#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1auk n PRO 20 N 0.00 1.15 -1.65 -0.14 -0.02 -1.26 -4.93 135.00 128.15 1auk n PRO 20 Ca 0.00 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 1auk n PRO 20 Cb 0.00 -1.77 0.04 0.00 -0.02 0.00 0.00 33.50 31.75 1auk n PRO 20 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1auk s PRO 21 N -1.17 3.09 0.15 0.52 0.04 -1.26 -4.83 135.00 131.53 1auk s PRO 21 Ca 0.63 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1auk s PRO 21 Cb -0.77 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.69 1auk s PRO 21 CO 0.57 -0.98 0.97 -0.80 0.04 0.00 0.00 177.00 176.80 1auk s ASN 22 N -3.90 7.52 -0.15 6.66 0.01 0.36 -4.76 114.94 120.69 1auk s ASN 22 Ca 0.57 1.86 0.00 0.00 -0.71 0.00 0.00 52.86 54.58 1auk s ASN 22 Cb -0.13 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 38.93 1auk s ASN 22 CO 0.55 -0.02 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.35 1auk s ILE 23 N -0.34 2.75 -0.21 0.60 1.01 -0.52 -0.34 121.20 124.14 1auk s ILE 23 Ca 0.45 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1auk s ILE 23 Cb -0.24 -2.16 0.04 0.00 0.01 0.00 0.00 42.46 40.10 1auk s ILE 23 CO 0.31 0.51 -0.16 0.54 0.00 0.00 0.00 174.94 176.14 1auk s VAL 24 N 0.74 2.10 -0.48 2.92 0.11 -0.28 -0.97 120.40 124.54 1auk s VAL 24 Ca -0.06 -1.21 -0.11 0.00 -2.93 0.00 0.00 61.98 57.67 1auk s VAL 24 Cb -0.15 -2.02 0.11 0.00 -1.53 0.00 0.00 36.38 32.79 1auk s VAL 24 CO 0.01 0.32 0.37 -0.22 -3.33 0.00 0.00 175.10 172.25 1auk s LEU 25 N 1.22 5.69 -0.23 2.54 2.96 -0.27 -0.46 118.68 130.14 1auk s LEU 25 Ca -0.00 -1.76 -0.18 0.00 -0.22 0.00 0.00 54.13 51.97 1auk s LEU 25 Cb -0.16 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1auk s LEU 25 CO -0.10 -0.70 0.49 -0.63 -1.32 0.00 0.00 176.35 174.09 1auk s ILE 26 N 1.45 5.11 -0.26 6.68 1.01 0.45 -1.36 121.20 134.28 1auk s ILE 26 Ca 0.04 0.86 0.01 0.00 0.00 0.00 0.00 60.65 61.57 1auk s ILE 26 Cb -0.26 -3.81 0.07 0.00 0.01 0.00 0.00 42.46 38.47 1auk s ILE 26 CO 0.01 0.15 -0.03 0.12 0.00 0.00 0.00 174.94 175.20 1auk s PHE 27 N 1.87 2.56 0.78 3.97 5.36 -0.64 -1.78 117.98 130.09 1auk s PHE 27 Ca 0.22 -1.95 -0.09 0.00 -0.96 0.00 0.00 56.93 54.15 1auk s PHE 27 Cb -0.15 -1.79 0.10 0.00 -0.34 0.00 0.00 43.02 40.84 1auk s PHE 27 CO 0.09 -0.81 1.10 0.00 -1.46 0.00 0.00 175.22 174.14 1auk s ALA 28 N 1.34 2.95 -0.12 11.12 0.00 -0.14 -1.95 121.76 134.97 1auk s ALA 28 Ca -0.02 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1auk s ALA 28 Cb -0.19 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.33 1auk s ALA 28 CO -0.08 -1.62 -0.20 0.34 0.00 0.00 0.00 175.76 174.19 1auk s ASP 29 N -4.63 2.86 -1.40 0.00 -1.08 -0.41 -2.00 116.67 110.01 1auk s ASP 29 Ca 0.64 -0.53 -0.05 0.00 -0.52 0.00 0.00 52.55 52.10 1auk s ASP 29 Cb -0.09 -1.31 0.03 0.00 -1.46 0.00 0.00 42.92 40.09 1auk s ASP 29 CO 0.47 0.09 0.74 0.47 0.52 0.00 0.00 175.17 177.46 1auk n ASP 30 N 3.92 -2.13 -4.36 -0.34 9.92 -1.25 -0.68 116.55 121.63 1auk n ASP 30 Ca -0.20 -0.84 -0.34 0.00 -0.53 0.00 0.00 54.79 52.89 1auk n ASP 30 Cb 0.52 -3.82 -0.14 0.00 -0.64 0.00 0.00 41.12 37.04 1auk n ASP 30 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1auk s LEU 31 N -6.91 2.81 0.58 0.64 2.96 -1.17 -4.56 118.68 113.03 1auk s LEU 31 Ca 0.21 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.72 1auk s LEU 31 Cb -0.11 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1auk s LEU 31 CO 0.83 0.11 0.91 -0.83 -1.32 0.00 0.00 176.35 176.05 1auk s GLY 32 N 0.70 1.59 0.45 7.98 0.00 -1.26 -4.47 107.32 112.30 1auk s GLY 32 Ca -0.05 -0.55 0.13 0.00 0.00 0.00 0.00 44.72 44.25 1auk s GLY 32 CO 0.02 -0.29 2.03 -1.82 0.00 0.00 0.00 173.10 173.04 1auk h TYR 33 N -0.15 0.37 -0.27 1.90 3.20 -1.74 -2.78 116.97 117.50 1auk h TYR 33 Ca -0.46 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1auk h TYR 33 Cb 1.24 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1auk h TYR 33 CO 0.52 0.20 0.00 0.41 -1.64 0.00 0.00 178.16 177.65 1auk n GLY 34 N -1.52 0.87 0.10 1.82 0.00 -0.56 -4.56 105.19 101.34 1auk n GLY 34 Ca 0.06 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1auk n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1auk h ASP 35 N 3.04 0.24 -4.06 1.61 3.32 -1.49 -3.27 116.42 115.81 1auk h ASP 35 Ca 0.00 -0.37 -0.52 0.00 0.02 0.00 0.00 57.03 56.16 1auk h ASP 35 Cb 0.67 -0.08 0.10 0.00 0.22 0.00 0.00 39.33 40.24 1auk h ASP 35 CO 0.00 1.31 0.49 -0.76 -1.72 0.00 0.00 179.24 178.56 1auk s LEU 36 N -6.72 3.80 0.29 1.55 1.43 -1.26 -4.58 118.68 113.20 1auk s LEU 36 Ca -0.08 2.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.42 1auk s LEU 36 Cb 0.08 -4.45 0.47 0.00 0.03 0.00 0.00 46.19 42.31 1auk s LEU 36 CO 0.83 -1.37 1.93 1.23 0.23 0.00 0.00 176.35 179.21 1auk h GLY 37 N 1.32 1.28 0.63 -3.19 0.00 -1.86 -0.07 103.07 101.17 1auk h GLY 37 Ca -0.50 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1auk h GLY 37 CO 0.57 0.37 0.00 0.00 0.00 0.00 0.00 176.54 177.48 1auk n TYR 39 N -0.81 0.00 0.00 0.00 4.02 -0.06 -5.00 117.16 115.31 1auk n TYR 39 Ca 0.14 -0.58 0.00 0.00 -0.01 0.00 0.00 57.90 57.45 1auk n TYR 39 Cb 0.06 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1auk n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1auk n GLY 40 N -0.67 0.39 3.73 2.72 0.00 -0.84 -4.76 105.19 105.76 1auk n GLY 40 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1auk n GLY 40 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1auk n HIS 41 N -1.59 2.68 0.58 1.61 -0.00 -1.07 -4.88 115.22 112.55 1auk n HIS 41 Ca 0.00 0.36 0.13 0.00 -0.00 0.00 0.00 57.72 58.21 1auk n HIS 41 Cb 0.00 -2.54 0.40 0.00 -0.00 0.00 0.00 29.99 27.85 1auk n HIS 41 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1auk h PRO 42 N 4.05 0.00 0.00 1.57 0.13 -1.92 -3.39 132.00 132.44 1auk h PRO 42 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1auk h PRO 42 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1auk h PRO 42 CO 0.74 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.38 1auk n SER 43 N -2.32 0.07 -4.63 1.44 3.41 -1.26 -5.08 113.62 105.24 1auk n SER 43 Ca 0.05 -0.33 -0.35 0.00 -0.26 0.00 0.00 58.87 57.98 1auk n SER 43 Cb 0.42 0.32 0.10 0.00 -0.26 0.00 0.00 64.21 64.79 1auk n SER 43 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1auk n SER 44 N -0.32 0.60 -3.97 4.04 7.64 -1.26 -4.21 113.62 116.13 1auk n SER 44 Ca 0.00 0.63 -0.31 0.00 1.01 0.00 0.00 58.87 60.20 1auk n SER 44 Cb 0.03 -1.44 -0.15 0.00 -1.01 0.00 0.00 64.21 61.64 1auk n SER 44 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1auk s THR 45 N -1.92 2.03 -0.38 0.44 2.01 -1.26 -4.78 115.64 111.78 1auk s THR 45 Ca 0.73 -2.16 0.12 0.00 0.31 0.00 0.00 61.69 60.69 1auk s THR 45 Cb -0.32 -2.50 0.36 0.00 0.01 0.00 0.00 72.50 70.05 1auk s THR 45 CO 0.51 -0.59 0.77 0.35 -0.69 0.00 0.00 174.62 174.97 1auk n THR 46 N 4.36 0.24 -0.18 -0.82 -2.24 -1.26 -4.27 114.28 110.11 1auk n THR 46 Ca 0.02 -4.53 -0.07 0.00 -2.27 0.00 0.00 64.05 57.21 1auk n THR 46 Cb 0.42 -0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1auk n THR 46 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1auk h PRO 47 N 2.99 0.72 -0.54 -0.78 0.13 -1.94 -0.53 132.00 132.05 1auk h PRO 47 Ca 0.09 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 1auk h PRO 47 Cb 0.95 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1auk h PRO 47 CO 0.53 0.51 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.87 1auk h ASN 48 N 0.71 0.93 0.07 1.44 4.21 -1.94 -1.13 115.58 119.88 1auk h ASN 48 Ca 0.19 -0.27 -0.16 0.00 1.21 0.00 0.00 56.30 57.27 1auk h ASN 48 Cb -0.02 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 36.92 1auk h ASN 48 CO -0.04 1.01 -0.57 -0.07 -1.29 0.00 0.00 177.43 176.48 1auk h LEU 49 N 0.87 0.58 -0.68 1.61 3.38 -1.76 -0.98 115.31 118.33 1auk h LEU 49 Ca 0.15 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1auk h LEU 49 Cb 0.56 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1auk h LEU 49 CO 0.03 1.02 0.34 0.44 0.09 0.00 0.00 178.44 180.37 1auk h ASP 50 N 0.39 0.87 0.16 -0.43 3.32 -0.77 -0.81 116.42 119.16 1auk h ASP 50 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 1auk h ASP 50 Cb 1.11 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1auk h ASP 50 CO 0.10 0.74 -0.40 -0.61 -1.72 0.00 0.00 179.24 177.35 1auk h GLN 51 N 0.93 0.31 -0.54 3.56 4.15 -1.00 0.34 115.11 122.87 1auk h GLN 51 Ca 0.23 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 1auk h GLN 51 Cb 0.09 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1auk h GLN 51 CO -0.03 0.67 0.04 -0.07 -1.93 0.00 0.00 178.83 177.51 1auk h LEU 52 N 0.26 0.86 -0.04 -2.39 3.38 -0.66 -2.11 115.31 114.61 1auk h LEU 52 Ca 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1auk h LEU 52 Cb 0.83 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1auk h LEU 52 CO 0.07 0.90 0.01 0.00 0.09 0.00 0.00 178.44 179.51 1auk h ALA 53 N 1.20 0.06 -0.06 1.53 0.00 -0.43 -2.22 119.26 119.34 1auk h ALA 53 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1auk h ALA 53 Cb 0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1auk h ALA 53 CO 0.02 -0.33 0.07 0.00 0.00 0.00 0.00 179.25 179.00 1auk h ALA 54 N 0.81 1.56 -0.29 0.00 0.00 -0.65 -2.49 119.26 118.20 1auk h ALA 54 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1auk h ALA 54 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1auk h ALA 54 CO -0.00 -0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.56 1auk n GLY 55 N -1.32 3.32 0.00 0.00 0.00 -0.82 -4.83 105.19 101.53 1auk n GLY 55 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1auk n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auk n GLY 56 N 0.03 4.71 3.65 -0.02 0.00 -0.85 -4.37 105.19 108.35 1auk n GLY 56 Ca 0.15 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 1auk n GLY 56 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1auk s LEU 57 N 0.00 4.12 -0.21 0.99 2.96 0.16 -0.76 118.68 125.94 1auk s LEU 57 Ca 0.00 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 1auk s LEU 57 Cb 0.00 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 1auk s LEU 57 CO 0.00 -0.05 0.03 -0.60 -1.32 0.00 0.00 176.35 174.41 1auk s ARG 58 N 1.36 3.66 0.00 1.98 3.52 -0.78 -0.96 118.95 127.74 1auk s ARG 58 Ca 0.14 -0.49 -0.19 0.00 -0.13 0.00 0.00 55.73 55.06 1auk s ARG 58 Cb -0.15 -3.17 -0.06 0.00 -1.56 0.00 0.00 34.95 30.02 1auk s ARG 58 CO 0.07 -0.03 0.55 -0.06 -0.81 0.00 0.00 175.30 175.02 1auk s PHE 59 N 1.15 3.70 -0.05 5.12 0.40 -0.69 -1.55 117.98 126.05 1auk s PHE 59 Ca 0.03 1.16 0.22 0.00 -0.60 0.00 0.00 56.93 57.74 1auk s PHE 59 Cb -0.14 -2.54 -0.31 0.00 0.51 0.00 0.00 43.02 40.54 1auk s PHE 59 CO 0.02 0.42 0.49 0.25 0.70 0.00 0.00 175.22 177.10 1auk n THR 60 N 2.50 0.13 -2.79 0.64 -2.24 -0.65 -4.40 114.28 107.47 1auk n THR 60 Ca -0.09 -0.53 -0.23 0.00 -2.27 0.00 0.00 64.05 60.94 1auk n THR 60 Cb 0.51 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1auk n THR 60 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1auk n ASP 61 N -2.32 3.56 -4.69 3.42 9.92 -1.26 -4.99 116.55 120.19 1auk n ASP 61 Ca -0.06 -3.45 -0.35 0.00 -0.53 0.00 0.00 54.79 50.40 1auk n ASP 61 Cb 0.61 -0.53 -0.09 0.00 -0.64 0.00 0.00 41.12 40.46 1auk n ASP 61 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1auk s PHE 62 N -3.28 3.19 0.18 1.24 2.19 -1.26 -3.18 117.98 117.06 1auk s PHE 62 Ca 0.44 0.20 0.04 0.00 0.33 0.00 0.00 56.93 57.94 1auk s PHE 62 Cb 0.36 -1.81 -0.05 0.00 -1.31 0.00 0.00 43.02 40.21 1auk s PHE 62 CO -0.12 0.46 -0.05 0.71 1.83 0.00 0.00 175.22 178.05 1auk s TYR 63 N -0.82 1.37 0.17 10.12 1.51 -0.57 -1.53 117.35 127.60 1auk s TYR 63 Ca 0.13 -0.85 0.09 0.00 -1.01 0.00 0.00 57.07 55.43 1auk s TYR 63 Cb -0.11 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1auk s TYR 63 CO 0.02 0.00 -0.14 0.14 -1.11 0.00 0.00 175.55 174.46 1auk s VAL 64 N -3.40 2.95 -0.43 0.71 -7.23 -0.38 -1.37 120.40 111.25 1auk s VAL 64 Ca 0.22 -1.70 0.23 0.00 -1.81 0.00 0.00 61.98 58.92 1auk s VAL 64 Cb 0.04 -2.43 0.33 0.00 0.56 0.00 0.00 36.38 34.88 1auk s VAL 64 CO 0.04 -0.07 1.61 1.55 -0.31 0.00 0.00 175.10 177.92 1auk h PRO 65 N 3.14 0.00 -3.24 4.82 0.13 -1.88 -3.45 132.00 131.52 1auk h PRO 65 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 1auk h PRO 65 Cb 1.20 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 1auk h PRO 65 CO 0.51 0.01 -0.58 0.08 -0.23 0.00 0.00 178.00 177.80 1auk s VAL 66 N -3.21 -0.04 -1.08 1.56 1.01 -1.26 -2.44 120.40 114.95 1auk s VAL 66 Ca 0.07 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1auk s VAL 66 Cb 0.05 -0.25 0.29 0.00 0.00 0.00 0.00 36.38 36.47 1auk s VAL 66 CO 0.67 0.06 1.87 -1.54 0.00 0.00 0.00 175.10 176.16 1auk n SER 67 N 4.07 7.32 0.00 3.32 3.41 -1.26 -4.43 113.62 126.05 1auk n SER 67 Ca -0.25 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 54.78 1auk n SER 67 Cb 0.53 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1auk n SER 67 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1auk n LEU 68 N 0.38 0.00 0.00 1.04 4.77 -1.26 -1.84 117.00 120.08 1auk n LEU 68 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1auk n LEU 68 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1auk n LEU 68 CO 0.57 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 177.04 1auk n THR 70 N 0.00 0.00 -0.28 -5.08 -1.04 -1.26 -2.27 114.28 104.35 1auk n THR 70 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 1auk n THR 70 Cb 0.00 0.00 0.41 0.00 -1.82 0.00 0.00 70.33 68.92 1auk n THR 70 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1auk h PRO 71 N 0.00 0.60 -0.36 -2.82 0.13 -1.83 -1.69 132.00 126.03 1auk h PRO 71 Ca 0.00 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 64.94 1auk h PRO 71 Cb 0.00 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 1auk h PRO 71 CO 0.00 0.40 -0.39 1.03 -0.23 0.00 0.00 178.00 178.81 1auk h SER 72 N 0.62 0.97 -0.24 1.44 0.87 -1.67 -1.53 113.55 114.02 1auk h SER 72 Ca 0.48 -0.47 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 1auk h SER 72 Cb 0.89 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1auk h SER 72 CO -0.23 1.25 -0.21 0.03 -0.53 0.00 0.00 176.83 177.13 1auk h ARG 73 N 0.71 0.70 -0.54 2.24 3.08 -1.68 -1.25 114.38 117.64 1auk h ARG 73 Ca 0.05 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 1auk h ARG 73 Cb 0.98 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1auk h ARG 73 CO 0.09 0.86 0.15 0.00 -1.07 0.00 0.00 179.97 180.00 1auk h ALA 74 N 1.15 0.71 -0.59 0.04 0.00 -1.13 -1.67 119.26 117.77 1auk h ALA 74 Ca 0.09 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1auk h ALA 74 Cb 0.70 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1auk h ALA 74 CO 0.05 0.40 0.11 0.00 0.00 0.00 0.00 179.25 179.81 1auk h ALA 75 N 1.02 0.78 -0.04 0.00 0.00 -1.05 -1.65 119.26 118.32 1auk h ALA 75 Ca 0.17 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1auk h ALA 75 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1auk h ALA 75 CO -0.00 0.52 -0.01 1.25 0.00 0.00 0.00 179.25 181.01 1auk h LEU 76 N 0.87 -0.03 -0.51 0.00 5.85 -0.86 -0.56 115.31 120.06 1auk h LEU 76 Ca 0.18 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 1auk h LEU 76 Cb 0.40 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1auk h LEU 76 CO 0.01 -0.01 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.31 1auk h LEU 77 N 0.00 0.00 0.00 2.25 3.38 -1.19 -3.36 115.31 116.40 1auk h LEU 77 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1auk h LEU 77 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1auk h LEU 77 CO -0.04 0.72 -1.39 0.35 0.09 0.00 0.00 178.44 178.17 1auk n THR 78 N -3.62 0.00 -1.94 0.22 -2.24 -0.63 -1.21 114.28 104.86 1auk n THR 78 Ca -0.01 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1auk n THR 78 Cb 0.71 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 1auk n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1auk n GLY 79 N 1.45 0.32 3.09 3.38 0.00 -0.22 -4.94 105.19 108.27 1auk n GLY 79 Ca -0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1auk n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1auk s ARG 80 N -4.07 0.88 0.26 1.61 0.52 -1.24 -1.77 118.95 115.14 1auk s ARG 80 Ca 0.00 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 54.35 1auk s ARG 80 Cb 0.00 -0.85 -0.12 0.00 0.52 0.00 0.00 34.95 34.50 1auk s ARG 80 CO 0.00 0.22 1.62 1.28 0.02 0.00 0.00 175.30 178.44 1auk n LEU 81 N 2.39 4.15 0.11 2.53 4.77 -1.26 -4.09 117.00 125.61 1auk n LEU 81 Ca -0.16 1.12 0.18 0.00 -0.03 0.00 0.00 56.01 57.12 1auk n LEU 81 Cb 0.56 -1.57 0.74 0.00 -2.33 0.00 0.00 43.42 40.81 1auk n LEU 81 CO 0.24 0.10 1.16 -0.65 -1.33 0.00 0.00 177.39 176.91 1auk h PRO 82 N 5.27 0.00 0.00 3.23 0.11 -1.92 -1.18 132.00 137.52 1auk h PRO 82 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1auk h PRO 82 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1auk h PRO 82 CO 0.83 0.00 -0.04 -0.39 -0.21 0.00 0.00 178.00 178.20 1auk h VAL 83 N 0.00 0.10 -0.16 3.15 -1.51 -1.90 -2.32 116.25 113.61 1auk h VAL 83 Ca 0.16 -0.59 -0.08 0.00 -1.23 0.00 0.00 66.70 64.96 1auk h VAL 83 Cb 0.71 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1auk h VAL 83 CO -0.00 0.03 -0.24 0.03 -1.23 0.00 0.00 177.57 176.16 1auk h ARG 84 N 0.00 0.29 -0.35 5.19 3.08 -1.45 0.20 114.38 121.34 1auk h ARG 84 Ca -0.00 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 1auk h ARG 84 Cb 0.53 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.44 1auk h ARG 84 CO 0.00 0.52 -0.16 0.00 -1.07 0.00 0.00 179.97 179.26 1auk n MET 85 N -4.16 1.92 -1.77 0.04 0.00 -1.20 -3.00 117.12 108.95 1auk n MET 85 Ca -0.01 -3.28 -0.15 0.00 0.00 0.00 0.00 57.70 54.26 1auk n MET 85 Cb 0.36 -1.83 -0.04 0.00 0.00 0.00 0.00 33.22 31.71 1auk n MET 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1auk n GLY 86 N -1.10 0.84 2.56 3.17 0.00 -1.21 -4.71 105.19 104.74 1auk n GLY 86 Ca 0.33 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1auk n GLY 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1auk n MET 87 N -2.52 3.87 -3.61 1.61 2.81 -0.88 -0.87 117.12 117.53 1auk n MET 87 Ca -0.16 -3.01 -0.08 0.00 -1.81 0.00 0.00 57.70 52.64 1auk n MET 87 Cb 0.55 -2.85 -0.02 0.00 -0.71 0.00 0.00 33.22 30.20 1auk n MET 87 CO 0.00 0.00 0.00 1.52 1.51 0.00 0.00 175.97 179.00 1auk s TYR 88 N 0.75 -0.32 0.69 2.03 1.13 -1.26 -4.36 117.35 116.01 1auk s TYR 88 Ca 0.54 0.05 -0.06 0.00 -1.41 0.00 0.00 57.07 56.19 1auk s TYR 88 Cb 0.16 0.61 0.15 0.00 -1.10 0.00 0.00 41.96 41.77 1auk s TYR 88 CO -0.06 -0.85 0.94 -0.35 -2.51 0.00 0.00 175.55 172.72 1auk n PRO 89 N -0.38 -0.46 0.00 -3.49 -0.04 -1.26 -3.96 135.00 125.41 1auk n PRO 89 Ca -0.09 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.35 1auk n PRO 89 Cb 0.62 -0.80 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1auk n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1auk n GLY 90 N -1.71 1.19 3.60 0.55 0.00 -1.05 -4.83 105.19 102.94 1auk n GLY 90 Ca 0.14 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1auk n GLY 90 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1auk s VAL 91 N 0.00 1.88 0.41 1.61 -7.23 -1.26 -4.66 120.40 111.14 1auk s VAL 91 Ca 0.00 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.98 1auk s VAL 91 Cb 0.00 -2.96 -0.10 0.00 0.56 0.00 0.00 36.38 33.88 1auk s VAL 91 CO 0.00 0.00 0.89 -0.76 -0.31 0.00 0.00 175.10 174.92 1auk s LEU 92 N -3.68 3.95 0.38 1.32 1.43 -1.26 -5.04 118.68 115.78 1auk s LEU 92 Ca 0.35 1.55 0.08 0.00 -1.03 0.00 0.00 54.13 55.08 1auk s LEU 92 Cb 0.10 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.85 1auk s LEU 92 CO 0.17 -0.33 0.00 0.68 0.23 0.00 0.00 176.35 177.10 1auk s VAL 93 N -2.16 2.24 0.28 -1.59 -7.23 -1.26 -4.97 120.40 105.71 1auk s VAL 93 Ca 0.59 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1auk s VAL 93 Cb -0.09 -2.85 0.27 0.00 0.56 0.00 0.00 36.38 34.26 1auk s VAL 93 CO 0.16 -0.10 1.80 -0.65 -0.31 0.00 0.00 175.10 176.00 1auk h PRO 94 N 1.81 0.79 -0.12 4.82 0.11 -1.99 -1.07 132.00 136.35 1auk h PRO 94 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1auk h PRO 94 Cb 1.25 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1auk h PRO 94 CO 0.74 0.52 0.00 0.43 -0.21 0.00 0.00 178.00 179.48 1auk n SER 95 N -4.74 0.72 -4.76 -2.05 7.64 -1.26 -4.48 113.62 104.68 1auk n SER 95 Ca 0.19 -1.90 -0.41 0.00 1.01 0.00 0.00 58.87 57.76 1auk n SER 95 Cb 0.42 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1auk n SER 95 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1auk s SER 96 N -1.12 6.39 0.11 6.43 0.01 -0.41 -0.11 113.70 125.00 1auk s SER 96 Ca 0.14 2.97 0.05 0.00 1.31 0.00 0.00 55.95 60.41 1auk s SER 96 Cb 0.07 -2.65 -0.23 0.00 0.21 0.00 0.00 66.02 63.42 1auk s SER 96 CO 0.10 -0.86 1.25 0.03 0.41 0.00 0.00 173.24 174.16 1auk h ARG 97 N 3.91 0.06 -7.39 12.44 3.08 -1.32 -3.38 114.38 121.77 1auk h ARG 97 Ca -0.49 -0.09 -0.46 0.00 0.07 0.00 0.00 59.98 59.01 1auk h ARG 97 Cb 1.23 0.04 0.10 0.00 0.08 0.00 0.00 29.97 31.41 1auk h ARG 97 CO 0.71 1.04 0.25 0.20 -1.07 0.00 0.00 179.97 181.11 1auk s GLY 98 N -4.70 1.72 0.11 0.04 0.00 -1.26 -4.68 107.32 98.55 1auk s GLY 98 Ca -0.00 -1.13 -0.25 0.00 0.00 0.00 0.00 44.72 43.33 1auk s GLY 98 CO 0.83 -0.61 1.11 -0.32 0.00 0.00 0.00 173.10 174.12 1auk s GLY 99 N -4.64 -0.10 -0.12 0.20 0.00 -1.26 -4.48 107.32 96.92 1auk s GLY 99 Ca 0.64 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 45.08 1auk s GLY 99 CO 0.47 2.09 2.11 -0.10 0.00 0.00 0.00 173.10 177.67 1auk n LEU 100 N -0.65 3.56 -4.49 0.66 7.94 -0.24 -4.89 117.00 118.89 1auk n LEU 100 Ca -0.03 0.53 -0.46 0.00 -1.11 0.00 0.00 56.01 54.93 1auk n LEU 100 Cb 0.60 -1.52 -0.02 0.00 0.53 0.00 0.00 43.42 43.01 1auk n LEU 100 CO 0.17 -0.31 0.28 -2.65 -1.11 0.00 0.00 177.39 173.77 1auk n PRO 101 N 8.13 0.65 0.23 1.96 -0.02 -1.26 -4.88 135.00 139.81 1auk n PRO 101 Ca 0.26 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 1auk n PRO 101 Cb 0.41 -1.41 0.54 0.00 -0.02 0.00 0.00 33.50 33.02 1auk n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1auk h LEU 102 N 1.52 0.00 -1.84 2.45 3.38 -1.95 -2.64 115.31 116.23 1auk h LEU 102 Ca -0.34 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1auk h LEU 102 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1auk h LEU 102 CO 0.59 0.23 -0.07 1.05 0.09 0.00 0.00 178.44 180.33 1auk h GLU 103 N 0.00 0.00 -6.84 1.13 4.11 -2.00 -3.44 114.58 107.54 1auk h GLU 103 Ca -0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.89 1auk h GLU 103 Cb 0.58 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.92 1auk h GLU 103 CO 0.03 0.07 0.85 0.39 0.07 0.00 0.00 179.01 180.42 1auk n GLU 104 N -3.30 2.70 -3.48 1.06 -0.58 -1.00 -4.98 120.64 111.06 1auk n GLU 104 Ca -0.01 0.96 -0.37 0.00 -0.42 0.00 0.00 57.16 57.32 1auk n GLU 104 Cb 0.26 -2.72 -0.07 0.00 -0.57 0.00 0.00 31.44 28.34 1auk n GLU 104 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1auk s VAL 105 N -0.38 5.27 0.46 2.62 1.01 -1.26 -5.04 120.40 123.09 1auk s VAL 105 Ca 0.60 0.63 0.08 0.00 0.00 0.00 0.00 61.98 63.30 1auk s VAL 105 Cb -0.49 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.25 1auk s VAL 105 CO 0.54 0.36 0.61 0.42 0.00 0.00 0.00 175.10 177.03 1auk s THR 106 N 0.63 2.73 0.25 3.92 -4.23 -1.26 -4.53 115.64 113.15 1auk s THR 106 Ca 0.18 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1auk s THR 106 Cb -0.14 -2.76 0.11 0.00 1.34 0.00 0.00 72.50 71.06 1auk s THR 106 CO 0.05 0.00 1.75 -0.37 -0.54 0.00 0.00 174.62 175.51 1auk h VAL 107 N 0.54 1.25 -0.86 2.29 -1.51 -1.50 -1.75 116.25 114.70 1auk h VAL 107 Ca -0.37 -1.02 0.04 0.00 -1.23 0.00 0.00 66.70 64.11 1auk h VAL 107 Cb 1.28 0.88 -0.05 0.00 -2.13 0.00 0.00 31.29 31.27 1auk h VAL 107 CO 0.45 0.36 0.55 0.00 -1.23 0.00 0.00 177.57 177.70 1auk h ALA 108 N 1.24 1.14 -0.47 5.19 0.00 -1.86 -2.03 119.26 122.47 1auk h ALA 108 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1auk h ALA 108 Cb 0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1auk h ALA 108 CO 0.02 0.38 -0.18 0.93 0.00 0.00 0.00 179.25 180.40 1auk h GLU 109 N 1.07 0.92 -0.71 0.00 5.08 -1.60 0.11 114.58 119.45 1auk h GLU 109 Ca 0.35 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1auk h GLU 109 Cb 0.03 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1auk h GLU 109 CO -0.12 1.02 0.43 0.28 -1.00 0.00 0.00 179.01 179.62 1auk h VAL 110 N 0.81 1.05 0.00 3.13 2.07 -0.99 -2.08 116.25 120.24 1auk h VAL 110 Ca 0.11 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 1auk h VAL 110 Cb 0.73 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1auk h VAL 110 CO 0.06 0.15 -0.86 -0.07 0.02 0.00 0.00 177.57 176.87 1auk h LEU 111 N 0.82 0.00 -0.14 2.57 4.07 -1.12 -3.31 115.31 118.20 1auk h LEU 111 Ca 0.30 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.23 1auk h LEU 111 Cb 0.09 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 1auk h LEU 111 CO -0.14 0.75 -0.02 0.00 -1.08 0.00 0.00 178.44 177.95 1auk h ALA 112 N 1.25 0.18 0.00 1.53 0.00 -0.46 0.13 119.26 121.90 1auk h ALA 112 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1auk h ALA 112 Cb 1.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1auk h ALA 112 CO 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1auk n ALA 113 N -2.32 1.47 0.17 0.00 0.00 -0.81 0.43 120.51 119.45 1auk n ALA 113 Ca -0.06 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.41 1auk n ALA 113 Cb 0.23 -1.07 0.09 0.00 0.00 0.00 0.00 19.45 18.70 1auk n ALA 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1auk n ARG 114 N -1.20 1.55 -0.48 0.00 3.00 -1.03 -4.97 116.66 113.53 1auk n ARG 114 Ca 0.02 -1.53 0.00 0.00 -0.00 0.00 0.00 57.85 56.34 1auk n ARG 114 Cb 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.26 1auk n ARG 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1auk n GLY 115 N 0.54 0.70 3.78 5.14 0.00 0.17 -5.06 105.19 110.47 1auk n GLY 115 Ca 0.08 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1auk n GLY 115 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1auk s TYR 116 N -2.00 3.63 -0.45 1.61 1.51 0.01 -4.57 117.35 117.09 1auk s TYR 116 Ca 0.00 1.76 -0.23 0.00 -1.01 0.00 0.00 57.07 57.59 1auk s TYR 116 Cb 0.00 -2.93 0.03 0.00 -0.11 0.00 0.00 41.96 38.95 1auk s TYR 116 CO 0.00 0.13 0.80 -1.17 -1.11 0.00 0.00 175.55 174.20 1auk s LEU 117 N -2.19 4.23 -0.13 -1.29 2.96 -0.75 -4.46 118.68 117.05 1auk s LEU 117 Ca 0.52 -0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 1auk s LEU 117 Cb -0.18 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 1auk s LEU 117 CO 0.23 -0.92 0.10 0.42 -1.32 0.00 0.00 176.35 174.86 1auk s THR 118 N 3.32 5.17 0.03 3.68 -4.23 -1.26 -2.20 115.64 120.15 1auk s THR 118 Ca 0.30 0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 1auk s THR 118 Cb -0.12 -3.27 -0.02 0.00 1.34 0.00 0.00 72.50 70.44 1auk s THR 118 CO 0.23 0.57 0.04 -0.83 -0.54 0.00 0.00 174.62 174.09 1auk s GLY 119 N -0.63 0.22 -0.04 3.99 0.00 -0.40 -0.40 107.32 110.05 1auk s GLY 119 Ca 0.12 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1auk s GLY 119 CO 0.02 -0.71 -0.04 -0.29 0.00 0.00 0.00 173.10 172.09 1auk s MET 120 N -2.23 0.74 -0.05 2.90 -2.45 -0.83 -0.49 119.30 116.89 1auk s MET 120 Ca -0.08 -0.07 0.04 0.00 -1.25 0.00 0.00 55.69 54.32 1auk s MET 120 Cb -0.04 -0.78 -0.03 0.00 1.25 0.00 0.00 34.83 35.23 1auk s MET 120 CO -0.03 -0.09 -0.14 0.00 1.05 0.00 0.00 175.02 175.80 1auk s ALA 121 N 0.95 2.66 0.00 4.11 0.00 -0.57 -1.77 121.76 127.14 1auk s ALA 121 Ca -0.11 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1auk s ALA 121 Cb -0.14 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1auk s ALA 121 CO -0.00 0.56 0.00 0.41 0.00 0.00 0.00 175.76 176.73 1auk n GLY 122 N 2.27 -0.71 3.70 0.00 0.00 -0.75 -0.97 105.19 108.73 1auk n GLY 122 Ca -0.17 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1auk n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1auk s LYS 123 N 0.00 4.32 -0.05 1.61 2.20 -0.35 -2.87 119.74 124.60 1auk s LYS 123 Ca 0.00 1.97 -0.05 0.00 -0.36 0.00 0.00 55.97 57.54 1auk s LYS 123 Cb 0.00 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1auk s LYS 123 CO 0.00 -0.47 -0.09 1.87 -0.36 0.00 0.00 175.35 176.30 1auk n TRP 124 N 4.58 0.06 -1.81 4.03 -0.00 -0.82 -4.77 117.44 118.71 1auk n TRP 124 Ca 0.12 0.03 -0.20 0.00 -0.00 0.00 0.00 57.50 57.44 1auk n TRP 124 Cb 0.44 -0.21 -0.06 0.00 -0.00 0.00 0.00 31.31 31.48 1auk n TRP 124 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 1auk n HIS 125 N -3.06 -0.33 -0.95 5.87 -0.00 -0.62 -4.85 115.22 111.27 1auk n HIS 125 Ca -0.04 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.23 1auk n HIS 125 Cb 0.14 -3.52 0.27 0.00 -0.12 0.00 0.00 29.99 26.76 1auk n HIS 125 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1auk n LEU 126 N -2.51 3.97 0.00 0.27 4.77 -1.26 -4.61 117.00 117.62 1auk n LEU 126 Ca -0.21 -2.97 0.00 0.00 -0.03 0.00 0.00 56.01 52.80 1auk n LEU 126 Cb 0.66 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1auk n LEU 126 CO 0.30 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1auk n GLY 127 N -0.38 3.03 1.11 -0.72 0.00 -1.26 -1.07 105.19 105.90 1auk n GLY 127 Ca 0.21 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1auk n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1auk n VAL 128 N -0.17 0.32 -0.30 1.61 0.31 -1.26 -3.85 118.33 114.99 1auk n VAL 128 Ca 0.00 0.10 0.04 0.00 -0.01 0.00 0.00 64.34 64.47 1auk n VAL 128 Cb 0.00 -1.07 -0.01 0.00 -0.91 0.00 0.00 33.84 31.85 1auk n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1auk n GLY 129 N 3.30 -1.86 3.55 2.92 0.00 -1.26 -1.40 105.19 110.44 1auk n GLY 129 Ca 0.00 -1.43 -0.47 0.00 0.00 0.00 0.00 46.02 44.12 1auk n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1auk n PRO 130 N -2.47 1.65 -2.44 1.61 -0.04 -1.26 -1.11 135.00 130.94 1auk n PRO 130 Ca -0.00 0.48 -0.18 0.00 -0.04 0.00 0.00 63.50 63.76 1auk n PRO 130 Cb 0.14 -2.85 -0.00 0.00 -0.04 0.00 0.00 33.50 30.75 1auk n PRO 130 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1auk n GLU 131 N 8.24 -1.93 -3.26 0.54 -0.00 -1.26 -2.82 120.64 120.15 1auk n GLU 131 Ca 0.33 0.84 -0.21 0.00 -0.00 0.00 0.00 57.16 58.12 1auk n GLU 131 Cb 0.34 -5.34 0.06 0.00 -0.00 0.00 0.00 31.44 26.50 1auk n GLU 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1auk n GLY 132 N -1.09 -0.40 0.26 -1.84 0.00 -0.26 -4.90 105.19 96.96 1auk n GLY 132 Ca -0.19 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1auk n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auk h ALA 133 N 0.91 1.26 -0.02 4.61 0.00 -1.30 -2.78 119.26 121.94 1auk h ALA 133 Ca -0.50 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1auk h ALA 133 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1auk h ALA 133 CO 0.51 0.14 -0.44 1.19 0.00 0.00 0.00 179.25 180.65 1auk n PHE 134 N -3.60 0.00 -0.89 0.00 3.72 -0.50 -4.79 117.46 111.41 1auk n PHE 134 Ca -0.02 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 1auk n PHE 134 Cb 0.24 -0.01 0.14 0.00 -0.94 0.00 0.00 39.48 38.91 1auk n PHE 134 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1auk s LEU 135 N -2.47 2.81 0.27 4.37 1.43 -1.05 -4.71 118.68 119.34 1auk s LEU 135 Ca 0.20 2.03 -0.03 0.00 -1.03 0.00 0.00 54.13 55.30 1auk s LEU 135 Cb 0.18 -4.49 0.57 0.00 0.03 0.00 0.00 46.19 42.48 1auk s LEU 135 CO 0.56 -2.79 1.64 -0.65 0.23 0.00 0.00 176.35 175.33 1auk h PRO 136 N -1.65 0.14 -0.75 1.29 0.11 -1.90 -1.78 132.00 127.46 1auk h PRO 136 Ca -0.44 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.88 1auk h PRO 136 Cb 1.26 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1auk h PRO 136 CO 0.45 0.09 0.56 -1.35 -0.21 0.00 0.00 178.00 177.54 1auk h PRO 137 N 0.14 0.00 -0.01 1.05 0.11 -1.91 1.04 132.00 132.42 1auk h PRO 137 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 1auk h PRO 137 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1auk h PRO 137 CO -0.68 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 177.83 1auk n HIS 138 N -4.23 0.00 -2.29 0.65 8.25 -0.67 -4.04 115.22 112.90 1auk n HIS 138 Ca 0.15 -0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.43 1auk n HIS 138 Cb 0.83 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.97 1auk n HIS 138 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1auk n GLN 139 N -0.60 3.05 -0.57 -0.41 1.13 0.36 -4.97 117.38 115.37 1auk n GLN 139 Ca 0.22 -4.00 0.00 0.00 -1.94 0.00 0.00 57.00 51.28 1auk n GLN 139 Cb 0.19 -2.07 0.00 0.00 0.11 0.00 0.00 30.24 28.46 1auk n GLN 139 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1auk n GLY 140 N -0.64 0.90 3.71 1.08 0.00 -1.23 -4.28 105.19 104.72 1auk n GLY 140 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 1auk n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1auk s PHE 141 N -3.19 3.51 0.06 1.61 0.08 -1.20 -4.39 117.98 114.46 1auk s PHE 141 Ca 0.00 0.99 -0.16 0.00 0.12 0.00 0.00 56.93 57.88 1auk s PHE 141 Cb 0.00 -2.66 -0.19 0.00 -0.57 0.00 0.00 43.02 39.60 1auk s PHE 141 CO 0.00 0.09 1.22 0.45 -0.10 0.00 0.00 175.22 176.88 1auk h HIS 142 N 6.87 0.83 -4.02 0.36 3.86 -1.08 -3.37 115.15 118.60 1auk h HIS 142 Ca -0.39 -0.39 -0.69 0.00 -1.16 0.00 0.00 60.37 57.73 1auk h HIS 142 Cb 1.18 -0.12 -0.23 0.00 1.06 0.00 0.00 27.41 29.30 1auk h HIS 142 CO 0.64 1.20 -0.87 1.03 0.86 0.00 0.00 177.93 180.79 1auk s ARG 143 N -3.58 1.54 -0.24 2.45 0.52 -1.04 -5.01 118.95 113.58 1auk s ARG 143 Ca -0.12 -1.27 -0.07 0.00 -0.52 0.00 0.00 55.73 53.75 1auk s ARG 143 Cb 0.06 -1.94 0.11 0.00 0.52 0.00 0.00 34.95 33.71 1auk s ARG 143 CO 0.86 0.47 0.51 0.12 0.02 0.00 0.00 175.30 177.28 1auk s PHE 144 N -0.98 -1.05 -0.30 -0.53 5.36 -1.26 -1.97 117.98 117.25 1auk s PHE 144 Ca 0.13 1.78 0.02 0.00 -0.96 0.00 0.00 56.93 57.90 1auk s PHE 144 Cb -0.10 0.48 0.09 0.00 -0.34 0.00 0.00 43.02 43.15 1auk s PHE 144 CO 0.05 -0.59 0.02 -1.17 -1.46 0.00 0.00 175.22 172.07 1auk s LEU 145 N 2.73 3.39 0.00 6.12 2.96 -0.73 0.11 118.68 133.25 1auk s LEU 145 Ca -0.01 -1.70 0.00 0.00 -0.22 0.00 0.00 54.13 52.21 1auk s LEU 145 Cb -0.12 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.28 1auk s LEU 145 CO -0.16 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 1auk n GLY 146 N 4.54 -1.25 3.80 7.98 0.00 -0.51 -1.81 105.19 117.94 1auk n GLY 146 Ca -0.03 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 1auk n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1auk s ILE 147 N -2.61 5.14 -1.68 -0.61 1.01 -1.14 -1.14 121.20 120.18 1auk s ILE 147 Ca 0.00 0.77 0.30 0.00 0.00 0.00 0.00 60.65 61.72 1auk s ILE 147 Cb 0.00 -3.70 0.68 0.00 0.01 0.00 0.00 42.46 39.45 1auk s ILE 147 CO 0.00 0.50 2.09 -0.81 0.00 0.00 0.00 174.94 176.72 1auk n PRO 148 N 2.52 0.66 -0.84 2.79 -0.04 -1.26 -1.94 135.00 136.89 1auk n PRO 148 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1auk n PRO 148 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1auk n PRO 148 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1auk n TYR 149 N -1.16 -0.75 -2.06 0.54 0.18 -1.26 -1.59 117.16 111.06 1auk n TYR 149 Ca 0.18 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.63 1auk n TYR 149 Cb 0.18 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.15 1auk n TYR 149 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1auk s SER 150 N -0.39 5.81 0.00 9.48 0.01 -1.26 -4.58 113.70 122.77 1auk s SER 150 Ca 0.00 1.82 0.11 0.00 1.31 0.00 0.00 55.95 59.19 1auk s SER 150 Cb 0.00 -2.53 0.68 0.00 0.21 0.00 0.00 66.02 64.38 1auk s SER 150 CO 0.00 -1.15 1.20 0.00 0.41 0.00 0.00 173.24 173.70 1auk n HIS 151 N -2.00 0.00 0.30 2.43 1.44 -1.26 -0.85 115.22 115.28 1auk n HIS 151 Ca 0.09 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.83 1auk n HIS 151 Cb 0.53 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.65 1auk n HIS 151 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1auk n ASP 152 N -0.76 1.30 -3.24 4.39 5.75 -1.26 -4.70 116.55 118.03 1auk n ASP 152 Ca 0.09 -1.15 -0.37 0.00 -0.01 0.00 0.00 54.79 53.35 1auk n ASP 152 Cb 0.04 0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 1auk n ASP 152 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1auk n GLN 153 N 0.06 3.92 0.00 0.11 6.02 -0.03 -2.51 117.38 124.95 1auk n GLN 153 Ca 0.03 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.30 1auk n GLN 153 Cb 0.16 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 28.80 1auk n GLN 153 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1auk n GLY 154 N 2.42 0.71 3.76 1.08 0.00 -1.25 -4.80 105.19 107.10 1auk n GLY 154 Ca 0.67 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1auk n GLY 154 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1auk s PRO 155 N -2.00 4.20 0.00 1.61 0.04 -0.66 -3.76 135.00 134.44 1auk s PRO 155 Ca 0.00 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1auk s PRO 155 Cb 0.00 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.50 1auk s PRO 155 CO 0.00 -0.46 0.54 0.00 0.04 0.00 0.00 177.00 177.11 1auk h GLN 157 N 0.00 0.00 -0.01 0.00 -0.00 -1.86 -1.13 115.11 112.10 1auk h GLN 157 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1auk h GLN 157 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.26 1auk h GLN 157 CO 0.00 0.00 -0.34 0.09 -0.00 0.00 0.00 178.83 178.58 1auk n ASN 158 N -3.23 1.77 -4.81 0.06 5.03 -1.26 -4.79 115.26 108.04 1auk n ASN 158 Ca -0.03 -1.39 -0.34 0.00 0.87 0.00 0.00 54.58 53.70 1auk n ASN 158 Cb 0.12 0.44 -0.06 0.00 -1.02 0.00 0.00 39.78 39.26 1auk n ASN 158 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1auk s LEU 159 N -2.09 4.00 -0.12 3.41 1.43 -0.43 -4.97 118.68 119.91 1auk s LEU 159 Ca 0.15 1.80 -0.22 0.00 -1.03 0.00 0.00 54.13 54.83 1auk s LEU 159 Cb 0.14 -4.43 -0.03 0.00 0.03 0.00 0.00 46.19 41.90 1auk s LEU 159 CO 0.43 -0.42 0.66 -0.89 0.23 0.00 0.00 176.35 176.36 1auk s THR 160 N -2.00 5.05 -0.22 5.49 2.01 -1.26 -1.39 115.64 123.31 1auk s THR 160 Ca 0.61 1.31 0.09 0.00 0.31 0.00 0.00 61.69 64.00 1auk s THR 160 Cb -0.13 -3.99 -0.21 0.00 0.01 0.00 0.00 72.50 68.18 1auk s THR 160 CO 0.17 0.20 -0.03 0.00 -0.69 0.00 0.00 174.62 174.28 1auk s PHE 162 N -2.51 1.09 0.64 0.00 0.08 -1.07 -2.41 117.98 113.79 1auk s PHE 162 Ca -0.23 -0.42 -0.15 0.00 0.12 0.00 0.00 56.93 56.26 1auk s PHE 162 Cb 0.08 -0.93 -0.01 0.00 -0.57 0.00 0.00 43.02 41.58 1auk s PHE 162 CO 0.72 -0.32 1.09 -1.25 -0.10 0.00 0.00 175.22 175.35 1auk s PRO 163 N 1.28 2.99 0.12 0.24 0.04 -1.26 -0.06 135.00 138.35 1auk s PRO 163 Ca -0.04 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.26 1auk s PRO 163 Cb -0.14 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 1auk s PRO 163 CO -0.02 -1.09 1.29 -1.00 0.04 0.00 0.00 177.00 176.22 1auk h PRO 164 N 0.14 0.41 -0.15 0.56 0.13 -2.00 -3.44 132.00 127.66 1auk h PRO 164 Ca -0.47 -0.45 -0.19 0.00 -0.87 0.00 0.00 66.00 64.02 1auk h PRO 164 Cb 1.24 0.13 -0.33 0.00 0.13 0.00 0.00 31.00 32.17 1auk h PRO 164 CO 0.55 1.12 -0.86 0.00 -0.23 0.00 0.00 178.00 178.58 1auk n ALA 165 N -2.54 2.71 -2.63 -0.56 0.00 -1.22 -5.06 120.51 111.21 1auk n ALA 165 Ca -0.07 -2.08 -0.43 0.00 0.00 0.00 0.00 53.44 50.86 1auk n ALA 165 Cb 0.85 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 1auk n ALA 165 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1auk s THR 166 N -1.34 4.49 0.64 0.00 2.01 0.92 -4.95 115.64 117.41 1auk s THR 166 Ca 0.23 1.72 -0.17 0.00 0.31 0.00 0.00 61.69 63.78 1auk s THR 166 Cb 0.32 -4.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1auk s THR 166 CO -0.09 -0.48 1.20 -2.16 -0.69 0.00 0.00 174.62 172.40 1auk s PRO 167 N 3.67 2.73 0.36 4.92 0.05 -1.26 0.66 135.00 146.13 1auk s PRO 167 Ca 0.46 1.77 -0.28 0.00 0.05 0.00 0.00 61.00 62.99 1auk s PRO 167 Cb -0.12 -1.91 -0.11 0.00 0.05 0.00 0.00 34.50 32.41 1auk s PRO 167 CO 0.16 -1.38 1.45 0.00 0.05 0.00 0.00 177.00 177.28 1auk s ASP 169 N -0.19 6.87 0.00 0.00 -4.77 -1.26 -4.32 116.67 113.00 1auk s ASP 169 Ca 0.52 1.45 0.00 0.00 -3.30 0.00 0.00 52.55 51.23 1auk s ASP 169 Cb -0.45 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 38.94 1auk s ASP 169 CO 0.60 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.84 1auk n GLY 170 N -0.37 2.15 2.64 2.12 0.00 -1.26 -4.51 105.19 105.96 1auk n GLY 170 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1auk n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1auk n GLY 171 N -2.00 2.63 7.00 -0.02 0.00 -1.26 -4.97 105.19 106.57 1auk n GLY 171 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1auk n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auk s ASP 173 N -4.00 7.13 0.35 0.00 1.01 -1.04 -4.83 116.67 115.28 1auk s ASP 173 Ca 0.00 1.99 0.03 0.00 0.71 0.00 0.00 52.55 55.28 1auk s ASP 173 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1auk s ASP 173 CO 0.00 -0.42 0.52 -1.10 0.21 0.00 0.00 175.17 174.38 1auk s GLN 174 N 0.89 3.26 -0.25 8.23 -1.52 -1.26 -1.65 119.66 127.36 1auk s GLN 174 Ca 0.57 -0.66 0.00 0.00 -1.95 0.00 0.00 55.36 53.32 1auk s GLN 174 Cb -0.29 -2.73 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 1auk s GLN 174 CO 0.30 0.07 0.00 0.41 -0.25 0.00 0.00 175.29 175.82 1auk n GLY 175 N -1.74 0.56 3.51 3.09 0.00 -1.26 -4.96 105.19 104.39 1auk n GLY 175 Ca -0.03 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 1auk n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1auk s LEU 176 N -0.53 2.45 0.49 0.99 1.43 -1.26 -4.92 118.68 117.32 1auk s LEU 176 Ca 0.00 -1.36 -0.23 0.00 -1.03 0.00 0.00 54.13 51.51 1auk s LEU 176 Cb 0.00 -0.58 -0.07 0.00 0.03 0.00 0.00 46.19 45.57 1auk s LEU 176 CO 0.00 -0.53 1.27 0.54 0.23 0.00 0.00 176.35 177.86 1auk s VAL 177 N -3.07 2.58 0.96 -1.59 0.11 -1.26 -4.54 120.40 113.59 1auk s VAL 177 Ca 0.36 0.45 -0.11 0.00 -2.93 0.00 0.00 61.98 59.74 1auk s VAL 177 Cb 0.09 -3.23 0.14 0.00 -1.53 0.00 0.00 36.38 31.84 1auk s VAL 177 CO 0.16 0.01 0.92 -2.65 -3.33 0.00 0.00 175.10 170.21 1auk n PRO 178 N -0.61 -0.68 -2.17 1.54 -0.02 -1.26 -4.54 135.00 127.26 1auk n PRO 178 Ca 0.08 -0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 1auk n PRO 178 Cb 0.46 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1auk n PRO 178 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1auk s ILE 179 N -2.54 3.56 -0.08 4.25 1.10 -1.26 -4.86 121.20 121.37 1auk s ILE 179 Ca 0.64 0.98 -0.19 0.00 -0.51 0.00 0.00 60.65 61.58 1auk s ILE 179 Cb -0.22 -3.63 -0.05 0.00 0.15 0.00 0.00 42.46 38.71 1auk s ILE 179 CO 0.61 0.01 0.51 -2.16 -2.11 0.00 0.00 174.94 171.80 1auk s PRO 180 N 2.29 4.29 -0.32 3.50 0.04 -1.26 -3.87 135.00 139.67 1auk s PRO 180 Ca 0.65 0.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.07 1auk s PRO 180 Cb -0.33 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.80 1auk s PRO 180 CO 0.28 0.26 0.37 -1.17 0.04 0.00 0.00 177.00 176.78 1auk s LEU 181 N 0.26 4.29 0.06 -3.56 2.96 -0.82 -4.26 118.68 117.61 1auk s LEU 181 Ca 0.27 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1auk s LEU 181 Cb -0.16 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1auk s LEU 181 CO 0.12 -0.30 0.02 -0.76 -1.32 0.00 0.00 176.35 174.12 1auk s LEU 182 N 2.06 3.56 -0.33 -0.68 1.43 -0.29 -0.42 118.68 124.01 1auk s LEU 182 Ca 0.13 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1auk s LEU 182 Cb -0.16 -2.20 0.08 0.00 0.03 0.00 0.00 46.19 43.94 1auk s LEU 182 CO 0.11 0.21 0.03 0.00 0.23 0.00 0.00 176.35 176.94 1auk s ALA 183 N -1.26 2.86 0.00 4.21 0.00 -0.27 -1.42 121.76 125.89 1auk s ALA 183 Ca 0.25 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1auk s ALA 183 Cb -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1auk s ALA 183 CO 0.16 -1.50 0.00 0.09 0.00 0.00 0.00 175.76 174.51 1auk n ASN 184 N 4.45 0.00 -0.97 0.00 3.02 0.12 -0.55 115.26 121.32 1auk n ASN 184 Ca -0.05 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.59 1auk n ASN 184 Cb 0.42 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.79 1auk n ASN 184 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1auk n LEU 185 N 0.00 3.23 -4.61 3.41 4.77 -1.26 -4.90 117.00 117.64 1auk n LEU 185 Ca 0.00 -1.66 -0.34 0.00 -0.03 0.00 0.00 56.01 53.98 1auk n LEU 185 Cb 0.00 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 40.72 1auk n LEU 185 CO 0.00 0.74 -0.35 -0.44 -1.33 0.00 0.00 177.39 176.01 1auk s SER 186 N -1.20 4.88 -0.28 -1.43 0.01 0.28 -5.05 113.70 110.91 1auk s SER 186 Ca 0.33 0.03 -0.28 0.00 1.31 0.00 0.00 55.95 57.34 1auk s SER 186 Cb 0.19 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.04 1auk s SER 186 CO 0.26 0.34 1.92 -0.69 0.41 0.00 0.00 173.24 175.48 1auk s VAL 187 N -0.69 3.34 -0.29 3.43 1.01 -1.26 -1.11 120.40 124.83 1auk s VAL 187 Ca 0.11 0.34 0.20 0.00 0.00 0.00 0.00 61.98 62.63 1auk s VAL 187 Cb -0.11 -3.44 0.15 0.00 0.00 0.00 0.00 36.38 32.97 1auk s VAL 187 CO 0.02 -0.27 1.37 -0.08 0.00 0.00 0.00 175.10 176.14 1auk h GLU 188 N 13.41 0.00 -1.47 2.72 4.81 -1.07 -3.48 114.58 129.51 1auk h GLU 188 Ca -0.36 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.03 1auk h GLU 188 Cb 1.19 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.34 1auk h GLU 188 CO 1.01 0.17 0.70 0.00 -0.73 0.00 0.00 179.01 180.16 1auk s ALA 189 N -3.14 -2.00 -0.31 2.92 0.00 -1.14 -5.01 121.76 113.08 1auk s ALA 189 Ca 0.04 1.62 -0.01 0.00 0.00 0.00 0.00 51.96 53.61 1auk s ALA 189 Cb 0.07 -0.73 0.19 0.00 0.00 0.00 0.00 23.12 22.65 1auk s ALA 189 CO 0.73 -0.37 0.80 -1.14 0.00 0.00 0.00 175.76 175.77 1auk s GLN 190 N -1.49 0.40 0.49 0.00 0.74 -0.33 -1.94 119.66 117.53 1auk s GLN 190 Ca 0.04 0.27 -0.02 0.00 0.05 0.00 0.00 55.36 55.70 1auk s GLN 190 Cb -0.01 0.15 -0.01 0.00 1.10 0.00 0.00 33.01 34.25 1auk s GLN 190 CO -0.03 -0.71 0.74 -1.25 -0.55 0.00 0.00 175.29 173.49 1auk s PRO 191 N 2.71 3.10 1.01 1.67 0.04 -1.26 -0.33 135.00 141.95 1auk s PRO 191 Ca 0.18 -0.26 -0.13 0.00 0.04 0.00 0.00 61.00 60.82 1auk s PRO 191 Cb -0.05 -2.46 0.19 0.00 0.04 0.00 0.00 