32 3.99 5.68 -0.17 -4.75 116.55 118.03 1wra n ASP 196 Ca -0.19 -1.15 -0.43 0.00 -0.50 0.00 0.00 54.79 52.51 1wra n ASP 196 Cb 0.54 -0.30 -0.08 0.00 -1.14 0.00 0.00 41.12 40.14 1wra n ASP 196 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1wra s SER 197 N -2.45 5.99 0.00 -1.12 1.04 -1.26 0.19 113.70 116.09 1wra s SER 197 Ca 0.23 -1.56 0.23 0.00 0.48 0.00 0.00 55.95 55.33 1wra s SER 197 Cb -0.01 -2.13 0.26 0.00 0.10 0.00 0.00 66.02 64.25 1wra s SER 197 CO 0.16 -0.68 1.28 -1.54 0.98 0.00 0.00 173.24 173.44 1wra n SER 198 N 5.12 3.09 -3.21 7.02 3.41 -1.26 -5.09 113.62 122.69 1wra n SER 198 Ca -0.12 -1.96 -0.17 0.00 -0.26 0.00 0.00 58.87 56.36 1wra n SER 198 Cb 0.42 -0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1wra n SER 198 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wra n GLY 199 N 1.35 -0.93 0.78 5.00 0.00 0.13 -5.00 105.19 106.52 1wra n GLY 199 Ca 0.15 0.96 0.00 0.00 0.00 0.00 0.00 46.02 47.13 1wra n GLY 199 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wra n GLU 200 N -0.98 -0.07 -1.61 1.61 -0.58 -1.26 -4.81 120.64 112.95 1wra n GLU 200 Ca -0.03 0.06 -0.47 0.00 -0.42 0.00 0.00 57.16 56.30 1wra n GLU 200 Cb 0.56 -0.20 -0.03 0.00 -0.57 0.00 0.00 31.44 31.20 1wra n GLU 200 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wra n LEU 201 N 1.66 2.01 -4.74 -4.62 4.32 -1.26 -1.00 117.00 113.36 1wra n LEU 201 Ca 0.00 1.15 -0.42 0.00 -0.02 0.00 0.00 56.01 56.72 1wra n LEU 201 Cb 0.00 -1.29 -0.00 0.00 -1.62 0.00 0.00 43.42 40.51 1wra n LEU 201 CO 0.00 -1.10 1.05 1.17 -1.22 0.00 0.00 177.39 177.29 1wra n LYS 202 N 1.62 2.46 -2.17 3.23 4.81 -0.24 -4.70 118.16 123.17 1wra n LYS 202 Ca 0.13 0.86 -0.42 0.00 -0.87 0.00 0.00 58.31 58.01 1wra n LYS 202 Cb 0.28 -2.54 -0.03 0.00 0.02 0.00 0.00 35.03 32.76 1wra n LYS 202 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1wra s LYS 203 N -1.86 4.33 0.17 1.64 -0.14 -1.26 -4.89 119.74 117.72 1wra s LYS 203 Ca 0.55 2.08 0.05 0.00 -1.36 0.00 0.00 55.97 57.29 1wra s LYS 203 Cb -0.52 -3.24 -0.05 0.00 -1.68 0.00 0.00 37.83 32.35 1wra s LYS 203 CO 0.62 -0.41 -0.10 0.96 -0.76 0.00 0.00 175.35 175.66 1wra s ILE 204 N 0.94 1.25 -0.23 2.17 -4.36 -0.17 -4.99 121.20 115.81 1wra s ILE 204 Ca 0.63 -2.08 0.26 0.00 -0.26 0.00 0.00 60.65 59.20 1wra s ILE 204 Cb -0.37 -1.95 0.33 0.00 1.25 0.00 0.00 42.46 41.72 1wra s ILE 204 CO 0.32 -0.66 1.72 4.11 0.24 0.00 0.00 174.94 180.66 1wra h TRP 205 N 2.70 0.00 -1.51 1.37 5.08 -1.96 -1.68 115.95 119.94 1wra h TRP 205 Ca -0.37 0.00 0.09 0.00 1.08 0.00 0.00 58.89 59.69 1wra h TRP 205 Cb 1.20 0.00 -0.24 0.00 -3.00 0.00 0.00 29.16 27.12 1wra h TRP 205 CO 0.65 0.05 0.57 0.34 -1.28 0.00 0.00 178.44 178.77 1wra s ASP 206 N -6.08 -0.35 0.28 0.11 -1.08 -1.26 -4.32 116.67 103.97 1wra s ASP 206 Ca 0.05 0.47 0.23 0.00 -0.52 0.00 0.00 52.55 52.78 1wra s ASP 206 Cb 0.07 0.41 1.05 0.00 -1.46 0.00 0.00 42.92 42.98 1wra s ASP 206 CO 0.64 -0.26 1.71 -0.67 0.52 0.00 0.00 175.17 177.10 1wra n ASP 207 N 1.09 0.66 -0.26 -0.34 2.03 -1.26 -2.45 116.55 116.02 1wra n ASP 207 Ca -0.10 0.70 0.10 0.00 0.52 0.00 0.00 54.79 56.01 1wra n ASP 207 Cb 0.57 -0.83 0.36 0.00 -0.72 0.00 0.00 41.12 40.51 1wra n ASP 207 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1wra h ASN 208 N 0.00 0.69 0.65 1.67 2.35 -1.97 -1.11 115.58 117.86 1wra h ASN 208 Ca 0.00 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1wra h ASN 208 Cb 0.26 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1wra h ASN 208 CO 0.00 0.37 -0.08 0.28 -1.65 0.00 0.00 177.43 176.36 1wra h SER 209 N 0.74 0.00 -0.12 5.81 0.02 -1.72 -1.96 113.55 116.31 1wra h SER 209 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1wra h SER 209 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1wra h SER 209 CO -0.19 0.08 0.00 -3.20 -1.14 0.00 0.00 176.83 172.38 1wra n ASN 210 N -3.30 1.01 -4.73 3.07 5.15 -0.42 -4.85 115.26 111.19 1wra n ASN 210 Ca -0.01 -1.69 -0.42 0.00 -0.60 0.00 0.00 54.58 51.86 1wra n ASN 210 Cb 0.27 -0.08 -0.02 0.00 -0.53 0.00 0.00 39.78 39.42 1wra n ASN 210 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wra n SER 211 N -0.07 3.93 -4.65 1.20 7.64 -0.74 -4.85 113.62 116.07 1wra n SER 211 Ca 0.13 1.10 -0.42 0.00 1.01 0.00 0.00 58.87 60.68 1wra n SER 211 Cb 0.21 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.80 1wra n SER 211 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1wra s LEU 212 N 0.49 4.09 0.02 -3.43 2.96 -0.59 -4.81 118.68 117.40 1wra s LEU 212 Ca 0.71 1.20 -0.17 0.00 -0.22 0.00 0.00 54.13 55.65 1wra s LEU 212 Cb -0.50 -3.35 -0.06 0.00 0.50 0.00 0.00 46.19 42.77 1wra s LEU 212 CO 0.39 -0.58 0.47 -0.63 -1.32 0.00 0.00 176.35 174.68 1wra s ILE 213 N 2.97 4.94 -0.09 6.68 1.01 -0.55 -4.47 121.20 131.69 1wra s ILE 213 Ca 0.39 0.99 0.03 0.00 0.00 0.00 0.00 60.65 62.05 1wra s ILE 213 Cb -0.15 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1wra s ILE 213 CO 0.07 0.55 -0.16 -0.44 0.00 0.00 0.00 174.94 174.95 1wra s SER 214 N -0.93 2.35 -0.22 3.58 0.01 -0.06 -1.20 113.70 117.24 1wra s SER 214 Ca 0.26 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 1wra s SER 214 Cb -0.18 -1.07 -0.01 0.00 0.21 0.00 0.00 66.02 64.97 1wra s SER 214 CO 0.15 0.06 -0.03 -0.69 0.41 0.00 0.00 173.24 173.14 1wra s VAL 215 N 0.69 3.48 -0.19 3.43 1.01 -0.02 -0.80 120.40 128.01 1wra s VAL 215 Ca -0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1wra s VAL 215 Cb -0.16 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1wra s VAL 215 CO 0.03 0.42 -0.02 -0.69 0.00 0.00 0.00 175.10 174.84 1wra s VAL 216 N 1.41 3.84 -0.14 2.92 1.01 0.15 -1.46 120.40 128.12 1wra s VAL 216 Ca 0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1wra s VAL 216 Cb -0.14 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1wra s VAL 216 CO -0.02 0.45 -0.22 -0.75 0.00 0.00 0.00 175.10 174.56 1wra s LYS 217 N 0.82 3.02 -0.06 2.72 2.20 0.14 -0.19 119.74 128.40 1wra s LYS 217 Ca -0.00 -0.85 -0.28 0.00 -0.36 0.00 0.00 55.97 54.47 1wra s LYS 217 Cb -0.14 -2.45 0.06 0.00 -1.51 0.00 0.00 37.83 33.79 1wra s LYS 217 CO 0.02 -0.03 0.63 0.54 -0.36 0.00 0.00 175.35 176.15 1wra s VAL 218 N 0.86 0.01 -1.30 4.02 0.11 -0.78 -0.74 120.40 122.58 1wra s VAL 218 Ca -0.06 -0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.88 1wra s VAL 218 Cb -0.15 -0.94 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1wra s VAL 218 CO -0.03 -0.03 0.31 0.59 -3.33 0.00 0.00 175.10 172.60 1wra n ASN 219 N 1.06 -4.45 -0.08 3.54 3.02 -1.26 -0.68 115.26 116.42 1wra n ASN 219 Ca -0.19 -0.13 -0.01 0.00 -0.03 0.00 0.00 54.58 54.22 1wra n ASN 219 Cb 0.57 -3.69 -0.00 0.00 -0.61 0.00 0.00 39.78 36.05 1wra n ASN 219 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wra n GLY 220 N -1.11 0.43 3.50 7.41 0.00 -1.26 -4.07 105.19 110.09 1wra n GLY 220 Ca -0.10 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1wra n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wra s LYS 221 N -0.90 1.88 -0.06 1.61 -0.14 0.14 -5.07 119.74 117.19 1wra s LYS 221 Ca 0.00 -1.13 0.05 0.00 -1.36 0.00 0.00 55.97 53.54 1wra s LYS 221 Cb 0.00 -2.16 -0.01 0.00 -1.68 0.00 0.00 37.83 33.99 1wra s LYS 221 CO 0.00 0.49 -0.22 0.15 -0.76 0.00 0.00 175.35 175.01 1wra s LYS 222 N -2.06 2.36 -0.12 1.68 1.02 -1.26 -1.87 119.74 119.49 1wra s LYS 222 Ca 0.18 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.39 1wra s LYS 222 Cb -0.11 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1wra s LYS 222 CO 0.10 0.32 -0.22 0.42 -0.92 0.00 0.00 175.35 175.05 1wra s ILE 223 N -0.05 2.14 -0.20 2.17 1.01 0.73 -1.05 121.20 125.96 1wra s ILE 223 Ca -0.05 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1wra s ILE 223 Cb -0.14 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1wra s ILE 223 CO 0.04 0.55 0.11 -0.47 0.00 0.00 0.00 174.94 175.17 1wra s TYR 224 N 0.60 3.34 -0.24 3.97 5.04 0.13 -0.67 117.35 129.52 1wra s TYR 224 Ca -0.12 0.23 -0.01 0.00 -2.44 0.00 0.00 57.07 54.73 1wra s TYR 224 Cb -0.17 -2.15 0.07 0.00 0.35 0.00 0.00 41.96 40.07 1wra s TYR 224 CO 0.03 0.21 0.02 -0.51 -1.34 0.00 0.00 175.55 173.96 1wra s LEU 225 N 0.45 2.01 -0.15 6.97 1.43 0.02 -1.37 118.68 128.04 1wra s LEU 225 Ca 0.06 -1.17 0.16 0.00 -1.03 0.00 0.00 54.13 52.16 1wra s LEU 225 Cb -0.12 -0.89 0.33 0.00 0.03 0.00 0.00 46.19 45.54 1wra s LEU 225 CO -0.01 -0.31 1.17 0.61 0.23 0.00 0.00 176.35 178.05 1wra n GLY 226 N 4.85 4.84 7.00 -3.19 0.00 -1.26 -0.88 105.19 116.55 1wra n GLY 226 Ca -0.08 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1wra n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wra n GLY 227 N -1.28 3.25 2.09 -0.02 0.00 -1.26 -1.60 105.19 106.36 1wra n GLY 227 Ca 0.17 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1wra n GLY 227 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wra n ASP 228 N 3.31 5.89 -4.63 1.61 8.00 -1.26 -2.40 116.55 127.06 1wra n ASP 228 Ca 0.00 -3.76 -0.45 0.00 0.71 0.00 0.00 54.79 51.28 1wra n ASP 228 Cb 0.00 -0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 40.34 1wra n ASP 228 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1wra n LEU 229 N -0.91 2.48 -4.45 0.64 7.94 -0.63 -4.51 117.00 117.55 1wra n LEU 229 Ca 0.54 1.16 -0.24 0.00 -1.11 0.00 0.00 56.01 56.36 1wra n LEU 229 Cb 0.89 -1.35 -0.08 0.00 0.53 0.00 0.00 43.42 43.41 1wra n LEU 229 CO 0.59 -0.89 -0.19 1.51 -1.11 0.00 0.00 177.39 177.30 1wra s ASP 230 N -0.05 2.43 -0.11 1.96 1.47 -1.26 -4.51 116.67 116.61 1wra s ASP 230 Ca 0.66 -1.65 0.14 0.00 1.18 0.00 0.00 52.55 52.87 1wra s ASP 230 Cb -0.70 0.47 0.43 0.00 -0.34 0.00 0.00 42.92 42.78 1wra s ASP 230 CO 0.54 -0.93 1.35 -3.20 0.68 0.00 0.00 175.17 173.61 1wra n ASN 231 N -1.25 3.48 -0.24 2.11 5.15 -0.55 -3.91 115.26 120.04 1wra n ASN 231 Ca -0.03 -2.62 0.01 0.00 -0.60 0.00 0.00 54.58 51.33 1wra