34.50 32.22 1auk s PRO 191 CO -0.22 -0.37 1.11 -1.25 0.04 0.00 0.00 177.00 176.31 1auk s PRO 192 N -4.69 0.32 -0.46 0.56 0.04 -1.25 -4.63 135.00 124.89 1auk s PRO 192 Ca 0.49 0.34 -0.20 0.00 0.04 0.00 0.00 61.00 61.68 1auk s PRO 192 Cb -0.10 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.73 1auk s PRO 192 CO 0.41 -2.77 0.62 -0.46 0.04 0.00 0.00 177.00 174.84 1auk s TRP 193 N -3.07 3.06 0.17 0.56 -0.00 -1.26 -4.98 118.94 113.42 1auk s TRP 193 Ca 0.66 -0.26 -0.15 0.00 -0.00 0.00 0.00 56.10 56.34 1auk s TRP 193 Cb -0.16 -3.37 0.13 0.00 -0.00 0.00 0.00 33.47 30.07 1auk s TRP 193 CO 0.56 -0.92 1.68 -0.07 -0.00 0.00 0.00 176.95 178.21 1auk h LEU 194 N 9.65 -0.24 0.00 5.86 3.38 -1.94 -1.34 115.31 130.68 1auk h LEU 194 Ca -0.26 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1auk h LEU 194 Cb 1.10 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1auk h LEU 194 CO 0.91 -0.08 0.04 -2.65 0.09 0.00 0.00 178.44 176.75 1auk n PRO 195 N -5.24 0.00 0.00 1.13 -0.02 -1.26 -1.41 135.00 128.20 1auk n PRO 195 Ca 0.03 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1auk n PRO 195 Cb 0.23 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1auk n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1auk n GLY 196 N -1.30 -0.73 0.30 -1.23 0.00 -0.52 -3.57 105.19 98.15 1auk n GLY 196 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1auk n GLY 196 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1auk h LEU 197 N 0.00 0.75 0.00 0.99 3.38 -1.12 -2.46 115.31 116.85 1auk h LEU 197 Ca 0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1auk h LEU 197 Cb 0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1auk h LEU 197 CO 0.00 0.48 -0.16 -0.08 0.09 0.00 0.00 178.44 178.77 1auk h GLU 198 N 0.88 -0.26 -0.56 1.13 4.22 -1.85 -0.40 114.58 117.75 1auk h GLU 198 Ca 0.36 0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.91 1auk h GLU 198 Cb 0.19 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 1auk h GLU 198 CO -0.18 -0.17 0.15 0.00 -2.18 0.00 0.00 179.01 176.62 1auk h ALA 199 N 0.66 0.67 0.16 2.92 0.00 -1.83 0.22 119.26 122.05 1auk h ALA 199 Ca 0.05 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1auk h ALA 199 Cb 0.34 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1auk h ALA 199 CO -0.16 -0.27 -0.39 0.00 0.00 0.00 0.00 179.25 178.43 1auk h ARG 200 N 0.30 -0.62 -0.95 0.00 3.08 -0.98 -0.53 114.38 114.68 1auk h ARG 200 Ca 0.29 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.43 1auk h ARG 200 Cb 0.39 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 1auk h ARG 200 CO -0.34 -0.41 0.62 1.88 -1.07 0.00 0.00 179.97 180.64 1auk h TYR 201 N -0.65 1.13 -0.51 3.04 0.05 0.20 -1.48 116.97 118.76 1auk h TYR 201 Ca 0.02 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.76 1auk h TYR 201 Cb 0.66 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 1auk h TYR 201 CO -0.33 0.61 0.05 0.52 -1.05 0.00 0.00 178.16 177.97 1auk h MET 202 N 1.13 0.86 -0.31 4.88 2.86 -0.08 -2.08 114.93 122.19 1auk h MET 202 Ca 0.39 -0.25 0.04 0.00 -2.06 0.00 0.00 59.70 57.83 1auk h MET 202 Cb 0.11 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1auk h MET 202 CO -0.14 0.87 0.08 0.00 1.06 0.00 0.00 176.91 178.78 1auk h ALA 203 N 0.96 0.34 -0.79 6.32 0.00 -0.14 0.05 119.26 126.00 1auk h ALA 203 Ca 0.15 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1auk h ALA 203 Cb 0.45 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1auk h ALA 203 CO 0.02 -0.33 0.47 0.35 0.00 0.00 0.00 179.25 179.76 1auk h PHE 204 N 0.20 0.86 -0.21 0.00 3.04 -1.25 -1.92 116.94 117.67 1auk h PHE 204 Ca 0.14 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 1auk h PHE 204 Cb 0.14 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1auk h PHE 204 CO -0.16 0.42 -0.00 0.00 -2.02 0.00 0.00 178.31 176.55 1auk h ALA 205 N 1.39 0.29 -0.49 2.41 0.00 -0.47 -2.30 119.26 120.08 1auk h ALA 205 Ca 0.35 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1auk h ALA 205 Cb 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1auk h ALA 205 CO -0.18 0.01 0.17 1.25 0.00 0.00 0.00 179.25 180.50 1auk h HIS 206 N 0.14 0.30 -0.25 0.00 -0.00 -0.78 -2.12 115.15 112.43 1auk h HIS 206 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1auk h HIS 206 Cb 0.41 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 1auk h HIS 206 CO 0.04 0.09 0.17 -0.44 -0.00 0.00 0.00 177.93 177.78 1auk h ASP 207 N 0.34 0.29 -0.86 3.26 3.32 -1.29 -2.11 116.42 119.37 1auk h ASP 207 Ca 0.24 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.37 1auk h ASP 207 Cb 0.26 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 1auk h ASP 207 CO -0.25 0.21 0.51 0.25 -1.72 0.00 0.00 179.24 178.24 1auk h LEU 208 N 0.34 0.76 0.68 1.55 5.85 -1.15 -0.34 115.31 123.00 1auk h LEU 208 Ca 0.09 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1auk h LEU 208 Cb -0.04 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 40.88 1auk h LEU 208 CO -0.02 0.45 -0.33 0.24 -0.34 0.00 0.00 178.44 178.44 1auk h MET 209 N 0.87 -0.88 -0.31 1.25 2.86 -1.09 -2.54 114.93 115.09 1auk h MET 209 Ca 0.40 0.06 0.07 0.00 -2.06 0.00 0.00 59.70 58.17 1auk h MET 209 Cb 0.31 0.20 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 1auk h MET 209 CO -0.23 -0.58 -0.30 0.00 1.06 0.00 0.00 176.91 176.86 1auk h ALA 210 N -1.20 -0.19 -0.72 6.32 0.00 -1.26 -0.37 119.26 121.84 1auk h ALA 210 Ca -0.09 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1auk h ALA 210 Cb 0.71 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1auk h ALA 210 CO 0.15 -0.72 0.36 -0.44 0.00 0.00 0.00 179.25 178.61 1auk h ASP 211 N -0.27 0.46 -0.52 0.00 5.19 -1.13 -0.45 116.42 119.70 1auk h ASP 211 Ca 0.15 0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1auk h ASP 211 Cb 0.52 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1auk h ASP 211 CO -0.47 0.26 0.18 0.00 -3.12 0.00 0.00 179.24 176.09 1auk h ALA 212 N 1.44 0.68 0.26 3.45 0.00 -0.88 -2.34 119.26 121.88 1auk h ALA 212 Ca 0.36 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1auk h ALA 212 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1auk h ALA 212 CO -0.28 0.32 -0.40 0.37 0.00 0.00 0.00 179.25 179.25 1auk h GLN 213 N 0.71 -0.71 -0.94 0.00 4.15 0.36 -1.55 115.11 117.15 1auk h GLN 213 Ca 0.17 0.05 0.25 0.00 0.77 0.00 0.00 58.65 59.88 1auk h GLN 213 Cb 0.24 0.16 -0.13 0.00 0.21 0.00 0.00 27.48 27.96 1auk h GLN 213 CO -0.01 -0.47 0.45 0.00 -1.93 0.00 0.00 178.83 176.87 1auk h ARG 214 N -0.73 0.39 -0.29 1.69 3.08 -1.04 0.59 114.38 118.06 1auk h ARG 214 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1auk h ARG 214 Cb 0.70 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1auk h ARG 214 CO -0.15 0.26 0.00 1.04 -1.07 0.00 0.00 179.97 180.05 1auk n GLN 215 N -5.04 1.56 -3.77 0.04 6.02 -0.89 -4.92 117.38 110.38 1auk n GLN 215 Ca 0.25 -0.76 -0.25 0.00 -0.01 0.00 0.00 57.00 56.22 1auk n GLN 215 Cb 0.74 -1.23 0.04 0.00 1.02 0.00 0.00 30.24 30.80 1auk n GLN 215 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1auk n ASP 216 N 0.12 -3.13 -4.07 1.08 2.03 0.20 -4.99 116.55 107.79 1auk n ASP 216 Ca 0.07 -0.77 -0.12 0.00 0.52 0.00 0.00 54.79 54.49 1auk n ASP 216 Cb 0.22 -4.11 -0.11 0.00 -0.72 0.00 0.00 41.12 36.40 1auk n ASP 216 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1auk s ARG 217 N -6.25 0.56 0.39 -0.67 1.70 -0.63 -5.05 118.95 109.00 1auk s ARG 217 Ca 0.32 -0.85 -0.25 0.00 -0.47 0.00 0.00 55.73 54.49 1auk s ARG 217 Cb -0.16 -0.24 -0.09 0.00 -0.57 0.00 0.00 34.95 33.89 1auk s ARG 217 CO 0.81 0.03 1.07 -1.25 -1.08 0.00 0.00 175.30 174.88 1auk s PRO 218 N -1.98 4.17 0.24 3.89 0.04 -1.26 -4.17 135.00 135.94 1auk s PRO 218 Ca -0.07 1.59 0.08 0.00 0.04 0.00 0.00 61.00 62.64 1auk s PRO 218 Cb -0.07 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1auk s PRO 218 CO -0.01 -0.15 0.12 -0.59 0.04 0.00 0.00 177.00 176.42 1auk s PHE 219 N -1.57 2.99 -0.28 0.56 -0.12 -1.26 -1.81 117.98 116.48 1auk s PHE 219 Ca 0.57 -0.13 -0.00 0.00 -0.05 0.00 0.00 56.93 57.31 1auk s PHE 219 Cb -0.24 -1.36 0.09 0.00 -0.63 0.00 0.00 43.02 40.88 1auk s PHE 219 CO 0.31 0.55 0.05 0.12 -0.05 0.00 0.00 175.22 176.20 1auk s PHE 220 N -2.12 2.02 -0.32 3.49 5.36 -0.93 -1.44 117.98 124.05 1auk s PHE 220 Ca 0.32 -1.79 -0.12 0.00 -0.96 0.00 0.00 56.93 54.38 1auk s PHE 220 Cb -0.08 -1.76 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 1auk s PHE 220 CO 0.23 -0.83 0.22 -1.17 -1.46 0.00 0.00 175.22 172.21 1auk s LEU 221 N 1.51 4.34 -0.63 6.12 2.96 -0.14 -1.27 118.68 131.57 1auk s LEU 221 Ca 0.05 -0.27 -0.14 0.00 -0.22 0.00 0.00 54.13 53.56 1auk s LEU 221 Cb -0.18 -2.14 0.16 0.00 0.50 0.00 0.00 46.19 44.54 1auk s LEU 221 CO -0.17 -0.17 0.56 -0.47 -1.32 0.00 0.00 176.35 174.79 1auk s TYR 222 N 1.74 3.46 -0.74 5.38 5.04 0.35 -1.11 117.35 131.47 1auk s TYR 222 Ca 0.07 -1.69 -0.16 0.00 -2.44 0.00 0.00 57.07 52.84 1auk s TYR 222 Cb -0.17 -3.73 0.17 0.00 0.35 0.00 0.00 41.96 38.58 1auk s TYR 222 CO 0.11 -1.00 0.76 -0.47 -1.34 0.00 0.00 175.55 173.61 1auk s TYR 223 N 0.99 3.43 -1.06 4.97 5.04 -0.46 -1.52 117.35 128.74 1auk s TYR 223 Ca 0.09 -1.58 -0.14 0.00 -2.44 0.00 0.00 57.07 53.00 1auk s TYR 223 Cb -0.22 -3.92 0.18 0.00 0.35 0.00 0.00 41.96 38.35 1auk s TYR 223 CO -0.02 -1.13 1.20 0.00 -1.34 0.00 0.00 175.55 174.27 1auk s ALA 224 N 1.27 3.96 0.71 3.97 0.00 -0.15 -1.62 121.76 129.91 1auk s ALA 224 Ca 0.16 -3.27 -0.15 0.00 0.00 0.00 0.00 51.96 48.70 1auk s ALA 224 Cb -0.16 -3.93 0.03 0.00 0.00 0.00 0.00 23.12 19.06 1auk s ALA 224 CO -0.04 -2.67 1.18 0.45 0.00 0.00 0.00 175.76 174.68 1auk s SER 225 N 2.71 4.43 0.16 0.00 0.15 -0.82 -1.21 113.70 119.13 1auk s SER 225 Ca 0.34 2.26 0.20 0.00 0.70 0.00 0.00 55.95 59.45 1auk s SER 225 Cb -0.06 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1auk s SER 225 CO -0.05 -2.10 1.01 0.45 1.20 0.00 0.00 173.24 173.75 1auk h HIS 226 N -0.20 0.00 -3.45 3.44 3.86 -1.96 -3.36 115.15 113.47 1auk h HIS 226 Ca -0.47 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.21 1auk h HIS 226 Cb 1.28 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.77 1auk h HIS 226 CO 0.49 0.27 0.58 -1.01 0.86 0.00 0.00 177.93 179.12 1auk s HIS 227 N -3.15 3.38 -0.47 2.45 3.76 -1.26 -0.82 115.29 119.17 1auk s HIS 227 Ca -0.01 1.36 0.04 0.00 -0.15 0.00 0.00 55.06 56.31 1auk s HIS 227 Cb 0.09 -3.48 0.42 0.00 1.11 0.00 0.00 32.58 30.71 1auk s HIS 227 CO 0.79 -1.40 1.19 0.25 -0.85 0.00 0.00 174.74 174.72 1auk n THR 228 N 2.57 2.48 -2.53 1.30 -2.24 0.14 -1.28 114.28 114.73 1auk n THR 228 Ca 0.05 -4.86 -0.33 0.00 -2.27 0.00 0.00 64.05 56.64 1auk n THR 228 Cb 0.44 -1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 67.37 1auk n THR 228 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1auk s HIS 229 N -3.59 3.18 0.47 4.78 5.04 -0.00 -4.81 115.29 120.36 1auk s HIS 229 Ca 0.48 1.56 -0.22 0.00 -1.54 0.00 0.00 55.06 55.34 1auk s HIS 229 Cb 0.40 -2.94 -0.07 0.00 0.04 0.00 0.00 32.58 30.01 1auk s HIS 229 CO -0.20 -0.56 1.15 -0.47 -2.34 0.00 0.00 174.74 172.32 1auk s TYR 230 N -2.24 2.87 0.39 3.88 5.04 -1.26 -3.78 117.35 122.24 1auk s TYR 230 Ca 0.63 1.54 -0.18 0.00 -2.44 0.00 0.00 57.07 56.63 1auk s TYR 230 Cb -0.13 -3.35 -0.10 0.00 0.35 0.00 0.00 41.96 38.73 1auk s TYR 230 CO 0.22 -1.47 0.85 -1.25 -1.34 0.00 0.00 175.55 172.57 1auk s PRO 231 N -2.78 4.11 0.53 4.97 0.04 -1.26 -4.39 135.00 136.22 1auk s PRO 231 Ca 0.65 0.90 -0.19 0.00 0.04 0.00 0.00 61.00 62.39 1auk s PRO 231 Cb -0.28 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.91 1auk s PRO 231 CO 0.33 0.04 1.09 -0.65 0.04 0.00 0.00 177.00 177.85 1auk s GLN 232 N -3.15 3.52 0.14 4.56 -1.52 -1.25 -5.04 119.66 116.93 1auk s GLN 232 Ca 0.58 1.47 -0.24 0.00 -1.95 0.00 0.00 55.36 55.23 1auk s GLN 232 Cb -0.10 -2.04 0.07 0.00 -0.22 0.00 0.00 33.01 30.72 1auk s GLN 232 CO 0.16 -0.68 0.66 -0.59 -0.25 0.00 0.00 175.29 174.58 1auk s PHE 233 N -1.92 -0.48 0.20 0.91 -0.12 -1.26 -4.79 117.98 110.52 1auk s PHE 233 Ca 0.70 0.27 -0.23 0.00 -0.05 0.00 0.00 56.93 57.61 1auk s PHE 233 Cb -0.20 0.57 0.05 0.00 -0.63 0.00 0.00 43.02 42.80 1auk s PHE 233 CO 0.25 -0.83 0.75 -1.54 -0.05 0.00 0.00 175.22 173.81 1auk s SER 234 N -2.72 -0.32 1.26 1.98 1.04 -1.01 -4.31 113.70 109.61 1auk s SER 234 Ca 0.02 -0.38 -0.20 0.00 0.48 0.00 0.00 55.95 55.87 1auk s SER 234 Cb -0.01 0.63 0.31 0.00 0.10 0.00 0.00 66.02 67.04 1auk s SER 234 CO -0.11 -1.12 1.06 -0.83 0.98 0.00 0.00 173.24 173.23 1auk s GLY 235 N -2.85 1.54 0.37 7.32 0.00 -1.23 -4.35 107.32 108.11 1auk s GLY 235 Ca 0.08 -0.91 0.25 0.00 0.00 0.00 0.00 44.72 44.15 1auk s GLY 235 CO 0.00 0.01 1.70 -1.61 0.00 0.00 0.00 173.10 173.20 1auk h GLN 236 N -2.82 0.00 0.00 2.90 4.15 -1.92 -3.22 115.11 114.21 1auk h GLN 236 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1auk h GLN 236 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1auk h GLN 236 CO 0.33 0.00 0.00 0.77 -1.93 0.00 0.00 178.83 178.00 1auk h SER 237 N 0.00 0.00 0.00 -0.69 0.02 -1.96 -3.27 113.55 107.65 1auk h SER 237 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1auk h SER 237 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1auk h SER 237 CO 0.00 0.00 -0.47 0.49 -1.14 0.00 0.00 176.83 175.71 1auk n PHE 238 N -2.98 0.00 -1.91 3.45 3.72 -1.22 -4.88 117.46 113.64 1auk n PHE 238 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1auk n PHE 238 Cb 0.29 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1auk n PHE 238 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1auk s ALA 239 N -1.89 3.69 -1.98 4.37 0.00 -1.22 -2.25 121.76 122.48 1auk s ALA 239 Ca 0.03 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1auk s ALA 239 Cb 0.07 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1auk s ALA 239 CO 0.37 -1.12 0.00 0.39 0.00 0.00 0.00 175.76 175.40 1auk n GLU 240 N 5.63 -1.58 -0.03 0.00 1.02 -1.26 -4.85 120.64 119.58 1auk n GLU 240 Ca 0.16 1.11 0.00 0.00 -0.02 0.00 0.00 57.16 58.42 1auk n GLU 240 Cb 0.40 -5.64 -0.09 0.00 -0.02 0.00 0.00 31.44 26.10 1auk n GLU 240 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1auk n ARG 241 N -2.69 1.26 -1.47 3.49 1.74 -0.95 -4.97 116.66 113.06 1auk n ARG 241 Ca -0.23 -0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.50 1auk n ARG 241 Cb 0.68 -1.28 0.12 0.00 -1.02 0.00 0.00 32.46 30.96 1auk n ARG 241 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1auk s SER 242 N -3.82 3.85 -0.25 0.55 1.04 -1.26 -4.96 113.70 108.86 1auk s SER 242 Ca -0.05 1.19 0.10 0.00 0.48 0.00 0.00 55.95 57.68 1auk s SER 242 Cb 0.05 -1.86 0.69 0.00 0.10 0.00 0.00 66.02 65.01 1auk s SER 242 CO 0.47 -2.36 1.64 0.61 0.98 0.00 0.00 173.24 174.57 1auk n GLY 243 N -1.93 3.08 0.86 7.32 0.00 -1.26 -4.39 105.19 108.87 1auk n GLY 243 Ca 0.07 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.30 1auk n GLY 243 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1auk n ARG 244 N 0.25 1.08 0.00 1.61 0.63 -1.26 -4.94 116.66 114.03 1auk n ARG 244 Ca 0.30 -2.87 0.00 0.00 -0.92 0.00 0.00 57.85 54.36 1auk n ARG 244 Cb 1.17 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.97 1auk n ARG 244 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1auk n GLY 245 N -0.62 0.42 0.35 5.14 0.00 -1.26 -2.82 105.19 106.40 1auk n GLY 245 Ca 