n ASN 231 Cb 0.65 -0.42 0.23 0.00 -0.53 0.00 0.00 39.78 39.71 1wra n ASN 231 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1wra h VAL 232 N 1.83 1.19 -0.32 3.44 2.07 -1.98 -1.81 116.25 120.66 1wra h VAL 232 Ca 0.00 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 1wra h VAL 232 Cb 1.16 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1wra h VAL 232 CO 0.13 0.19 -0.01 1.41 0.02 0.00 0.00 177.57 179.32 1wra n HIS 233 N -4.42 1.06 -0.97 1.57 8.25 -1.26 -4.97 115.22 114.48 1wra n HIS 233 Ca 0.09 -1.25 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 1wra n HIS 233 Cb 0.04 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.74 1wra n HIS 233 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wra n GLY 234 N -0.85 0.48 0.26 -1.41 0.00 -0.68 -4.95 105.19 98.05 1wra n GLY 234 Ca 0.28 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wra n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wra h ALA 235 N 0.00 1.34 -0.12 4.61 0.00 -1.79 -1.23 119.26 122.09 1wra h ALA 235 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1wra h ALA 235 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1wra h ALA 235 CO 0.00 0.45 -0.55 0.93 0.00 0.00 0.00 179.25 180.08 1wra h GLU 236 N 0.46 0.58 -0.97 0.00 5.08 -1.88 -0.37 114.58 117.48 1wra h GLU 236 Ca 0.10 -0.46 0.11 0.00 -1.00 0.00 0.00 59.36 58.10 1wra h GLU 236 Cb 0.38 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 1wra h GLU 236 CO 0.02 1.09 0.62 -0.44 -1.00 0.00 0.00 179.01 179.29 1wra h ASP 237 N 0.20 0.88 0.11 1.42 3.32 -1.87 -1.13 116.42 119.35 1wra h ASP 237 Ca -0.04 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1wra h ASP 237 Cb 1.19 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1wra h ASP 237 CO 0.11 0.49 -0.05 0.50 -1.72 0.00 0.00 179.24 178.57 1wra h LYS 238 N 0.96 -0.14 0.00 3.56 3.64 -1.16 -3.39 116.57 120.04 1wra h LYS 238 Ca 0.47 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.83 1wra h LYS 238 Cb 0.47 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1wra h LYS 238 CO -0.23 0.35 -0.42 1.88 -2.27 0.00 0.00 179.45 178.76 1wra h TYR 239 N -0.88 0.00 0.11 1.91 0.05 -1.03 -3.29 116.97 113.85 1wra h TYR 239 Ca -0.01 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.78 1wra h TYR 239 Cb 0.55 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.25 1wra h TYR 239 CO 0.11 0.12 -0.51 0.78 -1.05 0.00 0.00 178.16 177.62 1wra h GLY 240 N 3.90 -1.08 1.81 3.88 0.00 -1.39 0.42 103.07 110.60 1wra h GLY 240 Ca -0.01 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 1wra h GLY 240 CO 0.01 -0.27 0.01 -2.55 0.00 0.00 0.00 176.54 173.75 1wra h PRO 241 N -0.73 0.25 -0.04 4.80 0.11 -1.78 -1.46 132.00 133.15 1wra h PRO 241 Ca 0.00 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.92 1wra h PRO 241 Cb 0.74 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1wra h PRO 241 CO -0.29 0.27 -0.70 -0.07 -0.21 0.00 0.00 178.00 177.00 1wra h LEU 242 N 0.25 0.27 0.09 2.35 3.38 -1.50 -3.28 115.31 116.87 1wra h LEU 242 Ca 0.06 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1wra h LEU 242 Cb 0.16 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wra h LEU 242 CO 0.00 0.89 -0.62 0.40 0.09 0.00 0.00 178.44 179.20 1wra h ILE 243 N 0.16 1.56 -0.48 1.22 2.04 -0.80 -3.50 117.51 117.69 1wra h ILE 243 Ca -0.02 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1wra h ILE 243 Cb 1.25 3.21 0.00 0.00 -0.74 0.00 0.00 36.82 40.54 1wra h ILE 243 CO 0.11 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.54 1wra n GLY 244 N 1.65 -0.05 3.72 5.37 0.00 -0.56 -4.86 105.19 110.46 1wra n GLY 244 Ca -0.14 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1wra n GLY 244 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wra s LYS 245 N 0.00 4.21 0.29 1.61 2.47 -1.19 -4.04 119.74 123.09 1wra s LYS 245 Ca 0.00 2.38 0.02 0.00 -1.56 0.00 0.00 55.97 56.81 1wra s LYS 245 Cb 0.00 -3.15 -0.06 0.00 -1.46 0.00 0.00 37.83 33.17 1wra s LYS 245 CO 0.00 -0.61 0.08 0.14 0.16 0.00 0.00 175.35 175.12 1wra s VAL 246 N 1.10 0.80 -0.24 4.02 -7.23 -0.08 -4.96 120.40 113.82 1wra s VAL 246 Ca 0.70 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 1wra s VAL 246 Cb -0.44 -2.69 -0.12 0.00 0.56 0.00 0.00 36.38 33.68 1wra s VAL 246 CO 0.32 0.00 -0.19 0.47 -0.31 0.00 0.00 175.10 175.39 1wra n ASP 247 N -0.58 1.92 -4.34 4.85 8.00 -0.21 -3.82 116.55 122.37 1wra n ASP 247 Ca -0.01 0.38 -0.35 0.00 0.71 0.00 0.00 54.79 55.53 1wra n ASP 247 Cb 0.66 -0.85 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 1wra n ASP 247 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1wra s LEU 248 N -7.71 2.92 -0.20 0.64 0.20 -0.86 -1.03 118.68 112.63 1wra s LEU 248 Ca -0.33 -0.35 -0.04 0.00 0.69 0.00 0.00 54.13 54.10 1wra s LEU 248 Cb 0.10 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 44.12 1wra s LEU 248 CO 0.49 0.02 -0.04 -0.32 -0.29 0.00 0.00 176.35 176.21 1wra s MET 249 N 1.21 3.43 0.10 1.98 -2.45 -0.06 -0.69 119.30 122.82 1wra s MET 249 Ca 0.03 -0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 53.55 1wra s MET 249 Cb -0.14 -2.98 -0.06 0.00 1.25 0.00 0.00 34.83 32.90 1wra s MET 249 CO -0.01 -0.09 1.19 0.21 1.05 0.00 0.00 175.02 177.36 1wra s LYS 250 N 1.22 4.46 0.34 4.11 2.20 -0.47 -1.72 119.74 129.87 1wra s LYS 250 Ca 0.03 1.79 -0.29 0.00 -0.36 0.00 0.00 55.97 57.14 1wra s LYS 250 Cb -0.14 -3.32 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 1wra s LYS 250 CO -0.01 -0.19 1.35 0.12 -0.36 0.00 0.00 175.35 176.26 1wra s PHE 251 N 0.71 2.95 0.19 4.03 5.36 0.07 -4.64 117.98 126.64 1wra s PHE 251 Ca 0.57 1.36 -0.30 0.00 -0.96 0.00 0.00 56.93 57.59 1wra s PHE 251 Cb -0.30 -3.75 -0.08 0.00 -0.34 0.00 0.00 43.02 38.54 1wra s PHE 251 CO 0.31 -2.11 1.23 -0.80 -1.46 0.00 0.00 175.22 172.39 1wra s ASN 252 N -0.40 7.03 -1.32 6.13 0.01 -1.26 -3.91 114.94 121.21 1wra s ASN 252 Ca 0.50 2.28 -0.06 0.00 -0.71 0.00 0.00 52.86 54.86 1wra s ASN 252 Cb -0.41 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 38.65 1wra s ASN 252 CO 0.55 -0.42 1.09 1.57 -1.51 0.00 0.00 177.10 178.38 1wra n HIS 253 N 2.57 -2.57 0.00 2.20 -0.00 -1.01 -4.20 115.22 112.20 1wra n HIS 253 Ca 0.05 0.98 0.00 0.00 0.46 0.00 0.00 57.72 59.20 1wra n HIS 253 Cb 0.44 -4.94 0.00 0.00 -0.12 0.00 0.00 29.99 25.37 1wra n HIS 253 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1wra n HIS 254 N -4.67 0.00 -1.73 1.57 8.25 -1.25 -2.38 115.22 115.01 1wra n HIS 254 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1wra n HIS 254 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1wra n HIS 254 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1wra n HIS 255 N 0.00 0.00 -2.56 4.41 1.44 -1.26 -4.12 115.22 113.12 1wra n HIS 255 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 1wra n HIS 255 Cb 0.00 0.04 -0.04 0.00 0.12 0.00 0.00 29.99 30.11 1wra n HIS 255 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1wra s ASP 256 N 0.00 7.27 0.00 4.39 3.68 -1.00 -0.67 116.67 130.34 1wra s ASP 256 Ca 0.00 1.94 0.05 0.00 2.13 0.00 0.00 52.55 56.67 1wra s ASP 256 Cb 0.00 -2.59 0.08 0.00 -1.45 0.00 0.00 42.92 38.96 1wra s ASP 256 CO 0.00 -0.27 0.82 0.35 0.13 0.00 0.00 175.17 176.20 1wra n THR 257 N 3.16 0.33 -0.02 1.71 -2.24 -0.65 -4.14 114.28 112.43 1wra n THR 257 Ca 0.05 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 61.04 1wra n THR 257 Cb 0.48 0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 1wra n THR 257 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1wra h ASN 258 N 1.01 0.13 0.00 3.42 2.35 -1.90 -3.40 115.58 117.18 1wra h ASN 258 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1wra h ASN 258 Cb 0.35 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1wra h ASN 258 CO 0.00 0.38 0.00 0.29 -1.65 0.00 0.00 177.43 176.45 1wra n LYS 259 N -4.86 2.37 -4.54 0.81 5.02 -1.26 -5.05 118.16 110.65 1wra n LYS 259 Ca -0.06 -0.08 -0.25 0.00 -2.02 0.00 0.00 58.31 55.89 1wra n LYS 259 Cb 0.18 -0.42 -0.10 0.00 -0.02 0.00 0.00 35.03 34.67 1wra n LYS 259 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wra s SER 260 N -0.36 3.02 -1.44 4.39 0.01 -1.26 -1.48 113.70 116.58 1wra s SER 260 Ca 0.00 -1.47 -0.10 0.00 1.31 0.00 0.00 55.95 55.70 1wra s SER 260 Cb 0.00 0.03 0.06 0.00 0.21 0.00 0.00 66.02 66.32 1wra s SER 260 CO 0.00 -0.66 0.70 0.59 0.41 0.00 0.00 173.24 174.28 1wra n ASN 261 N -0.94 -4.69 -4.59 2.44 3.02 -1.26 -4.19 115.26 105.05 1wra n ASN 261 Ca -0.06 -0.50 -0.44 0.00 -0.03 0.00 0.00 54.58 53.55 1wra n ASN 261 Cb 0.66 -3.80 -0.01 0.00 -0.61 0.00 0.00 39.78 36.02 1wra n ASN 261 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1wra n THR 262 N -4.34 2.03 0.03 3.41 -1.04 -1.26 -4.77 114.28 108.34 1wra n THR 262 Ca -0.02 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.53 1wra n THR 262 Cb 0.55 -1.04 0.41 0.00 -1.82 0.00 0.00 70.33 68.43 1wra n THR 262 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1wra h LYS 263 N 1.94 0.46 -0.63 -2.82 1.57 -1.97 -1.45 116.57 113.67 1wra h LYS 263 Ca -0.40 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1wra h LYS 263 Cb 1.34 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 1wra h LYS 263 CO 0.60 0.38 0.22 -0.44 -0.57 0.00 0.00 179.45 179.63 1wra h ASP 264 N 0.46 0.86 -0.15 0.86 3.32 -1.99 -0.30 116.42 119.49 1wra h ASP 264 Ca 0.12 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1wra h ASP 264 Cb 0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1wra h ASP 264 CO -0.01 0.80 0.06 0.15 -1.72 0.00 0.00 179.24 178.51 1wra h PHE 265 N 0.91 0.23 -0.78 4.55 3.57 -1.58 -1.25 116.94 122.59 1wra h PHE 265 Ca 0.21 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1wra h PHE 265 Cb 0.23 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1wra h PHE 265 CO 0.02 0.31 0.45 0.82 -2.23 0.00 0.00 