0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 1auk n GLY 245 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1auk h PRO 246 N 0.00 1.15 -0.64 1.61 0.11 -1.97 0.15 132.00 132.42 1auk h PRO 246 Ca 0.00 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1auk h PRO 246 Cb 0.00 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 30.82 1auk h PRO 246 CO 0.00 0.76 0.21 0.35 -0.21 0.00 0.00 178.00 179.11 1auk h PHE 247 N 1.19 1.00 -0.19 0.65 3.04 -1.81 -2.30 116.94 118.51 1auk h PHE 247 Ca 0.37 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 62.14 1auk h PHE 247 Cb -0.01 -0.30 -0.00 0.00 2.56 0.00 0.00 35.95 38.21 1auk h PHE 247 CO -0.01 0.79 -0.25 0.78 -2.02 0.00 0.00 178.31 177.60 1auk h GLY 248 N 1.04 0.55 0.41 2.40 0.00 -0.98 -1.95 103.07 104.54 1auk h GLY 248 Ca 0.21 -0.60 0.09 0.00 0.00 0.00 0.00 47.33 47.03 1auk h GLY 248 CO -0.01 0.54 0.18 -0.55 0.00 0.00 0.00 176.54 176.70 1auk h ASP 249 N 0.16 0.16 -0.19 0.19 3.32 -0.58 0.27 116.42 119.75 1auk h ASP 249 Ca 0.02 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1auk h ASP 249 Cb 0.82 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1auk h ASP 249 CO 0.06 0.11 -0.03 -1.28 -1.72 0.00 0.00 179.24 176.38 1auk h SER 250 N 0.35 0.45 0.23 6.45 0.87 -1.43 -0.84 113.55 119.63 1auk h SER 250 Ca 0.28 -0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.53 1auk h SER 250 Cb 0.34 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1auk h SER 250 CO -0.30 0.54 -0.86 0.25 -0.53 0.00 0.00 176.83 175.93 1auk h LEU 251 N 0.46 0.60 -1.08 2.23 5.85 -0.66 -2.70 115.31 120.01 1auk h LEU 251 Ca 0.10 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1auk h LEU 251 Cb 0.35 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1auk h LEU 251 CO 0.01 1.22 0.16 -0.03 -0.34 0.00 0.00 178.44 179.47 1auk h MET 252 N 0.30 0.82 -0.37 1.25 4.05 0.13 -1.20 114.93 119.90 1auk h MET 252 Ca -0.06 -0.15 -0.07 0.00 -0.28 0.00 0.00 59.70 59.14 1auk h MET 252 Cb 1.48 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 1auk h MET 252 CO 0.15 0.72 -0.03 1.49 0.23 0.00 0.00 176.91 179.47 1auk h GLU 253 N 0.80 0.68 -0.90 0.39 4.81 -1.09 0.12 114.58 119.39 1auk h GLU 253 Ca 0.18 -0.23 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1auk h GLU 253 Cb 0.24 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.51 1auk h GLU 253 CO -0.01 0.81 0.57 1.25 -0.73 0.00 0.00 179.01 180.89 1auk h LEU 254 N 0.50 0.90 -0.47 1.64 6.46 -1.16 0.67 115.31 123.85 1auk h LEU 254 Ca 0.10 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.81 1auk h LEU 254 Cb 0.52 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1auk h LEU 254 CO 0.03 0.58 0.04 -0.78 -0.62 0.00 0.00 178.44 177.69 1auk h ASP 255 N 1.04 0.78 -0.03 1.25 3.58 -0.88 -2.22 116.42 119.94 1auk h ASP 255 Ca 0.39 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.48 1auk h ASP 255 Cb 0.15 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1auk h ASP 255 CO -0.17 0.87 -0.20 0.00 -2.88 0.00 0.00 179.24 176.87 1auk h ALA 256 N 0.94 1.24 -0.96 -0.78 0.00 -0.27 -2.34 119.26 117.08 1auk h ALA 256 Ca 0.14 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1auk h ALA 256 Cb 0.44 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1auk h ALA 256 CO 0.02 0.50 0.63 0.00 0.00 0.00 0.00 179.25 180.39 1auk h ALA 257 N 1.43 1.25 -0.58 0.00 0.00 -0.51 0.97 119.26 121.81 1auk h ALA 257 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1auk h ALA 257 Cb 0.56 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1auk h ALA 257 CO 0.04 0.55 0.18 0.28 0.00 0.00 0.00 179.25 180.30 1auk h VAL 258 N 1.25 1.24 -0.92 0.00 2.07 -1.06 -1.31 116.25 117.52 1auk h VAL 258 Ca 0.37 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1auk h VAL 258 Cb -0.07 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1auk h VAL 258 CO -0.10 0.31 0.55 1.23 0.02 0.00 0.00 177.57 179.58 1auk h GLY 259 N 0.82 1.33 0.97 2.17 0.00 -0.73 -1.07 103.07 106.55 1auk h GLY 259 Ca 0.19 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1auk h GLY 259 CO -0.01 0.53 0.19 -0.84 0.00 0.00 0.00 176.54 176.42 1auk h THR 260 N 1.26 1.21 -0.41 4.70 2.02 -0.55 -1.22 112.91 119.92 1auk h THR 260 Ca 0.33 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1auk h THR 260 Cb -0.06 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1auk h THR 260 CO -0.06 0.25 0.04 -0.07 0.37 0.00 0.00 175.52 176.05 1auk h LEU 261 N 0.65 0.60 -0.53 2.58 4.07 -0.92 -1.15 115.31 120.61 1auk h LEU 261 Ca 0.16 -0.11 -0.16 0.00 0.08 0.00 0.00 57.88 57.85 1auk h LEU 261 Cb 0.21 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1auk h LEU 261 CO -0.01 0.64 -0.49 0.24 -1.08 0.00 0.00 178.44 177.74 1auk h MET 262 N 0.61 0.62 -0.15 1.13 2.86 -0.87 -1.33 114.93 117.80 1auk h MET 262 Ca 0.13 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1auk h MET 262 Cb 0.33 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1auk h MET 262 CO 0.01 0.97 0.04 1.15 1.06 0.00 0.00 176.91 180.14 1auk h THR 263 N 0.49 1.19 -0.70 2.22 2.02 -0.78 -0.07 112.91 117.28 1auk h THR 263 Ca 0.02 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.68 1auk h THR 263 Cb 1.03 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 1auk h THR 263 CO 0.10 0.18 0.46 0.00 0.37 0.00 0.00 175.52 176.63 1auk h ALA 264 N 0.85 1.82 -0.10 6.16 0.00 -1.13 0.31 119.26 127.16 1auk h ALA 264 Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1auk h ALA 264 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1auk h ALA 264 CO -0.00 0.05 -0.61 0.82 0.00 0.00 0.00 179.25 179.51 1auk h ILE 265 N 0.63 1.36 0.00 0.00 2.04 -0.84 -3.04 117.51 117.66 1auk h ILE 265 Ca 0.31 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 64.23 1auk h ILE 265 Cb 0.40 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1auk h ILE 265 CO -0.10 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.24 1auk n GLY 266 N 0.30 -2.18 0.13 5.37 0.00 0.76 -1.69 105.19 107.88 1auk n GLY 266 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1auk n GLY 266 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1auk n ASP 267 N -1.22 0.03 -0.52 1.61 8.00 0.58 0.13 116.55 125.16 1auk n ASP 267 Ca 0.00 0.65 0.04 0.00 0.71 0.00 0.00 54.79 56.19 1auk n ASP 267 Cb 0.00 -0.27 0.12 0.00 -0.02 0.00 0.00 41.12 40.95 1auk n ASP 267 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1auk n LEU 268 N -4.17 1.51 -3.44 0.64 4.77 -1.15 -4.94 117.00 110.22 1auk n LEU 268 Ca 0.11 -0.75 -0.24 0.00 -0.03 0.00 0.00 56.01 55.10 1auk n LEU 268 Cb 0.38 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1auk n LEU 268 CO -0.02 0.35 0.15 0.61 -1.33 0.00 0.00 177.39 177.16 1auk n GLY 269 N 0.86 -0.54 0.45 -0.72 0.00 0.36 -4.92 105.19 100.69 1auk n GLY 269 Ca 0.09 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.36 1auk n GLY 269 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1auk n LEU 270 N -4.66 2.64 -0.15 0.99 4.77 -0.68 -4.79 117.00 115.12 1auk n LEU 270 Ca -0.03 -1.98 -0.05 0.00 -0.03 0.00 0.00 56.01 53.92 1auk n LEU 270 Cb 0.58 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1auk n LEU 270 CO 0.60 0.66 0.68 -0.07 -1.33 0.00 0.00 177.39 177.93 1auk h LEU 271 N 1.44 -0.90 0.00 2.23 3.38 -1.87 0.24 115.31 119.84 1auk h LEU 271 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1auk h LEU 271 Cb 0.66 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1auk h LEU 271 CO 0.00 -0.28 0.00 -0.62 0.09 0.00 0.00 178.44 177.63 1auk n GLU 272 N -5.41 0.66 -0.06 1.13 1.02 -1.26 -3.05 120.64 113.67 1auk n GLU 272 Ca 0.03 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.24 1auk n GLU 272 Cb 0.33 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.33 1auk n GLU 272 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1auk n GLU 273 N -1.13 1.36 -4.52 3.49 1.02 -0.00 -4.84 120.64 116.01 1auk n GLU 273 Ca 0.17 -1.46 -0.33 0.00 -0.02 0.00 0.00 57.16 55.52 1auk n GLU 273 Cb 0.15 -1.22 -0.16 0.00 -0.02 0.00 0.00 31.44 30.19 1auk n GLU 273 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1auk s THR 274 N -0.93 2.28 -0.37 2.62 2.01 -0.74 -0.49 115.64 120.02 1auk s THR 274 Ca 0.16 -0.90 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 1auk s THR 274 Cb 0.10 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.68 1auk s THR 274 CO 0.14 0.53 0.84 -0.22 -0.69 0.00 0.00 174.62 175.22 1auk s LEU 275 N 0.91 4.08 -0.23 4.42 2.96 0.53 -4.46 118.68 126.89 1auk s LEU 275 Ca -0.04 0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 54.24 1auk s LEU 275 Cb -0.15 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 1auk s LEU 275 CO -0.03 -0.78 0.01 -0.69 -1.32 0.00 0.00 176.35 173.54 1auk s VAL 276 N 3.25 3.88 -0.11 1.68 1.01 0.52 -1.12 120.40 129.51 1auk s VAL 276 Ca 0.34 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1auk s VAL 276 Cb -0.13 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1auk s VAL 276 CO 0.18 0.39 -0.14 -0.63 0.00 0.00 0.00 175.10 174.89 1auk s ILE 277 N 1.47 2.99 -0.11 2.22 1.01 0.40 -0.96 121.20 128.21 1auk s ILE 277 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1auk s ILE 277 Cb -0.15 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1auk s ILE 277 CO 0.01 0.54 -0.20 0.12 0.00 0.00 0.00 174.94 175.40 1auk s PHE 278 N 0.11 2.37 0.00 3.97 5.36 -0.43 -0.41 117.98 128.94 1auk s PHE 278 Ca -0.06 -1.09 0.00 0.00 -0.96 0.00 0.00 56.93 54.82 1auk s PHE 278 Cb -0.15 -1.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 1auk s PHE 278 CO 0.05 -0.49 0.00 2.41 -1.46 0.00 0.00 175.22 175.73 1auk n THR 279 N 3.90 0.00 -3.84 0.12 -1.04 -0.73 -1.27 114.28 111.42 1auk n THR 279 Ca -0.20 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.72 1auk n THR 279 Cb 0.52 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.96 1auk n THR 279 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1auk s ALA 280 N -1.69 -0.29 0.09 2.41 0.00 -1.26 -0.96 121.76 120.06 1auk s ALA 280 Ca 0.00 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1auk s ALA 280 Cb 0.00 0.46 -0.22 0.00 0.00 0.00 0.00 23.12 23.36 1auk s ALA 280 CO 0.00 -0.49 1.15 0.38 0.00 0.00 0.00 175.76 176.80 1auk h ASP 281 N 2.85 0.01 -5.26 0.00 2.03 -1.74 -3.46 116.42 110.86 1auk h ASP 281 Ca -0.34 -0.01 0.22 0.00 -0.73 0.00 0.00 57.03 56.17 1auk h ASP 281 Cb 1.20 -0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.58 1auk h ASP 281 CO 0.54 1.01 0.63 0.54 -1.03 0.00 0.00 179.24 180.93 1auk s ASN 282 N -6.60 -0.16 1.15 4.15 4.22 -1.26 -4.66 114.94 111.78 1auk s ASN 282 Ca -0.00 -0.22 -0.11 0.00 -2.14 0.00 0.00 52.86 50.39 1auk s ASN 282 Cb 0.10 0.34 0.16 0.00 1.28 0.00 0.00 41.25 43.12 1auk s ASN 282 CO 0.82 -0.60 0.50 0.61 -2.04 0.00 0.00 177.10 176.39 1auk n GLY 283 N -0.41 -2.93 3.81 0.45 0.00 -0.45 -3.05 105.19 102.61 1auk n GLY 283 Ca -0.07 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1auk n GLY 283 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1auk s PRO 284 N -4.15 4.19 -0.79 1.61 0.04 -1.26 -3.85 135.00 130.78 1auk s PRO 284 Ca 0.34 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 1auk s PRO 284 Cb -0.04 -2.29 0.16 0.00 0.04 0.00 0.00 34.50 32.37 1auk s PRO 284 CO 0.27 -0.08 0.86 -2.00 0.04 0.00 0.00 177.00 176.09 1auk s GLU 285 N -2.96 3.44 0.26 4.56 2.12 -1.26 -0.94 118.70 123.91 1auk s GLU 285 Ca 0.61 -1.91 0.25 0.00 0.36 0.00 0.00 54.97 54.28 1auk s GLU 285 Cb -0.13 -4.54 0.93 0.00 0.26 0.00 0.00 34.13 30.65 1auk s GLU 285 CO 0.17 -1.52 1.75 1.79 -0.54 0.00 0.00 175.26 176.91 1auk h THR 286 N 5.46 0.00 -1.13 -1.70 1.35 -1.64 -2.41 112.91 112.85 1auk h THR 286 Ca 0.01 -0.34 0.32 0.00 -0.55 0.00 0.00 66.41 65.84 1auk h THR 286 Cb 1.05 1.19 -0.06 0.00 -1.73 0.00 0.00 68.15 68.59 1auk h THR 286 CO 0.97 0.00 0.78 -0.03 -0.25 0.00 0.00 175.52 176.99 1auk h MET 287 N 0.00 0.13 0.00 4.72 -1.53 -1.31 0.70 114.93 117.64 1auk h MET 287 Ca 0.00 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1auk h MET 287 Cb 0.51 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.53 1auk h MET 287 CO 0.00 0.08 0.00 0.54 0.14 0.00 0.00 176.91 177.67 1auk n ARG 288 N -4.34 0.84 0.00 0.39 5.12 -0.91 -4.96 116.66 112.80 1auk n ARG 288 Ca 0.25 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 1auk n ARG 288 Cb 1.12 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 1auk n ARG 288 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1auk n MET 289 N -0.91 0.00 0.00 5.56 2.81 0.24 -1.21 117.12 123.62 1auk n MET 289 Ca 0.17 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.12 1auk n MET 289 Cb 0.08 0.00 0.36 0.00 -0.71 0.00 0.00 33.22 32.95 1auk n MET 289 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1auk n SER 290 N 3.68 0.00 -1.02 7.83 3.41 -1.26 -1.36 113.62 124.90 1auk n SER 290 Ca 0.00 -0.92 0.09 0.00 -0.26 0.00 0.00 58.87 57.78 1auk n SER 290 Cb 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.18 1auk n SER 290 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1auk n ARG 291 N -0.79 2.59 -4.41 4.33 1.74 -0.35 -4.60 116.66 115.17 1auk n ARG 291 Ca 0.09 -2.29 -0.27 0.00 -0.77 0.00 0.00 57.85 54.61 1auk n ARG 291 Cb 0.04 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 29.96 1auk n ARG 291 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1auk s GLY 292 N -1.09 2.50 0.00 -0.13 0.00 -0.47 -4.67 107.32 103.46 1auk s GLY 292 Ca 0.36 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1auk s GLY 292 CO 0.26 -2.03 0.00 0.61 0.00 0.00 0.00 173.10 171.94 1auk n GLY 293 N -1.15 -1.98 2.98 0.20 0.00 -1.26 -4.91 105.19 99.08 1auk n GLY 293 Ca -0.05 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 1auk n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auk n SER 295 N 4.63 3.03 0.00 0.00 3.41 -1.26 -1.50 113.62 121.93 1auk n SER 295 Ca -0.18 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 1auk n SER 295 Cb 0.51 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1auk n SER 295 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1auk n GLY 296 N 0.95 4.02 0.14 5.00 0.00 -1.26 -1.90 105.19 112.13 1auk n GLY 296 Ca 0.16 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1auk n GLY 296 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1auk h LEU 297 N 0.00 0.00-10.33 0.99 -0.00 -1.96 -3.46 115.31 100.55 1auk h LEU 297 Ca 0.00 -0.01 -0.51 0.00 -0.00 0.00 0.00 57.88 57.36 1auk h LEU 297 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 40.66 40.75 1auk h LEU 297 CO 0.00 0.01 0.37 -0.76 -0.00 0.00 0.00 178.44 178.06 1auk s LEU 298 N -5.00 3.16 -0.04 0.17 1.43 -0.80 -4.38 118.68 113.21 1auk s LEU 298 Ca 0.09 1.64 -0.15 0.00 -1.03 0.00 0.00 54.13 54.67 1auk s LEU 298 Cb 0.10 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 1auk s LEU 298 CO 0.63 -1.43 0.41 -0.60 0.23 0.00 0.00 176.35 175.58 1auk s ARG 299 N -4.97 4.05 1.92 1.70 3.52 -1.26 -4.70 118.95 119.21 1auk s ARG 299 Ca 0.58 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 1auk s ARG 299 Cb -0.14 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1auk s ARG 299 CO 0.54 0.52 0.00 0.00 -0.81 0.00 0.00 175.30 175.55 1auk n GLY 301 N 0.00 4.20 3.58 0.00 0.00 -1.26 -4.11 105.19 107.60 1auk n GLY 301 Ca 0.00 -0.55 -0.47 0.00 0.00 0.00 0.00 46.02 45.01 1auk n GLY 301 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1auk n LYS 302 N 0.00 1.24 0.00 1.61 4.81 -0.12 -2.27 118.16 123.44 1auk n LYS 302 Ca 0.00 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1auk n LYS 302 Cb 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1auk n LYS 302 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1auk n GLY 303 N 1.64 0.82 3.57 3.14 0.00 -0.77 -3.68 105.19 109.92 1auk n GLY 303 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1auk n GLY 303 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1auk s THR 304 N -2.22 2.32 -1.44 2.61 -4.23 -0.96 -4.62 115.64 107.11 1auk s THR 304 Ca 0.00 -2.13 0.17 0.00 -1.18 0.00 0.00 61.69 58.54 1auk s THR 304 Cb 0.00 -2.71 0.60 0.00 1.34 0.00 0.00 72.50 71.73 1auk s THR 304 CO 0.00 -0.19 1.49 0.35 -0.54 0.00 0.00 174.62 175.73 1auk n THR 305 N -0.85 1.35 -1.25 3.99 -2.24 -1.26 -4.38 114.28 109.63 1auk n THR 305 Ca -0.05 -0.95 -0.30 0.00 -2.27 0.00 0.00 64.05 60.48 1auk n THR 305 Cb 0.63 0.16 0.12 0.00 -2.10 0.00 0.00 70.33 69.15 1auk n THR 305 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1auk s TYR 306 N -1.62 2.42 0.37 4.78 2.02 -1.26 -4.85 117.35 119.21 1auk s TYR 306 Ca 0.43 1.29 0.04 0.00 -0.37 0.00 0.00 57.07 58.46 1auk s TYR 306 Cb 0.26 -3.14 0.71 0.00 -0.40 0.00 0.00 41.96 39.40 1auk s TYR 306 CO 0.23 -2.23 2.02 0.93 -1.57 0.00 0.00 175.55 174.94 1auk h GLU 307 N -1.43 0.71 0.00 -0.62 4.39 -1.91 -1.94 114.58 113.78 1auk h GLU 307 Ca -0.48 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1auk h GLU 307 Cb 1.27 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1auk h GLU 307 CO 0.55 0.49 0.00 0.78 -1.16 0.00 0.00 179.01 179.66 1auk h GLY 308 N 0.75 0.00 0.87 -3.84 0.00 -1.46 -0.84 103.07 98.55 1auk h GLY 308 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.20 1auk h GLY 308 CO -0.04 0.00 -1.57 -1.33 0.00 0.00 0.00 176.54 173.60 1auk h GLY 309 N 1.41 0.44 -0.22 4.60 0.00 -1.38 -3.36 103.07 104.55 1auk h GLY 309 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 46.22 1auk h GLY 309 CO 0.00 0.97 -0.53 3.33 0.00 0.00 0.00 176.54 180.32 1auk n VAL 310 N -3.73 0.00 -3.89 4.60 0.24 -1.11 -1.34 118.33 113.11 1auk n VAL 310 Ca -0.23 -0.24 -0.36 0.00 -2.04 0.00 0.00 64.34 61.48 1auk n VAL 310 Cb 1.02 1.06 -0.11 0.00 -1.47 0.00 0.00 33.84 34.34 1auk n VAL 310 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1auk s ARG 311 N -2.11 3.85 0.38 7.34 3.52 -0.34 -1.25 118.95 130.34 1auk s ARG 311 Ca 0.07 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 1auk s ARG 311 Cb 0.11 -3.30 -0.07 0.00 -1.56 0.00 0.00 34.95 30.13 1auk s ARG 311 CO 0.49 0.05 -0.01 -1.21 -0.81 0.00 0.00 175.30 173.81 1auk s GLU 312 N 0.98 1.88 0.63 5.12 0.41 -0.58 -4.26 118.70 122.87 1auk s GLU 312 Ca 0.04 -2.04 -0.17 0.00 -0.41 0.00 0.00 54.97 52.39 1auk s GLU 312 Cb -0.14 -1.57 -0.02 0.00 -1.78 0.00 0.00 34.13 30.62 1auk s GLU 312 CO 0.03 -0.01 1.18 -1.25 -0.49 0.00 0.00 175.26 174.72 1auk s PRO 313 N -3.70 2.81 -0.29 0.39 0.05 -1.26 -4.40 135.00 128.60 1auk s PRO 313 Ca 0.34 1.72 -0.15 0.00 0.05 0.00 0.00 61.00 62.97 1auk s PRO 313 Cb 0.08 -1.92 0.11 0.00 0.05 0.00 0.00 34.50 32.82 1auk s PRO 313 CO 0.17 -1.31 0.80 0.00 0.05 0.00 0.00 177.00 176.71 1auk s ALA 314 N -1.81 -2.10 0.01 8.56 0.00 -1.25 -4.19 121.76 120.98 1auk s ALA 314 Ca 0.75 2.32 0.03 0.00 0.00 0.00 0.00 51.96 55.05 1auk s ALA 314 Cb -0.28 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1auk s ALA 314 CO 0.36 -0.50 -0.09 -0.51 0.00 0.00 0.00 175.76 175.03 1auk s LEU 315 N 1.79 2.08 -0.05 0.00 1.43 -0.39 -1.70 118.68 121.85 1auk s LEU 315 Ca -0.09 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1auk s LEU 315 Cb -0.06 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.78 1auk s LEU 315 CO -0.18 0.03 -0.09 0.00 0.23 0.00 0.00 176.35 176.34 1auk s ALA 316 N -0.49 0.97 -0.06 4.21 0.00 -0.13 -1.32 121.76 124.94 1auk s ALA 316 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1auk s ALA 316 Cb -0.05 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.66 1auk s ALA 316 CO 0.00 0.09 0.11 0.12 0.00 0.00 0.00 175.76 176.08 1auk s PHE 317 N 0.60 -0.11 -0.43 0.00 2.19 -0.14 -0.66 117.98 119.43 1auk s PHE 317 Ca -0.11 0.40 0.03 0.00 0.33 0.00 0.00 56.93 57.58 1auk s PHE 317 Cb -0.13 -0.17 0.19 0.00 -1.31 0.00 0.00 43.02 41.60 1auk s PHE 317 CO 0.02 -0.16 0.81 -0.46 1.83 0.00 0.00 175.22 177.25 1auk s TRP 318 N 1.37 -1.26 0.13 10.12 -0.00 -1.26 -0.36 118.94 127.68 1auk s TRP 318 Ca -0.07 -0.18 -0.34 0.00 -0.00 0.00 0.00 56.10 55.52 1auk s TRP 318 Cb -0.12 0.24 -0.17 0.00 -0.00 0.00 0.00 33.47 33.42 1auk s TRP 318 CO -0.05 -0.94 1.01 -2.30 -0.00 0.00 0.00 176.95 174.68 1auk n PRO 319 N 3.39 0.64 -1.13 5.86 -0.02 -1.26 -1.42 135.00 141.05 1auk n PRO 319 Ca 0.13 0.23 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 1auk n PRO 319 Cb 0.59 -1.63 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 1auk n PRO 319 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1auk n GLY 320 N 1.88 0.64 0.32 -1.23 0.00 -1.26 -4.62 105.19 100.93 1auk n GLY 320 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1auk n GLY 320 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1auk n HIS 321 N -2.56 0.00 -3.86 1.61 8.25 -0.51 -5.03 115.22 113.12 1auk n HIS 321 Ca -0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.06 1auk n HIS 321 Cb 0.30 0.07 -0.13 0.00 1.12 0.00 0.00 29.99 31.35 1auk n HIS 321 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1auk s ILE 322 N -1.41 3.36 0.30 1.59 1.01 -0.73 -4.54 121.20 120.79 1auk s ILE 322 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 60.65 59.41 1auk s ILE 322 Cb 0.00 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.61 1auk s ILE 322 CO 0.00 0.08 1.01 0.00 0.00 0.00 0.00 174.94 176.03 1auk s ALA 323 N 1.38 3.27 0.24 9.38 0.00 -1.26 -4.66 121.76 130.11 1auk s ALA 323 Ca 0.00 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 1auk s ALA 323 Cb -0.17 -3.25 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 1auk s ALA 323 CO -0.01 0.01 1.38 -2.30 0.00 0.00 0.00 175.76 174.85 1auk n PRO 324 N 0.85 1.98 -3.21 0.00 -0.02 -1.26 -4.34 135.00 129.01 1auk n PRO 324 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1auk n PRO 324 Cb 0.48 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1auk n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1auk n GLY 325 N 2.06 -1.23 2.91 -1.23 0.00 0.06 -4.93 105.19 102.83 1auk n GLY 325 Ca 0.11 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1auk n GLY 325 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1auk s VAL 326 N -3.00 0.71 0.17 1.61 1.01 -1.26 -1.87 120.40 117.77 1auk s VAL 326 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1auk s VAL 326 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1auk s VAL 326 CO 0.00 0.28 -0.10 -0.89 0.00 0.00 0.00 175.10 174.39 1auk s THR 327 N 1.09 3.19 -0.31 3.92 2.01 -0.60 -4.95 115.64 119.99 1auk s THR 327 Ca -0.08 -1.63 0.03 0.00 0.31 0.00 0.00 61.69 60.32 1auk s THR 327 Cb -0.14 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 69.81 1auk s THR 327 CO -0.01 -0.09 0.52 1.41 -0.69 0.00 0.00 174.62 175.76 1auk n HIS 328 N 0.10 0.00 -1.71 4.92 8.25 -1.26 -1.63 115.22 123.89 1auk n HIS 328 Ca -0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.00 1auk n HIS 328 Cb 0.55 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.72 1auk n HIS 328 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1auk s GLU 329 N -0.37 2.56 0.13 -0.41 2.02 -1.26 -4.62 118.70 116.75 1auk s GLU 329 Ca 0.03 1.77 -0.30 0.00 0.02 0.00 0.00 54.97 56.48 1auk s GLU 329 Cb 0.02 -1.88 -0.07 0.00 0.10 0.00 0.00 34.13 32.30 1auk s GLU 329 CO 0.04 -1.52 1.22 -0.51 0.02 0.00 0.00 175.26 174.52 1auk s LEU 330 N -4.65 4.41 -0.03 1.80 1.43 -1.26 -4.56 118.68 115.82 1auk s LEU 330 Ca 0.75 2.16 -0.18 0.00 -1.03 0.00 0.00 54.13 55.83 1auk s LEU 330 Cb -0.29 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.37 1auk s LEU 330 CO 0.40 -0.44 0.38 0.00 0.23 0.00 0.00 176.35 176.92 1auk s ALA 331 N 0.50 -0.97 0.09 4.21 0.00 -1.19 -4.58 121.76 119.81 1auk s ALA 331 Ca 0.56 0.54 0.02 0.00 0.00 0.00 0.00 51.96 53.08 1auk s ALA 331 Cb -0.32 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1auk s ALA 331 CO 0.33 -0.28 -0.07 0.45 0.00 0.00 0.00 175.76 176.19 1auk s SER 332 N -1.24 1.10 0.48 0.00 0.15 -1.26 -1.51 113.70 111.43 1auk s SER 332 Ca -0.13 -0.92 0.17 0.00 0.70 0.00 0.00 55.95 55.78 1auk s SER 332 Cb -0.04 0.08 1.18 0.00 -1.71 0.00 0.00 66.02 65.53 1auk s SER 332 CO 0.05 -0.41 2.06 0.77 1.20 0.00 0.00 173.24 176.91 1auk h SER 333 N 3.26 0.00 -0.17 5.45 4.64 -1.62 0.23 113.55 125.35 1auk h SER 333 Ca -0.35 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1auk h SER 333 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1auk h SER 333 CO 0.60 0.12 0.23 -0.07 -0.87 0.00 0.00 176.83 176.83 1auk h LEU 334 N 0.00 0.00 0.00 5.97 4.07 -1.84 -1.63 115.31 121.89 1auk h LEU 334 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1auk h LEU 334 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1auk h LEU 334 CO 0.02 0.00 -0.48 0.47 -1.08 0.00 0.00 178.44 177.37 1auk n ASP 335 N -3.62 0.47 -0.26 -0.43 8.00 0.07 -3.88 116.55 116.91 1auk n ASP 335 Ca 0.01 -0.19 -0.06 0.00 0.71 0.00 0.00 54.79 55.27 1auk n ASP 335 Cb 0.34 0.20 0.05 0.00 -0.02 0.00 0.00 41.12 41.70 1auk n ASP 335 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1auk h LEU 336 N 0.00 0.88 0.77 0.64 4.07 -1.39 -2.17 115.31 118.11 1auk h LEU 336 Ca 0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 1auk h LEU 336 Cb 0.51 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1auk h LEU 336 CO 0.00 0.72 -0.41 0.25 -1.08 0.00 0.00 178.44 177.92 1auk h LEU 337 N 0.97 -0.99 -1.59 1.67 5.85 -1.78 -0.55 115.31 118.89 1auk h LEU 337 Ca 0.25 0.04 0.12 0.00 0.84 0.00 0.00 57.88 59.13 1auk h LEU 337 Cb 0.03 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1auk h LEU 337 CO -0.04 -0.66 0.45 -0.65 -0.34 0.00 0.00 178.44 177.20 1auk h PRO 338 N -1.08 0.43 -0.44 5.25 0.11 -1.83 0.10 132.00 134.54 1auk h PRO 338 Ca -0.10 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.84 1auk h PRO 338 Cb 0.84 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1auk h PRO 338 CO 0.15 0.29 -0.26 1.15 -0.21 0.00 0.00 178.00 179.11 1auk h THR 339 N 0.44 1.27 0.09 -1.15 2.02 -1.15 -2.49 112.91 111.95 1auk h THR 339 Ca 0.32 -1.42 -0.29 0.00 0.77 0.00 0.00 66.41 65.79 1auk h THR 339 Cb 0.64 1.21 0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1auk h THR 339 CO -0.10 0.48 -1.20 -0.07 0.37 0.00 0.00 175.52 175.00 1auk h LEU 340 N 0.79 0.89 0.13 2.58 3.38 0.24 -2.56 115.31 120.75 1auk h LEU 340 Ca 0.09 -0.79 0.01 0.00 0.09 0.00 0.00 57.88 57.28 1auk h LEU 340 Cb 0.83 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1auk h LEU 340 CO 0.07 1.59 -0.37 0.00 0.09 0.00 0.00 178.44 179.82 1auk h ALA 341 N 0.32 -0.90 -0.80 1.53 0.00 -0.89 -1.44 119.26 117.09 1auk h ALA 341 Ca -0.18 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 54.83 1auk h ALA 341 Cb 1.87 0.74 -0.14 0.00 0.00 0.00 0.00 17.79 20.26 1auk h ALA 341 CO 0.23 -0.98 -0.05 0.00 0.00 0.00 0.00 179.25 178.46 1auk h ALA 342 N -0.89 0.77 -0.02 0.00 0.00 -1.53 0.24 119.26 117.82 1auk h ALA 342 Ca -0.01 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1auk h ALA 342 Cb 0.55 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1auk h ALA 342 CO -0.18 -0.44 -0.06 -0.07 0.00 0.00 0.00 179.25 178.50 1auk h LEU 343 N 0.06 0.02 -1.81 0.00 4.07 -0.99 -2.75 115.31 113.92 1auk h LEU 343 Ca 0.43 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1auk h LEU 343 Cb 0.75 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1auk h LEU 343 CO -0.74 0.09 -0.06 0.00 -1.08 0.00 0.00 178.44 176.65 1auk n ALA 344 N -2.52 2.60 -2.52 1.53 0.00 0.65 -4.54 120.51 115.70 1auk n ALA 344 Ca -0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 53.44 52.59 1auk n ALA 344 Cb 0.15 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 18.80 1auk n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1auk n GLY 345 N 1.36 -0.16 3.86 0.00 0.00 -0.11 -4.83 105.19 105.31 1auk n GLY 345 Ca 0.13 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1auk n GLY 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auk s ALA 346 N -2.83 3.82 0.46 4.61 0.00 -0.99 -5.02 121.76 121.81 1auk s ALA 346 Ca 0.10 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 1auk s ALA 346 Cb -0.05 -1.87 -0.10 0.00 0.00 0.00 0.00 23.12 21.11 1auk s ALA 346 CO 0.13 0.65 1.00 -1.25 0.00 0.00 0.00 175.76 176.29 1auk s PRO 347 N -1.29 3.99 0.33 0.00 0.04 -1.26 -4.28 135.00 132.53 1auk s PRO 347 Ca 0.18 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.23 1auk s PRO 347 Cb -0.12 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1auk s PRO 347 CO 0.08 -0.25 0.91 -0.51 0.04 0.00 0.00 177.00 177.26 1auk s LEU 348 N -3.38 4.24 0.93 -3.56 1.43 -1.26 -5.00 118.68 112.08 1auk s LEU 348 Ca 0.65 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 55.34 1auk s LEU 348 Cb -0.13 -4.08 0.04 0.00 0.03 0.00 0.00 46.19 42.06 1auk s LEU 348 CO 0.17 -0.12 0.49 -0.81 0.23 0.00 0.00 176.35 176.31 1auk n PRO 349 N 0.28 -0.27 -2.13 1.29 -0.04 -1.26 -4.86 135.00 128.01 1auk n PRO 349 Ca 0.03 -0.03 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1auk n PRO 349 Cb 0.51 -1.91 -0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1auk n PRO 349 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1auk n ASN 350 N -1.55 7.63 -4.23 3.54 5.15 -1.26 -4.92 115.26 119.60 1auk n ASN 350 Ca 0.07 -3.36 -0.13 0.00 -0.60 0.00 0.00 54.58 50.56 1auk n ASN 350 Cb 0.53 -1.27 -0.10 0.00 -0.53 0.00 0.00 39.78 38.41 1auk n ASN 350 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1auk s VAL 351 N -2.52 0.68 -0.02 3.44 -7.23 -1.26 -5.11 120.40 108.38 1auk s VAL 351 Ca 0.50 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 1auk s VAL 351 Cb 0.23 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1auk s VAL 351 CO -0.14 -0.51 1.33 0.42 -0.31 0.00 0.00 175.10 175.89 1auk s THR 352 N -3.65 3.92 0.13 5.32 -4.23 -1.26 -5.00 115.64 110.87 1auk s THR 352 Ca 0.23 1.27 0.05 0.00 -1.18 0.00 0.00 61.69 62.06 1auk s THR 352 Cb 0.06 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 1auk s THR 352 CO 0.03 -0.01 0.06 -0.76 -0.54 0.00 0.00 174.62 173.41 1auk s LEU 353 N 2.38 3.61 -0.09 4.79 1.43 -1.26 -4.90 118.68 124.64 1auk s LEU 353 Ca 0.61 -0.18 0.12 0.00 -1.03 0.00 0.00 54.13 53.65 1auk s LEU 353 Cb -0.29 -2.27 0.28 0.00 0.03 0.00 0.00 46.19 43.94 1auk s LEU 353 CO 0.25 0.12 1.20 0.47 0.23 0.00 0.00 176.35 178.61 1auk n ASP 354 N 0.07 2.76 -4.22 2.29 8.00 -0.73 -5.03 116.55 119.69 1auk n ASP 354 Ca -0.09 -2.59 -0.25 0.00 0.71 0.00 0.00 54.79 52.57 1auk n ASP 354 Cb 0.54 -0.31 -0.09 0.00 -0.02 0.00 0.00 41.12 41.23 1auk n ASP 354 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1auk s GLY 355 N -1.82 2.47 0.19 0.44 0.00 -1.25 -4.86 107.32 102.50 1auk s GLY 355 Ca 0.25 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1auk s GLY 355 CO 0.06 -1.83 0.06 -1.36 0.00 0.00 0.00 173.10 170.03 1auk s PHE 356 N -3.24 1.23 -0.22 1.90 0.08 -1.26 -4.92 117.98 111.55 1auk s PHE 356 Ca 0.26 -1.16 -0.28 0.00 0.12 0.00 0.00 56.93 55.88 