178.31 177.68 1wra h ILE 266 N 0.08 1.22 -0.17 1.41 1.08 -1.23 -1.46 117.51 118.44 1wra h ILE 266 Ca 0.05 -0.52 -0.15 0.00 -0.39 0.00 0.00 64.86 63.85 1wra h ILE 266 Cb 0.18 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 1wra h ILE 266 CO -0.00 0.24 -0.51 0.11 -0.69 0.00 0.00 178.15 177.30 1wra h LYS 267 N 1.08 0.47 -0.48 2.37 1.57 -0.98 0.20 116.57 120.80 1wra h LYS 267 Ca 0.28 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1wra h LYS 267 Cb -0.01 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1wra h LYS 267 CO -0.05 0.87 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.77 1wra h ASN 268 N 0.37 0.85 1.12 0.86 2.35 -0.85 -3.12 115.58 117.15 1wra h ASN 268 Ca 0.01 -0.32 -0.18 0.00 -0.55 0.00 0.00 56.30 55.27 1wra h ASN 268 Cb 1.02 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 1wra h ASN 268 CO 0.09 0.96 -0.91 -0.07 -1.65 0.00 0.00 177.43 175.85 1wra h LEU 269 N 0.71 0.00 -3.61 1.61 3.38 -1.16 -3.14 115.31 113.09 1wra h LEU 269 Ca 0.13 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.58 1wra h LEU 269 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1wra h LEU 269 CO 0.03 0.79 -0.87 -0.24 0.09 0.00 0.00 178.44 178.23 1wra n SER 270 N -3.25 -2.84 -4.80 -0.43 2.88 0.68 -0.90 113.62 104.96 1wra n SER 270 Ca -0.01 -1.14 -0.33 0.00 -1.33 0.00 0.00 58.87 56.06 1wra n SER 270 Cb 0.87 -1.37 0.01 0.00 -0.75 0.00 0.00 64.21 62.97 1wra n SER 270 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1wra s PRO 271 N -7.12 3.31 0.23 -1.46 0.04 -1.25 -4.63 135.00 124.11 1wra s PRO 271 Ca 0.36 1.23 0.23 0.00 0.04 0.00 0.00 61.00 62.87 1wra s PRO 271 Cb -0.20 -2.03 0.25 0.00 0.04 0.00 0.00 34.50 32.56 1wra s PRO 271 CO 0.85 -0.82 1.31 0.66 0.04 0.00 0.00 177.00 179.04 1wra h SER 272 N 0.49 0.00 -3.32 6.66 4.64 -1.28 -3.44 113.55 117.30 1wra h SER 272 Ca -0.47 -0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 60.57 1wra h SER 272 Cb 1.22 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.00 1wra h SER 272 CO 0.57 0.03 -0.53 -0.22 -0.87 0.00 0.00 176.83 175.82 1wra s LEU 273 N -5.11 0.42 -0.14 5.97 2.96 -0.97 -1.72 118.68 120.07 1wra s LEU 273 Ca 0.04 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1wra s LEU 273 Cb 0.10 0.60 -0.03 0.00 0.50 0.00 0.00 46.19 47.36 1wra s LEU 273 CO 0.73 -0.17 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.91 1wra s ILE 274 N 1.39 3.81 -0.19 6.68 1.01 -0.03 -0.88 121.20 132.99 1wra s ILE 274 Ca -0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 1wra s ILE 274 Cb -0.11 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1wra s ILE 274 CO -0.08 0.51 -0.06 -0.69 0.00 0.00 0.00 174.94 174.63 1wra s VAL 275 N 0.24 3.47 -0.21 2.92 1.01 -0.70 -1.34 120.40 125.78 1wra s VAL 275 Ca -0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1wra s VAL 275 Cb -0.14 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1wra s VAL 275 CO 0.03 0.46 0.18 -1.10 0.00 0.00 0.00 175.10 174.67 1wra s GLN 276 N 0.97 4.15 -1.31 2.72 -0.21 -0.04 -0.75 119.66 125.19 1wra s GLN 276 Ca -0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 55.36 55.12 1wra s GLN 276 Cb -0.15 -3.47 0.14 0.00 1.00 0.00 0.00 33.01 30.53 1wra s GLN 276 CO 0.00 0.18 2.08 0.25 -2.12 0.00 0.00 175.29 175.68 1wra n THR 277 N 3.87 4.57 -3.55 -0.19 -2.24 -1.26 -0.44 114.28 115.06 1wra n THR 277 Ca -0.15 -4.25 -0.11 0.00 -2.27 0.00 0.00 64.05 57.27 1wra n THR 277 Cb 0.52 -2.29 -0.04 0.00 -2.10 0.00 0.00 70.33 66.41 1wra n THR 277 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wra s SER 278 N 0.84 -0.43 0.00 3.42 0.15 -1.26 -2.91 113.70 113.51 1wra s SER 278 Ca 0.45 0.36 0.27 0.00 0.70 0.00 0.00 55.95 57.73 1wra s SER 278 Cb 0.13 0.37 0.94 0.00 -1.71 0.00 0.00 66.02 65.75 1wra s SER 278 CO -0.03 -0.47 1.68 -0.90 1.20 0.00 0.00 173.24 174.72 1wra n ASP 279 N 0.51 1.67 -4.89 5.45 5.75 -1.03 -3.87 116.55 120.14 1wra n ASP 279 Ca -0.12 -1.56 -0.33 0.00 -0.01 0.00 0.00 54.79 52.77 1wra n ASP 279 Cb 0.59 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.62 1wra n ASP 279 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wra s SER 280 N -1.97 6.51 0.85 -1.12 0.15 -1.26 -5.00 113.70 111.85 1wra s SER 280 Ca 0.37 0.59 -0.11 0.00 0.70 0.00 0.00 55.95 57.49 1wra s SER 280 Cb 0.21 -2.09 0.10 0.00 -1.71 0.00 0.00 66.02 62.52 1wra s SER 280 CO 0.33 0.16 1.10 -0.76 1.20 0.00 0.00 173.24 175.27 1wra s LEU 281 N -2.15 2.65 0.26 3.45 1.02 -1.26 -4.84 118.68 117.82 1wra s LEU 281 Ca 0.34 1.73 -0.28 0.00 0.02 0.00 0.00 54.13 55.93 1wra s LEU 281 Cb -0.13 -4.26 -0.15 0.00 0.02 0.00 0.00 46.19 41.67 1wra s LEU 281 CO 0.20 -2.44 0.80 -2.65 0.02 0.00 0.00 176.35 172.28 1wra n PRO 282 N -3.78 0.80 -3.72 1.29 -0.02 -1.26 -4.83 135.00 123.48 1wra n PRO 282 Ca 0.08 0.28 -0.16 0.00 -2.02 0.00 0.00 63.50 61.69 1wra n PRO 282 Cb 0.54 -1.51 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 1wra n PRO 282 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1wra s TRP 283 N -1.06 -0.07 0.00 6.00 -0.11 0.15 -0.86 118.94 122.99 1wra s TRP 283 Ca 0.61 0.37 0.00 0.00 1.22 0.00 0.00 56.10 58.30 1wra s TRP 283 Cb -0.78 -0.23 0.00 0.00 -1.50 0.00 0.00 33.47 30.96 1wra s TRP 283 CO 0.58 -0.17 0.00 1.17 -4.62 0.00 0.00 176.95 173.91 1wra n LYS 284 N 4.62 0.00 -3.60 5.86 4.81 -1.26 -1.63 118.16 126.95 1wra n LYS 284 Ca -0.18 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 56.95 1wra n LYS 284 Cb 0.50 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.47 1wra n LYS 284 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1wra n ASN 285 N -0.38 3.83 0.00 3.14 5.15 -1.26 -4.88 115.26 120.86 1wra n ASN 285 Ca 0.00 -3.30 0.00 0.00 -0.60 0.00 0.00 54.58 50.68 1wra n ASN 285 Cb 0.00 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1wra n ASN 285 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wra n GLY 286 N 1.58 -2.61 3.66 8.20 0.00 -1.26 -4.91 105.19 109.85 1wra n GLY 286 Ca 0.24 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.14 1wra n GLY 286 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wra n VAL 287 N -0.57 0.00 -2.68 1.61 0.31 -1.26 -4.54 118.33 111.20 1wra n VAL 287 Ca 0.00 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1wra n VAL 287 Cb 0.00 -1.48 -0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1wra n VAL 287 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wra s ASP 288 N 0.89 6.90 0.35 4.52 -1.08 -0.04 -4.73 116.67 123.48 1wra s ASP 288 Ca 0.79 -2.58 0.12 0.00 -0.52 0.00 0.00 52.55 50.36 1wra s ASP 288 Cb -0.70 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 38.88 1wra s ASP 288 CO 0.39 -1.06 1.79 0.77 0.52 0.00 0.00 175.17 177.57 1wra h SER 289 N 7.50 0.01 -0.65 -0.34 4.64 -1.88 -1.90 113.55 120.93 1wra h SER 289 Ca 0.41 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 1wra h SER 289 Cb 0.87 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.93 1wra h SER 289 CO 1.40 0.43 0.31 -0.08 -0.87 0.00 0.00 176.83 178.02 1wra h GLU 290 N 0.01 0.94 -0.26 4.77 4.22 -1.99 -1.86 114.58 120.42 1wra h GLU 290 Ca -0.00 -0.14 -0.10 0.00 0.08 0.00 0.00 59.36 59.20 1wra h GLU 290 Cb 0.74 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wra h GLU 290 CO 0.05 0.75 -0.24 -0.92 -2.18 0.00 0.00 179.01 176.47 1wra h TYR 291 N 0.90 0.74 -0.33 0.92 3.20 -1.82 0.41 116.97 120.98 1wra h TYR 291 Ca 0.22 -0.22 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1wra h TYR 291 Cb 0.12 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 1wra h TYR 291 CO 0.00 0.93 -0.08 0.28 -1.64 0.00 0.00 178.16 177.65 1wra h VAL 292 N 0.34 0.67 -0.47 1.81 2.07 -1.32 -0.63 116.25 118.71 1wra h VAL 292 Ca 0.04 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1wra h VAL 292 Cb 0.80 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1wra h VAL 292 CO 0.06 0.00 0.23 -1.13 0.02 0.00 0.00 177.57 176.75 1wra h ASN 293 N 0.00 0.62 -0.59 0.57 -1.24 -1.23 -2.60 115.58 111.11 1wra h ASN 293 Ca 0.16 -0.13 0.10 0.00 0.71 0.00 0.00 56.30 57.15 1wra h ASN 293 Cb 0.24 -0.16 -0.08 0.00 0.73 0.00 0.00 38.32 39.06 1wra h ASN 293 CO -0.34 0.57 0.16 -0.25 -1.29 0.00 0.00 177.43 176.27 1wra h TRP 294 N 0.62 0.26 -0.18 0.67 7.01 -0.32 0.31 115.95 124.32 1wra h TRP 294 Ca 0.16 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1wra h TRP 294 Cb 0.12 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 1wra h TRP 294 CO -0.01 0.02 0.11 -0.07 -2.79 0.00 0.00 178.44 175.70 1wra h LEU 295 N 0.30 0.21 -0.57 0.65 3.38 -1.00 -2.03 115.31 116.25 1wra h LEU 295 Ca 0.30 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.27 1wra h LEU 295 Cb 0.42 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1wra h LEU 295 CO -0.36 0.17 0.36 0.11 0.09 0.00 0.00 178.44 178.81 1wra h LYS 296 N 0.22 0.69 -0.33 1.13 1.57 -1.03 -1.67 116.57 117.14 1wra h LYS 296 Ca 0.06 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1wra h LYS 296 Cb -0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1wra h LYS 296 CO -0.01 0.46 0.24 0.93 -0.57 0.00 0.00 179.45 180.49 1wra h GLU 297 N 0.71 0.08 -0.01 3.15 4.39 -0.74 -1.36 114.58 120.80 1wra h GLU 297 Ca 0.23 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1wra h GLU 297 Cb -0.00 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1wra h GLU 297 CO -0.09 0.06 -0.07 0.54 -1.16 0.00 0.00 179.01 178.29 1wra n ARG 298 N -4.46 1.38 -1.14 2.33 1.74 -0.70 -4.95 116.66 110.88 1wra n ARG 298 Ca 0.05 -0.77 -0.02 0.00 -0.77 0.00 0.00 57.85 56.33 1wra n ARG 298 Cb 0.35 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 1wra n ARG 298 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wra n GLY 299 N 1.22 0.53 3.54 -0.13 0.00 -0.51 -5.00 105.19 104.83 1wra n GLY 299 Ca 0.17 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1wra n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wra s ILE 300 N -2.08 5.12 0.49 -0.61 1.01 -0.80 -4.92 121.20 119.41 1wra s ILE 300 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.50 1wra s ILE 300 Cb 0.00 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.52 1wra s ILE 300 CO 0.00 -0.16 1.15 -0.70 0.00 0.00 0.00 174.94 175.23 1wra s GLU 301 N 2.12 3.60 -0.07 2.79 2.12 -0.70 -4.30 118.70 124.25 1wra s GLU 301 Ca 0.13 1.71 -0.03 0.00 0.36 0.00 0.00 54.97 57.14 1wra s GLU 301 Cb -0.16 -2.25 0.04 0.00 0.26 0.00 0.00 34.13 32.02 1wra s GLU 301 CO 0.12 -0.67 0.15 0.50 -0.54 0.00 0.00 175.26 174.82 1wra s ARG 302 N -2.93 0.08 0.02 4.30 3.52 -1.26 -0.85 118.95 121.83 1wra s ARG 302 Ca 0.67 0.41 0.01 0.00 -0.13 0.00 0.00 55.73 56.70 1wra s ARG 302 Cb -0.27 -0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 32.91 1wra s ARG 302 CO 0.31 -0.19 -0.05 0.96 -0.81 0.00 0.00 175.30 175.52 1wra s ILE 303 N 1.38 0.38 -0.25 4.11 -5.25 -0.45 -4.99 121.20 116.13 1wra s ILE 303 Ca -0.07 -0.68 -0.17 0.00 -0.99 0.00 0.00 60.65 58.75 1wra s ILE 303 Cb -0.12 -0.41 -0.03 0.00 2.95 0.00 0.00 42.46 44.85 1wra s ILE 303 CO -0.06 -0.20 0.45 0.20 -1.79 0.00 0.00 174.94 173.53 1wra s ASN 304 N -0.94 6.37 -1.28 4.36 -0.87 -1.26 -0.86 114.94 120.46 1wra s ASN 304 Ca -0.06 0.44 -0.17 0.00 -1.57 0.00 0.00 52.86 51.51 1wra s ASN 304 Cb -0.06 -2.25 0.10 0.00 -0.02 0.00 0.00 41.25 39.01 1wra s ASN 304 CO -0.00 -0.22 1.68 0.00 -2.57 0.00 0.00 177.10 175.99 1wra n ALA 305 N 5.30 3.75 -3.21 0.60 0.00 0.42 -4.88 120.51 122.49 1wra n ALA 305 Ca -0.06 -3.97 -0.13 0.00 0.00 0.00 0.00 53.44 49.28 1wra n ALA 305 Cb 0.50 -3.45 -0.11 0.00 0.00 0.00 0.00 19.45 16.39 1wra n ALA 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wra s ALA 306 N 3.40 -0.72 -0.25 0.00 0.00 -1.26 -1.88 121.76 121.05 1wra s ALA 306 Ca 0.50 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.01 1wra s ALA 306 Cb 0.03 -0.49 0.17 0.00 0.00 0.00 0.00 23.12 22.83 1wra s ALA 306 CO 0.05 -0.14 1.25 0.45 0.00 0.00 0.00 175.76 177.36 1wra s SER 307 N 0.22 -0.14 0.00 0.00 0.15 -0.57 -4.92 113.70 108.44 1wra s SER 307 Ca -0.01 0.16 0.13 0.00 0.70 0.00 0.00 55.95 56.93 1wra s SER 307 Cb -0.02 0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.47 1wra s SER 307 CO -0.00 -0.13 0.84 0.29 1.20 0.00 0.00 173.24 175.43 1wra n LYS 308 N 0.60 1.26 -0.06 5.44 5.02 -1.26 -4.35 118.16 124.81 1wra n LYS 308 Ca -0.03 -1.04 -0.08 0.00 -2.02 0.00 0.00 58.31 55.14 1wra n LYS 308 Cb 0.59 -1.21 -0.08 0.00 -0.02 0.00 0.00 35.03 34.30 1wra n LYS 308 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wra n ASP 309 N 0.36 2.52 -4.16 4.39 8.00 -1.26 -4.80 116.55 121.61 1wra n ASP 309 Ca 0.07 -0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 1wra n ASP 309 Cb 0.30 0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 41.61 1wra n ASP 309 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1wra s TYR 310 N -2.28 1.13 0.02 1.24 1.51 -1.26 -0.58 117.35 117.13 1wra s TYR 310 Ca -0.12 -0.51 0.28 0.00 -1.01 0.00 0.00 57.07 55.71 1wra s TYR 310 Cb 0.04 -0.63 1.01 0.00 -0.11 0.00 0.00 41.96 42.27 1wra s TYR 310 CO 0.40 0.03 1.85 -0.44 -1.11 0.00 0.00 175.55 176.29 1wra h ASP 311 N 4.11 0.00 -5.02 2.29 3.32 -1.94 -3.43 116.42 115.75 1wra h ASP 311 Ca -0.39 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.59 1wra h ASP 311 Cb 1.19 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.58 1wra h ASP 311 CO 0.44 0.10 0.01 0.00 -1.72 0.00 0.00 179.24 178.06 1wra s ALA 312 N -3.57 -1.27 -0.33 3.45 0.00 -1.26 -0.40 121.76 118.37 1wra s ALA 312 Ca 0.02 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 1wra s ALA 312 Cb 0.09 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 1wra s ALA 312 CO 0.60 -0.48 0.64 0.99 0.00 0.00 0.00 175.76 177.51 1wra s THR 313 N -2.33 4.91 -0.15 0.00 2.01 -0.21 -4.75 115.64 115.11 1wra s THR 313 Ca -0.06 0.72 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 1wra s THR 313 Cb -0.01 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1wra s THR 313 CO -0.01 -0.24 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.87 1wra s VAL 314 N 2.68 3.05 -0.11 3.82 1.01 -1.26 -0.97 120.40 128.62 1wra s VAL 314 Ca 0.25 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1wra s VAL 314 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1wra s VAL 314 CO 0.14 0.51 0.06 -0.36 0.00 0.00 0.00 175.10 175.44 1wra s PHE 315 N 0.58 3.32 -0.16 5.22 0.40 -0.76 -0.95 117.98 125.63 1wra s PHE 315 Ca -0.07 0.29 -0.25 0.00 -0.60 0.00 0.00 56.93 56.30 1wra s PHE 315 Cb -0.15 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 1wra s PHE 315 CO 0.03 0.53 0.84 0.34 0.70 0.00 0.00 175.22 177.66 1wra s ASP 316 N -0.79 6.97 -0.68 1.36 2.15 -0.39 -1.43 116.67 123.86 1wra s ASP 316 Ca 0.13 1.19 -0.16 0.00 0.43 0.00 0.00 52.55 54.14 1wra s ASP 316 Cb -0.12 -2.46 0.16 0.00 -0.30 0.00 0.00 42.92 40.20 1wra s ASP 316 CO 0.03 -0.40 0.68 -0.63 -0.17 0.00 0.00 175.17 174.68 1wra s ILE 317 N 2.12 5.25 0.29 4.11 1.01 0.32 -1.79 121.20 132.51 1wra s ILE 317 Ca 0.39 -1.76 0.08 0.00 0.00 0.00 0.00 60.65 59.35 1wra s ILE 317 Cb -0.17 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1wra s ILE 317 CO 0.13 -1.02 0.16 -0.13 0.00 0.00 0.00 174.94 174.07 1wra s ARG 318 N 1.35 2.63 0.49 2.79 0.52 -0.94 -4.68 118.95 121.13 1wra s ARG 318 Ca 0.12 -1.28 0.21 0.00 -0.52 0.00 0.00 55.73 54.27 1wra s ARG 318 Cb -0.20 -2.38 1.26 0.00 0.52 0.00 0.00 34.95 34.15 1wra s ARG 318 CO -0.02 0.28 1.97 0.87 0.02 0.00 0.00 175.30 178.43 1wra h LYS 319 N 1.55 0.15 -0.01 3.54 1.57 -1.94 -2.38 116.57 119.06 1wra h LYS 319 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1wra h LYS 319 Cb 1.25 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1wra h LYS 319 CO 0.61 0.10 -0.23 -0.25 -0.57 0.00 0.00 179.45 179.11 1wra n ASP 320 N -4.42 1.32 0.00 0.86 8.00 -1.26 -4.97 116.55 116.08 1wra n ASP 320 Ca 0.11 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1wra n ASP 320 Cb 0.56 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 1wra n ASP 320 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wra n GLY 321 N 1.32 2.40 3.75 0.44 0.00 -0.89 -5.08 105.19 107.13 1wra n GLY 321 Ca 0.13 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 1wra n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wra s PHE 322 N -1.64 3.91 -0.12 1.61 0.40 -1.26 -2.20 117.98 118.68 1wra s PHE 322 Ca 0.00 1.76 0.02 0.00 -0.60 0.00 0.00 56.93 58.11 1wra s PHE 322 Cb 0.00 -2.91 0.01 0.00 0.51 0.00 0.00 43.02 40.63 1wra s PHE 322 CO 0.00 0.42 -0.18 0.08 0.70 0.00 0.00 175.22 176.23 1wra s VAL 323 N -0.85 1.75 -0.56 -0.44 1.01 -0.74 -4.96 120.40 115.61 1wra s VAL 323 Ca 0.40 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1wra s VAL 323 Cb -0.24 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1wra s VAL 323 CO 0.29 0.49 1.66 0.21 0.00 0.00 0.00 175.10 177.75 1wra s ASN 324 N 0.87 5.72 -0.31 3.32 3.84 -1.26 -1.26 114.94 125.85 1wra s ASN 324 Ca -0.08 0.43 0.09 0.00 0.21 0.00 0.00 52.86 53.51 1wra s ASN 324 Cb -0.15 -2.54 0.58 0.00 -0.55 0.00 0.00 41.25 38.59 1wra s ASN 324 CO -0.01 -2.01 1.60 2.30 -2.79 0.00 0.00 177.10 176.19 1wra n ILE 325 N 7.07 2.70 -0.31 -5.21 -5.35 -0.12 -4.78 119.36 113.36 1wra n ILE 325 Ca 0.17 -2.31 0.02 0.00 -0.27 0.00 0.00 62.75 60.36 1wra n ILE 325 Cb 0.50 -0.35 0.15 0.00 -1.74 0.00 0.00 39.64 38.21 1wra n ILE 325 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1wra h SER 326 N 1.32 0.81 0.47 7.28 0.02 -1.85 -2.34 113.55 119.25 1wra h SER 326 Ca 0.29 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1wra h SER 326 Cb 1.98 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.38 1wra h SER 326 CO 0.56 0.50 -0.03 0.35 -1.14 0.00 0.00 176.83 177.08 1wra n THR 327 N -4.65 0.00 1.88 -2.27 -2.24 -1.26 -3.01 114.28 102.73 1wra n THR 327 Ca 0.13 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 1wra n THR 327 Cb 0.21 -0.41 0.68 0.00 -2.10 0.00 0.00 70.33 68.72 1wra n THR 327 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wra n SER 328 N -1.18 0.30 -5.00 3.42 3.41 -0.88 -4.83 113.62 108.86 1wra n SER 328 Ca 0.15 -1.30 -0.18 0.00 -0.26 0.00 0.00 58.87 57.29 1wra n SER 328 Cb 0.24 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1wra n SER 328 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1wra s TYR 329 N -1.98 2.89 0.12 7.33 1.51 -1.16 -5.07 117.35 121.00 1wra s TYR 329 Ca 0.37 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.77 1wra s TYR 329 Cb 0.17 -2.26 -0.08 0.00 -0.11 0.00 0.00 41.96 39.68 1wra s TYR 329 CO 0.29 -0.29 1.37 0.15 -1.11 0.00 0.00 175.55 175.95 1wra s LYS 330 N -4.29 4.34 0.76 -0.62 1.02 -1.26 -4.98 119.74 114.70 1wra s LYS 330 Ca 0.52 2.05 -0.13 0.00 0.02 0.00 0.00 55.97 58.43 1wra s LYS 330 Cb -0.10 -3.25 0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1wra s LYS 330 CO 0.32 -0.40 1.14 -2.14 -0.92 0.00 0.00 175.35 173.35 1wra s PRO 331 N 0.91 2.14 0.07 -1.68 0.02 -1.26 -4.69 135.00 130.50 1wra s PRO 331 Ca 0.63 1.45 -0.31 0.00 0.02 0.00 0.00 61.00 62.80 1wra s PRO 331 Cb -0.36 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 1wra s PRO 331 CO 0.31 -1.78 1.57 0.42 -0.33 0.00 0.00 177.00 177.20 1wra s ILE 332 N -2.47 3.15 0.50 2.83 1.01 0.25 -5.00 121.20 121.49 1wra s ILE 332 Ca 0.67 0.64 -0.04 0.00 0.00 0.00 0.00 60.65 61.92 1wra s ILE 332 Cb -0.22 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1wra s ILE 332 CO 0.50 0.01 0.79 -2.16 0.00 0.00 0.00 174.94 174.07 1wra s PRO 333 N 2.34 3.26 0.00 2.79 0.04 -1.26 -4.96 135.00 137.21 1wra s PRO 333 Ca 0.71 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1wra s PRO 333 Cb -0.38 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1wra s PRO 333 CO 0.31 -0.35 0.30 -1.13 0.04 0.00 0.00 177.00 176.16