1auk s PHE 356 Cb 0.04 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 1auk s PHE 356 CO 0.14 -0.36 0.96 0.34 -0.10 0.00 0.00 175.22 176.20 1auk s ASP 357 N -3.19 7.02 -0.14 1.36 2.15 -1.26 -4.20 116.67 118.42 1auk s ASP 357 Ca 0.30 1.28 0.15 0.00 0.43 0.00 0.00 52.55 54.71 1auk s ASP 357 Cb 0.07 -2.51 0.69 0.00 -0.30 0.00 0.00 42.92 40.87 1auk s ASP 357 CO 0.07 -0.59 1.58 0.18 -0.17 0.00 0.00 175.17 176.24 1auk n LEU 358 N 6.06 4.68 -0.26 -1.34 4.77 -1.26 -4.66 117.00 124.99 1auk n LEU 358 Ca 0.09 -2.37 -0.04 0.00 -0.03 0.00 0.00 56.01 53.67 1auk n LEU 358 Cb 0.47 -0.59 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1auk n LEU 358 CO 0.50 0.69 1.16 0.77 -1.33 0.00 0.00 177.39 179.19 1auk h SER 359 N 3.70 0.78 -0.48 -1.43 4.64 -1.92 -1.18 113.55 117.66 1auk h SER 359 Ca 0.00 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.40 1auk h SER 359 Cb 1.51 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 63.35 1auk h SER 359 CO 0.29 0.54 0.02 -0.65 -0.87 0.00 0.00 176.83 176.17 1auk h PRO 360 N 0.92 0.14 -0.38 4.77 0.11 -1.90 0.62 132.00 136.27 1auk h PRO 360 Ca 0.28 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.41 1auk h PRO 360 Cb -0.02 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 1auk h PRO 360 CO -0.09 0.09 0.19 1.25 -0.21 0.00 0.00 178.00 179.23 1auk h LEU 361 N 0.14 0.29 -0.59 2.35 5.85 -1.50 0.59 115.31 122.43 1auk h LEU 361 Ca 0.24 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1auk h LEU 361 Cb 0.36 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1auk h LEU 361 CO -0.38 0.21 0.21 -0.07 -0.34 0.00 0.00 178.44 178.07 1auk h LEU 362 N 0.40 0.84 -0.24 2.25 4.07 0.15 -2.97 115.31 119.81 1auk h LEU 362 Ca 0.16 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1auk h LEU 362 Cb 0.06 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.58 1auk h LEU 362 CO -0.11 0.80 -0.14 0.18 -1.08 0.00 0.00 178.44 178.10 1auk n LEU 363 N -4.44 0.51 -1.55 1.67 4.77 0.20 -4.48 117.00 113.67 1auk n LEU 363 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1auk n LEU 363 Cb 0.19 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1auk n LEU 363 CO 0.39 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1auk n GLY 364 N 1.31 0.12 0.00 -0.72 0.00 0.20 -4.91 105.19 101.19 1auk n GLY 364 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1auk n GLY 364 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1auk n THR 365 N -3.83 0.00 -3.63 2.61 -2.24 -0.70 -5.04 114.28 101.46 1auk n THR 365 Ca -0.05 -0.48 -0.04 0.00 -2.27 0.00 0.00 64.05 61.21 1auk n THR 365 Cb 0.56 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.84 1auk n THR 365 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1auk n GLY 366 N 0.21 1.09 3.81 3.38 0.00 -1.17 -4.98 105.19 107.53 1auk n GLY 366 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1auk n GLY 366 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1auk s LYS 367 N -2.05 2.61 0.28 1.61 1.02 -1.26 -3.63 119.74 118.32 1auk s LYS 367 Ca 0.13 -1.38 -0.29 0.00 0.02 0.00 0.00 55.97 54.45 1auk s LYS 367 Cb -0.03 -2.38 -0.10 0.00 -0.52 0.00 0.00 37.83 34.81 1auk s LYS 367 CO 0.06 0.10 1.39 0.45 -0.92 0.00 0.00 175.35 176.43 1auk s SER 368 N -3.94 6.70 0.00 2.83 0.15 -1.26 -4.48 113.70 113.70 1auk s SER 368 Ca 0.40 2.67 0.26 0.00 0.70 0.00 0.00 55.95 59.98 1auk s SER 368 Cb -0.05 -2.63 1.21 0.00 -1.71 0.00 0.00 66.02 62.84 1auk s SER 368 CO 0.25 -0.64 1.87 -0.81 1.20 0.00 0.00 173.24 175.11 1auk n PRO 369 N 1.76 0.15 -2.79 5.44 -0.04 -1.26 -4.81 135.00 133.46 1auk n PRO 369 Ca 0.04 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 1auk n PRO 369 Cb 0.41 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 1auk n PRO 369 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1auk s ARG 370 N -2.83 4.47 -0.07 0.54 3.52 -1.26 -4.93 118.95 118.39 1auk s ARG 370 Ca 0.18 1.27 0.08 0.00 -0.13 0.00 0.00 55.73 57.13 1auk s ARG 370 Cb 0.17 -3.49 -0.12 0.00 -1.56 0.00 0.00 34.95 29.95 1auk s ARG 370 CO 0.45 -0.14 0.09 1.04 -0.81 0.00 0.00 175.30 175.93 1auk n GLN 371 N 4.35 1.85 -4.29 5.12 1.13 -1.26 -4.56 117.38 119.71 1auk n GLN 371 Ca 0.05 -0.03 -0.18 0.00 -1.94 0.00 0.00 57.00 54.90 1auk n GLN 371 Cb 0.50 -1.23 -0.11 0.00 0.11 0.00 0.00 30.24 29.52 1auk n GLN 371 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1auk s SER 372 N -3.80 2.30 0.00 1.08 0.01 -1.26 -2.36 113.70 109.67 1auk s SER 372 Ca -0.04 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.31 1auk s SER 372 Cb 0.04 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 1auk s SER 372 CO 0.38 -0.15 -0.03 -0.76 0.41 0.00 0.00 173.24 173.08 1auk s LEU 373 N -2.86 2.02 -0.10 2.44 1.43 -0.24 -4.98 118.68 116.39 1auk s LEU 373 Ca 0.16 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1auk s LEU 373 Cb -0.03 -0.13 -0.00 0.00 0.03 0.00 0.00 46.19 46.05 1auk s LEU 373 CO 0.05 0.01 -0.23 -0.36 0.23 0.00 0.00 176.35 176.05 1auk s PHE 374 N -0.17 2.57 -0.16 0.29 0.08 -1.26 -1.45 117.98 117.89 1auk s PHE 374 Ca -0.00 -0.95 0.02 0.00 0.12 0.00 0.00 56.93 56.12 1auk s PHE 374 Cb -0.02 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1auk s PHE 374 CO -0.00 -0.36 -0.21 -0.06 -0.10 0.00 0.00 175.22 174.49 1auk s PHE 375 N 0.25 2.72 0.08 0.36 0.08 -0.26 -4.71 117.98 116.50 1auk s PHE 375 Ca -0.15 -1.44 0.03 0.00 0.12 0.00 0.00 56.93 55.49 1auk s PHE 375 Cb -0.17 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1auk s PHE 375 CO 0.08 -0.68 0.07 0.71 -0.10 0.00 0.00 175.22 175.30 1auk s TYR 376 N 1.00 3.17 0.85 0.36 2.02 -1.02 -1.70 117.35 122.02 1auk s TYR 376 Ca -0.02 0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.61 1auk s TYR 376 Cb -0.15 -1.61 0.11 0.00 -0.40 0.00 0.00 41.96 39.92 1auk s TYR 376 CO -0.06 0.52 1.21 -1.25 -1.57 0.00 0.00 175.55 174.40 1auk s PRO 377 N -2.40 1.62 0.21 -1.71 0.04 -1.26 -4.56 135.00 126.93 1auk s PRO 377 Ca 0.29 -0.01 -0.09 0.00 0.04 0.00 0.00 61.00 61.23 1auk s PRO 377 Cb -0.12 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.74 1auk s PRO 377 CO 0.22 -1.81 1.83 0.77 0.04 0.00 0.00 177.00 178.04 1auk h SER 378 N -1.21 0.65 -3.28 6.66 0.02 -1.97 -3.32 113.55 111.09 1auk h SER 378 Ca -0.46 0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 59.84 1auk h SER 378 Cb 1.31 -0.11 -0.38 0.00 0.14 0.00 0.00 62.40 63.35 1auk h SER 378 CO 0.59 0.43 -0.29 -0.31 -1.14 0.00 0.00 176.83 176.10 1auk s TYR 379 N -6.09 3.76 0.68 3.45 1.51 -1.26 -2.52 117.35 116.87 1auk s TYR 379 Ca -0.13 -3.15 -0.11 0.00 -1.01 0.00 0.00 57.07 52.67 1auk s TYR 379 Cb 0.16 -3.03 -0.00 0.00 -0.11 0.00 0.00 41.96 38.98 1auk s TYR 379 CO 0.77 -0.66 1.07 -1.25 -1.11 0.00 0.00 175.55 174.37 1auk s PRO 380 N -1.35 3.10 0.06 -1.71 0.04 -1.25 -5.09 135.00 128.79 1auk s PRO 380 Ca 0.26 0.55 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 1auk s PRO 380 Cb -0.07 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1auk s PRO 380 CO -0.14 -0.88 0.38 0.16 0.04 0.00 0.00 177.00 176.56 1auk s ASP 381 N -4.30 -0.23 0.26 6.66 1.47 -1.26 -4.98 116.67 114.29 1auk s ASP 381 Ca 0.57 -0.11 0.26 0.00 1.18 0.00 0.00 52.55 54.45 1auk s ASP 381 Cb -0.11 0.41 0.79 0.00 -0.34 0.00 0.00 42.92 43.67 1auk s ASP 381 CO 0.52 -0.68 1.75 -0.33 0.68 0.00 0.00 175.17 177.12 1auk h GLU 382 N 2.97 0.00 0.01 2.11 5.08 -1.98 -1.30 114.58 121.47 1auk h GLU 382 Ca -0.32 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1auk h GLU 382 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1auk h GLU 382 CO 0.45 0.00 -0.18 0.28 -1.00 0.00 0.00 179.01 178.56 1auk h VAL 383 N 0.00 1.64 0.07 3.13 2.07 -2.01 -3.37 116.25 117.79 1auk h VAL 383 Ca 0.00 -2.11 -0.28 0.00 0.82 0.00 0.00 66.70 65.13 1auk h VAL 383 Cb 0.71 3.03 0.02 0.00 -1.52 0.00 0.00 31.29 33.53 1auk h VAL 383 CO 0.00 0.56 -1.16 0.03 0.02 0.00 0.00 177.57 177.02 1auk h ARG 384 N -0.70 0.62 0.00 1.57 3.08 -1.99 -3.50 114.38 113.46 1auk h ARG 384 Ca -0.03 -0.77 0.00 0.00 0.07 0.00 0.00 59.98 59.26 1auk h ARG 384 Cb 1.03 0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1auk h ARG 384 CO 0.03 1.34 0.00 0.41 -1.07 0.00 0.00 179.97 180.68 1auk n GLY 385 N 1.26 -0.13 3.70 0.04 0.00 -0.49 -4.81 105.19 104.75 1auk n GLY 385 Ca -0.12 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1auk n GLY 385 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1auk n VAL 386 N 0.00 1.78 0.04 1.61 0.24 -1.26 -4.78 118.33 115.96 1auk n VAL 386 Ca 0.00 -0.44 -0.22 0.00 -2.04 0.00 0.00 64.34 61.63 1auk n VAL 386 Cb 0.00 -1.61 -0.14 0.00 -1.47 0.00 0.00 33.84 30.61 1auk n VAL 386 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1auk h PHE 387 N 2.98 0.60 -3.44 6.34 -1.00 -1.64 -3.46 116.94 117.32 1auk h PHE 387 Ca -0.46 -0.44 -0.15 0.00 2.81 0.00 0.00 57.97 59.72 1auk h PHE 387 Cb 1.27 -0.02 -0.22 0.00 3.61 0.00 0.00 35.95 40.59 1auk h PHE 387 CO 0.52 1.63 -0.48 0.00 -1.61 0.00 0.00 178.31 178.37 1auk s ALA 388 N -2.53 -0.37 -0.02 2.45 0.00 -1.14 -0.85 121.76 119.29 1auk s ALA 388 Ca -0.18 0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1auk s ALA 388 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1auk s ALA 388 CO 0.82 -0.18 -0.06 0.08 0.00 0.00 0.00 175.76 176.41 1auk s VAL 389 N -1.03 0.53 -0.07 0.00 1.01 -0.80 -1.10 120.40 118.93 1auk s VAL 389 Ca -0.11 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1auk s VAL 389 Cb -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1auk s VAL 389 CO 0.01 0.17 -0.22 -0.60 0.00 0.00 0.00 175.10 174.46 1auk s ARG 390 N 0.17 2.75 -0.05 2.72 3.52 -0.53 -1.44 118.95 126.10 1auk s ARG 390 Ca -0.02 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1auk s ARG 390 Cb -0.06 -2.27 0.03 0.00 -1.56 0.00 0.00 34.95 31.08 1auk s ARG 390 CO -0.00 0.35 0.03 0.99 -0.81 0.00 0.00 175.30 175.86 1auk s THR 391 N -0.06 0.09 0.00 4.11 2.01 -0.13 -1.08 115.64 120.58 1auk s THR 391 Ca -0.06 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1auk s THR 391 Cb -0.14 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.07 1auk s THR 391 CO 0.05 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1auk n GLY 392 N 5.04 3.62 0.83 4.40 0.00 -0.99 -1.75 105.19 116.34 1auk n GLY 392 Ca -0.09 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1auk n GLY 392 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1auk n LYS 393 N 13.88 2.13 -3.75 1.61 2.85 -1.26 -4.92 118.16 128.70 1auk n LYS 393 Ca 0.00 -1.66 -0.37 0.00 -1.05 0.00 0.00 58.31 55.23 1auk n LYS 393 Cb 0.00 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 32.85 1auk n LYS 393 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1auk s TYR 394 N -1.89 3.65 -0.08 5.58 2.02 -0.72 0.32 117.35 126.23 1auk s TYR 394 Ca 0.33 0.70 -0.00 0.00 -0.37 0.00 0.00 57.07 57.72 1auk s TYR 394 Cb 0.20 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1auk s TYR 394 CO 0.31 0.71 -0.05 0.21 -1.57 0.00 0.00 175.55 175.16 1auk s LYS 395 N -1.05 1.04 -0.12 -0.62 2.20 -0.13 -0.96 119.74 120.10 1auk s LYS 395 Ca 0.18 -0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 55.62 1auk s LYS 395 Cb -0.14 -1.16 -0.04 0.00 -1.51 0.00 0.00 37.83 34.99 1auk s LYS 395 CO 0.07 -0.20 0.12 0.00 -0.36 0.00 0.00 175.35 174.98 1auk s ALA 396 N 1.48 3.79 -0.30 3.13 0.00 -0.52 -0.90 121.76 128.44 1auk s ALA 396 Ca -0.01 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 1auk s ALA 396 Cb -0.13 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.12 1auk s ALA 396 CO -0.04 0.59 0.02 -1.01 0.00 0.00 0.00 175.76 175.32 1auk s HIS 397 N -0.93 3.23 -0.26 0.00 3.76 -0.18 -1.91 115.29 118.99 1auk s HIS 397 Ca 0.14 -1.68 0.19 0.00 -0.15 0.00 0.00 55.06 53.56 1auk s HIS 397 Cb -0.12 -2.15 0.15 0.00 1.11 0.00 0.00 32.58 31.57 1auk s HIS 397 CO 0.03 -0.76 1.44 0.74 -0.85 0.00 0.00 174.74 175.34 1auk h PHE 398 N 8.06 0.00 -3.27 1.40 -1.00 -1.25 -2.57 116.94 118.31 1auk h PHE 398 Ca -0.24 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.40 1auk h PHE 398 Cb 1.08 0.00 -0.22 0.00 3.61 0.00 0.00 35.95 40.41 1auk h PHE 398 CO 0.61 0.29 -0.42 -0.06 -1.61 0.00 0.00 178.31 177.12 1auk s PHE 399 N -3.07 -0.12 0.09 -0.55 0.08 -1.18 -0.23 117.98 113.00 1auk s PHE 399 Ca 0.04 0.23 0.04 0.00 0.12 0.00 0.00 56.93 57.36 1auk s PHE 399 Cb 0.07 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.52 1auk s PHE 399 CO 0.72 -0.26 -0.11 -0.08 -0.10 0.00 0.00 175.22 175.40 1auk s THR 400 N -0.85 0.97 -0.28 0.64 -1.32 -0.25 -4.76 115.64 109.79 1auk s THR 400 Ca -0.09 -1.56 -0.21 0.00 -1.21 0.00 0.00 61.69 58.61 1auk s THR 400 Cb -0.05 -1.28 0.11 0.00 -1.51 0.00 0.00 72.50 69.77 1auk s THR 400 CO 0.02 -0.49 0.91 -1.58 -2.21 0.00 0.00 174.62 171.28 1auk s GLN 401 N -2.54 0.56 0.33 7.08 0.74 -1.26 -0.99 119.66 123.57 1auk s GLN 401 Ca 0.04 0.78 -0.05 0.00 0.05 0.00 0.00 55.36 56.17 1auk s GLN 401 Cb -0.05 0.22 0.07 0.00 1.10 0.00 0.00 33.01 34.35 1auk s GLN 401 CO 0.01 -0.09 0.45 0.41 -0.55 0.00 0.00 175.29 175.52 1auk n GLY 402 N 2.98 -0.80 3.44 2.59 0.00 -0.63 -4.70 105.19 108.07 1auk n GLY 402 Ca -0.15 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 1auk n GLY 402 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1auk s SER 403 N -2.67 -0.54 0.55 1.61 0.15 -0.36 -4.74 113.70 107.69 1auk s SER 403 Ca 0.26 0.87 0.27 0.00 0.70 0.00 0.00 55.95 58.05 1auk s SER 403 Cb -0.01 0.87 1.60 0.00 -1.71 0.00 0.00 66.02 66.78 1auk s SER 403 CO 0.18 -0.34 2.17 0.00 1.20 0.00 0.00 173.24 176.45 1auk h ALA 404 N 4.49 1.47 0.00 5.45 0.00 -1.88 0.25 119.26 129.05 1auk h ALA 404 Ca -0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1auk h ALA 404 Cb 1.16 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1auk h ALA 404 CO 0.25 0.07 -0.03 0.45 0.00 0.00 0.00 179.25 179.99 1auk h HIS 405 N 0.00 0.00 -0.38 0.00 3.86 -1.92 -2.23 115.15 114.49 1auk h HIS 405 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1auk h HIS 405 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1auk h HIS 405 CO 0.00 0.03 0.00 0.43 0.86 0.00 0.00 177.93 179.25 1auk n SER 406 N -3.17 4.22 -4.28 2.45 7.64 0.87 -1.90 113.62 119.45 1auk n SER 406 Ca -0.00 -2.81 -0.29 0.00 1.01 0.00 0.00 58.87 56.78 1auk n SER 406 Cb 0.26 -0.54 0.22 0.00 -1.01 0.00 0.00 64.21 63.15 1auk n SER 406 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1auk s ASP 407 N -1.48 1.34 0.00 6.43 1.01 -0.84 -4.34 116.67 118.79 1auk s ASP 407 Ca 0.43 1.06 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1auk s ASP 407 Cb 0.33 -1.62 0.00 0.00 1.01 0.00 0.00 42.92 42.64 1auk s ASP 407 CO 0.13 -3.91 0.00 0.35 0.21 0.00 0.00 175.17 171.95 1auk n THR 408 N -4.68 0.00 -2.63 -1.27 -2.24 -1.26 -2.84 114.28 99.36 1auk n THR 408 Ca 0.07 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.62 1auk n THR 408 Cb 0.58 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.90 1auk n THR 408 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1auk s THR 409 N -3.45 2.18 -0.19 4.28 -4.23 -1.26 -5.00 115.64 107.97 1auk s THR 409 Ca 0.00 -0.63 0.24 0.00 -1.18 0.00 0.00 61.69 60.12 1auk s THR 409 Cb 0.00 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.58 1auk s THR 409 CO 0.00 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.77 1auk h ALA 410 N -0.41 0.95 -1.94 3.99 0.00 -1.97 -3.42 119.26 116.46 1auk h ALA 410 Ca -0.36 -0.11 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 1auk h ALA 410 Cb 1.27 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1auk h ALA 410 CO 0.41 0.14 0.98 0.34 0.00 0.00 0.00 179.25 181.13 1auk s ASP 411 N -6.14 6.64 0.57 0.00 2.15 -1.26 -4.91 116.67 113.73 1auk s ASP 411 Ca 0.04 1.15 0.35 0.00 0.43 0.00 0.00 52.55 54.53 1auk s ASP 411 Cb 0.07 -2.54 1.63 0.00 -0.30 0.00 0.00 42.92 41.78 1auk s ASP 411 CO 0.65 -1.11 2.09 1.55 -0.17 0.00 0.00 175.17 178.18 1auk h PRO 412 N 9.41 0.00 0.00 4.34 0.13 -2.00 -2.67 132.00 141.21 1auk h PRO 412 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1auk h PRO 412 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1auk h PRO 412 CO 1.04 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.85 1auk h ALA 413 N 1.96 1.00 0.00 -0.56 0.00 -1.97 -3.03 119.26 116.67 1auk h ALA 413 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1auk h ALA 413 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1auk h ALA 413 CO 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 179.25 178.73 1auk s HIS 415 N -2.97 2.55 0.52 0.00 3.76 -1.14 -1.22 115.29 116.78 1auk s HIS 415 Ca 0.04 1.55 0.17 0.00 -0.15 0.00 0.00 55.06 56.67 1auk s HIS 415 Cb 0.07 -3.25 1.28 0.00 1.11 0.00 0.00 32.58 31.80 1auk s HIS 415 CO 0.75 -1.81 2.15 0.00 -0.85 0.00 0.00 174.74 174.98 1auk h ALA 416 N 0.28 1.96 0.00 -1.40 0.00 -1.85 0.17 119.26 118.42 1auk h ALA 416 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1auk h ALA 416 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1auk h ALA 416 CO 0.54 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.68 1auk n SER 417 N -4.49 0.01 -4.56 0.00 3.41 -1.26 -4.32 113.62 102.41 1auk n SER 417 Ca -0.03 0.50 -0.41 0.00 -0.26 0.00 0.00 58.87 58.67 1auk n SER 417 Cb 0.10 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.51 1auk n SER 417 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1auk s SER 418 N -3.03 6.38 1.07 4.04 0.01 0.05 -4.99 113.70 117.23 1auk s SER 418 Ca 0.06 -1.11 -0.12 0.00 1.31 0.00 0.00 55.95 56.09 1auk s SER 418 Cb 0.09 -2.57 0.23 0.00 0.21 0.00 0.00 66.02 63.98 1auk s SER 418 CO 0.25 -1.62 1.07 -0.44 0.41 0.00 0.00 173.24 172.91 1auk s SER 419 N 4.56 1.78 -0.04 2.44 0.01 -1.26 -1.60 113.70 119.58 1auk s SER 419 Ca 0.42 1.66 -0.34 0.00 1.31 0.00 0.00 55.95 59.01 1auk s SER 419 Cb -0.03 -2.33 -0.12 0.00 0.21 0.00 0.00 66.02 63.75 1auk s SER 419 CO -0.02 -3.73 1.85 -0.11 0.41 0.00 0.00 173.24 171.65 1auk n LEU 420 N -4.61 3.49 -4.02 2.44 7.94 -1.26 -4.55 117.00 116.43 1auk n LEU 420 Ca 0.06 0.98 -0.23 0.00 -1.11 0.00 0.00 56.01 55.71 1auk n LEU 420 Cb 0.54 -1.40 -0.16 0.00 0.53 0.00 0.00 43.42 42.93 1auk n LEU 420 CO 0.55 -0.05 -0.46 -0.89 -1.11 0.00 0.00 177.39 175.43 1auk s THR 421 N 3.70 1.00 0.25 1.96 2.01 -0.16 -4.98 115.64 119.42 1auk s THR 421 Ca 0.90 -0.43 -0.22 0.00 0.31 0.00 0.00 61.69 62.25 1auk s THR 421 Cb -0.66 -0.90 -0.09 0.00 0.01 0.00 0.00 72.50 70.86 1auk s THR 421 CO 0.49 0.31 0.80 0.00 -0.69 0.00 0.00 174.62 175.53 1auk s ALA 422 N 0.46 3.35 -0.23 7.40 0.00 -1.26 -1.09 121.76 130.39 1auk s ALA 422 Ca -0.09 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1auk s ALA 422 Cb -0.13 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.11 1auk s ALA 422 CO 0.02 0.28 -0.05 -1.01 0.00 0.00 0.00 175.76 175.00 1auk s HIS 423 N -1.55 2.27 -0.13 0.00 3.76 0.68 -4.94 115.29 115.39 1auk s HIS 423 Ca 0.45 -1.66 -0.04 0.00 -0.15 0.00 0.00 55.06 53.67 1auk s HIS 423 Cb -0.17 -1.53 0.05 0.00 1.11 0.00 0.00 32.58 32.04 1auk s HIS 423 CO 0.22 -0.76 0.09 -2.00 -0.85 0.00 0.00 174.74 171.44 1auk s GLU 424 N 1.44 0.02 0.85 1.40 2.56 -1.26 -2.60 118.70 121.11 1auk s GLU 424 Ca -0.05 0.10 -0.11 0.00 0.00 0.00 0.00 54.97 54.91 1auk s GLU 424 Cb -0.18 -1.33 0.10 0.00 2.00 0.00 0.00 34.13 34.72 1auk s GLU 424 CO -0.06 -0.55 1.11 -1.25 -0.56 0.00 0.00 175.26 173.95 1auk s PRO 425 N 2.16 1.60 0.90 4.30 0.04 -1.26 -5.12 135.00 137.61 1auk s PRO 425 Ca 0.03 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 1auk s PRO 425 Cb -0.15 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.71 1auk s PRO 425 CO -0.07 -2.13 1.10 -1.25 0.04 0.00 0.00 177.00 174.69 1auk s PRO 426 N -4.80 1.19 0.23 0.56 0.04 -1.07 -4.98 135.00 126.17 1auk s PRO 426 Ca 0.64 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 1auk s PRO 426 Cb -0.19 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1auk s PRO 426 CO 0.57 -2.40 1.14 -0.51 0.04 0.00 0.00 177.00 175.84 1auk s LEU 427 N -6.40 4.50 -0.07 -3.56 1.43 -0.97 -4.85 118.68 108.77 1auk s LEU 427 Ca 0.65 2.24 -0.00 0.00 -1.03 0.00 0.00 54.13 55.99 1auk s LEU 427 Cb -0.20 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.42 1auk s LEU 427 CO 0.58 -0.24 -0.03 -0.22 0.23 0.00 0.00 176.35 176.67 1auk s LEU 428 N -0.89 0.97 0.12 1.79 2.96 -1.26 -1.01 118.68 121.35 1auk s LEU 428 Ca 0.48 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 1auk s LEU 428 Cb -0.32 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.83 1auk s LEU 428 CO 0.39 -0.13 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.78 1auk s TYR 429 N 1.50 1.82 -0.41 5.38 2.02 -0.08 -1.27 117.35 126.31 1auk s TYR 429 Ca -0.02 -0.43 -0.10 0.00 -0.37 0.00 0.00 57.07 56.16 1auk s TYR 429 Cb -0.13 -0.98 0.06 0.00 -0.40 0.00 0.00 41.96 40.52 1auk s TYR 429 CO -0.03 0.24 0.25 0.34 -1.57 0.00 0.00 175.55 174.77 1auk s ASP 430 N -2.08 5.67 0.38 2.29 -1.08 -1.26 -0.95 116.67 119.64 1auk s ASP 430 Ca 0.09 -1.36 0.26 0.00 -0.52 0.00 0.00 52.55 51.02 1auk s ASP 430 Cb -0.09 -2.00 0.75 0.00 -1.46 0.00 0.00 42.92 40.12 1auk s ASP 430 CO 0.05 -0.50 1.74 -0.07 0.52 0.00 0.00 175.17 176.91 1auk h LEU 431 N 8.42 0.00 -1.01 -1.34 3.38 -0.32 0.12 115.31 124.57 1auk h LEU 431 Ca -0.24 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 1auk h LEU 431 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1auk h LEU 431 CO 0.73 0.00 -0.31 0.77 0.09 0.00 0.00 178.44 179.72 1auk h SER 432 N 0.00 0.33 0.00 -0.43 4.64 -1.94 -2.95 113.55 113.21 1auk h SER 432 Ca 0.00 -0.12 -0.25 0.00 -0.47 0.00 0.00 61.79 60.95 1auk h SER 432 Cb 0.76 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.71 1auk h SER 432 CO 0.00 0.64 -2.13 0.29 -0.87 0.00 0.00 176.83 174.75 1auk n LYS 433 N -4.10 0.98 -3.21 4.77 5.02 -1.17 -4.74 118.16 115.72 1auk n LYS 433 Ca -0.01 -0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 55.99 1auk n LYS 433 Cb 0.42 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1auk n LYS 433 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1auk n ASP 434 N -2.54 2.06 0.29 4.39 2.03 0.42 -4.95 116.55 118.25 1auk n ASP 434 Ca -0.23 -3.14 0.14 0.00 0.52 0.00 0.00 54.79 52.08 1auk n ASP 434 Cb 0.94 -0.63 0.86 0.00 -0.72 0.00 0.00 41.12 41.56 1auk n ASP 434 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1auk h PRO 435 N 3.67 0.00 0.00 -0.67 0.13 -1.71 -2.79 132.00 130.63 1auk h PRO 435 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1auk h PRO 435 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1auk h PRO 435 CO 0.64 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1auk n GLY 436 N -1.34 -0.54 4.12 1.56 0.00 -1.26 -4.72 105.19 103.01 1auk n GLY 436 Ca -0.03 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1auk n GLY 436 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1auk n GLU 437 N -0.93 -2.40 -0.08 1.61 1.02 -1.05 -4.57 120.64 114.25 1auk n GLU 437 Ca 0.11 0.29 -0.10 0.00 -0.02 0.00 0.00 57.16 57.44 1auk n GLU 437 Cb 0.05 -4.24 -0.15 0.00 -0.02 0.00 0.00 31.44 27.08 1auk n GLU 437 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1auk n ASN 438 N -2.92 0.30 -4.01 1.62 3.02 -1.26 -4.92 115.26 107.09 1auk n ASN 438 Ca -0.28 0.12 -0.31 0.00 -0.03 0.00 0.00 54.58 54.07 1auk n ASN 438 Cb 0.67 0.66 -0.15 0.00 -0.61 0.00 0.00 39.78 40.35 1auk n ASN 438 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1auk s TYR 439 N -2.52 3.48 0.03 3.10 2.02 -1.26 -5.08 117.35 117.12 1auk s TYR 439 Ca -0.09 -2.72 -0.30 0.00 -0.37 0.00 0.00 57.07 53.58 1auk s TYR 439 Cb 0.07 -2.56 -0.07 0.00 -0.40 0.00 0.00 41.96 39.00 1auk s TYR 439 CO 0.82 -0.92 1.53 1.21 -1.57 0.00 0.00 175.55 176.62 1auk s ASN 440 N 1.01 6.72 0.49 2.29 3.04 -1.26 -4.72 114.94 122.51 1auk s ASN 440 Ca 0.05 2.30 0.28 0.00 0.04 0.00 0.00 52.86 55.53 1auk s ASN 440 Cb -0.19 -2.56 1.05 0.00 -1.54 0.00 0.00 41.25 38.00 1auk s ASN 440 CO -0.08 -0.81 1.87 -0.07 -3.04 0.00 0.00 177.10 174.97 1auk h LEU 441 N 8.50 0.00 -2.19 3.21 3.38 -1.59 -2.74 115.31 123.87 1auk h LEU 441 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1auk h LEU 441 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1auk h LEU 441 CO 0.92 0.11 0.00 0.18 0.09 0.00 0.00 178.44 179.74 1auk n LEU 442 N -3.23 3.25 0.00 1.67 4.32 -1.26 -4.49 117.00 117.26 1auk n LEU 442 Ca 0.01 -1.47 0.01 0.00 -0.02 0.00 0.00 56.01 54.54 1auk n LEU 442 Cb 0.39 -0.29 0.07 0.00 -1.62 0.00 0.00 43.42 41.97 1auk n LEU 442 CO 0.31 0.74 0.30 0.61 -1.22 0.00 0.00 177.39 178.13 1auk n GLY 443 N 1.47 -0.07 0.00 -0.72 0.00 -1.04 -5.09 105.19 99.74 1auk n GLY 443 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1auk n GLY 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auk n ALA 448 N -0.98 0.00 -1.40 4.61 0.00 -1.26 -5.17 120.51 116.30 1auk n ALA 448 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 1auk n ALA 448 Cb 0.01 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.49 1auk n ALA 448 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1auk n THR 449 N 0.00 1.68 -0.03 0.00 -1.04 -1.26 -4.68 114.28 108.96 1auk n THR 449 Ca 0.00 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.05 61.51 1auk n THR 449 Cb 0.00 -0.51 0.28 0.00 -1.82 0.00 0.00 70.33 68.28 1auk n THR 449 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1auk h PRO 450 N 0.15 0.58 -0.27 -2.82 0.13 -2.05 0.30 132.00 128.03 1auk h PRO 450 Ca -0.44 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 1auk h PRO 450 Cb 1.41 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1auk h PRO 450 CO 0.45 0.59 0.02 1.49 -0.23 0.00 0.00 178.00 180.33 1auk h GLU 451 N 0.56 0.45 -0.10 0.86 4.81 -2.00 -2.22 114.58 116.95 1auk h GLU 451 Ca 0.12 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1auk h GLU 451 Cb 0.32 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1auk h GLU 451 CO 0.01 0.59 0.05 0.28 -0.73 0.00 0.00 179.01 179.22 1auk h VAL 452 N 0.25 1.09 -0.84 0.32 2.07 -1.85 -1.76 116.25 115.53 1auk h VAL 452 Ca 0.08 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1auk h VAL 452 Cb 0.37 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1auk h VAL 452 CO 0.01 0.08 0.55 0.25 0.02 0.00 0.00 177.57 178.48 1auk h LEU 453 N 0.07 0.93 -0.56 2.57 5.85 -0.91 0.71 115.31 123.96 1auk h LEU 453 Ca 0.04 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1auk h LEU 453 Cb 0.08 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1auk h LEU 453 CO -0.01 0.65 0.06 1.56 -0.34 0.00 0.00 178.44 180.36 1auk h GLN 454 N 1.09 0.96 -0.49 1.25 7.50 -1.26 -1.64 115.11 122.52 1auk h GLN 454 Ca 0.32 -0.28 -0.03 0.00 0.50 0.00 0.00 58.65 59.16 1auk h GLN 454 Cb -0.05 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.36 1auk h GLN 454 CO -0.09 0.93 0.17 0.00 -1.50 0.00 0.00 178.83 178.34 1auk h ALA 455 N 0.99 0.65 -0.15 3.87 0.00 -0.55 -2.15 119.26 121.91 1auk h ALA 455 Ca 0.17 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1auk h ALA 455 Cb 0.47 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1auk h ALA 455 CO 0.02 0.28 -0.18 1.25 0.00 0.00 0.00 179.25 180.62 1auk h LEU 456 N 0.66 -0.56 -0.90 0.00 5.85 -0.63 -0.07 115.31 119.66 1auk h LEU 456 Ca 0.16 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1auk h LEU 456 Cb 0.24 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1auk h LEU 456 CO -0.01 -0.23 0.12 0.11 -0.34 0.00 0.00 178.44 178.10 1auk h LYS 457 N -0.22 0.93 0.36 1.25 1.57 -1.17 -1.37 116.57 117.92 1auk h LYS 457 Ca 0.10 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1auk h LYS 457 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1auk h LYS 457 CO -0.27 0.85 -0.17 1.96 -0.57 0.00 0.00 179.45 181.24 1auk h GLN 458 N 0.89 -0.47 -0.78 3.15 4.20 -1.01 -2.32 115.11 118.77 1auk h GLN 458 Ca 0.19 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.02 1auk h GLN 458 Cb 0.35 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.16 1auk h GLN 458 CO 0.00 -0.28 0.43 -0.07 -0.67 0.00 0.00 178.83 178.25 1auk h LEU 459 N -0.55 0.60 -0.48 1.46 3.38 -0.77 0.40 115.31 119.35 1auk h LEU 459 Ca -0.05 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1auk h LEU 459 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1auk h LEU 459 CO 0.08 0.34 -0.11 1.56 0.09 0.00 0.00 178.44 180.40 1auk h GLN 460 N 0.72 0.93 -0.24 1.13 4.20 -1.26 -1.84 115.11 118.75 1auk h GLN 460 Ca 0.38 -0.36 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 1auk h GLN 460 Cb 0.37 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1auk h GLN 460 CO -0.26 1.01 -0.55 1.25 -0.67 0.00 0.00 178.83 179.61 1auk h LEU 461 N 0.78 0.83 -0.55 1.46 5.85 -0.82 -2.12 115.31 120.74 1auk h LEU 461 Ca 0.12 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1auk h LEU 461 Cb 0.67 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1auk h LEU 461 CO 0.05 1.21 0.23 -0.07 -0.34 0.00 0.00 178.44 179.52 1auk h LEU 462 N 0.57 0.75 -0.08 2.25 3.38 -0.77 -1.43 115.31 119.97 1auk h LEU 462 Ca 0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1auk h LEU 462 Cb 1.14 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1auk h LEU 462 CO 0.12 0.70 0.04 0.50 0.09 0.00 0.00 178.44 179.89 1auk h LYS 463 N 0.74 0.11 -0.15 1.13 3.64 -1.31 -2.13 116.57 118.60 1auk h LYS 463 Ca 0.18 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1auk h LYS 463 Cb 0.18 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1auk h LYS 463 CO -0.02 0.16 -0.16 0.00 -2.27 0.00 0.00 179.45 177.15 1auk h ALA 464 N 0.95 1.44 0.12 5.00 0.00 -1.22 -0.59 119.26 124.97 1auk h ALA 464 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1auk h ALA 464 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1auk h ALA 464 CO -0.00 0.39 -0.06 1.96 0.00 0.00 0.00 179.25 181.54 1auk h GLN 465 N 0.23 -0.15 -0.13 0.00 4.20 -1.16 -2.32 115.11 115.78 1auk h GLN 465 Ca 0.04 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1auk h GLN 465 Cb 0.44 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1auk h GLN 465 CO 0.03 0.27 0.05 1.25 -0.67 0.00 0.00 178.83 179.76 1auk h LEU 466 N -0.64 0.07 -1.60 1.46 5.85 -1.24 -1.73 115.31 117.48 1auk h LEU 466 Ca -0.02 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1auk h LEU 466 Cb 0.49 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1auk h LEU 466 CO 0.03 0.06 0.31 0.44 -0.34 0.00 0.00 178.44 178.94 1auk h ASP 467 N 0.12 0.45 1.34 1.25 3.32 -1.19 -1.25 116.42 120.47 1auk h ASP 467 Ca 0.05 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 1auk h ASP 467 Cb 0.02 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1auk h ASP 467 CO -0.05 0.31 -0.58 0.00 -1.72 0.00 0.00 179.24 177.21 1auk h ALA 468 N 1.73 0.65 0.00 3.45 0.00 -0.86 -3.37 119.26 120.86 1auk h ALA 468 Ca 0.19 -0.53 -0.21 0.00 0.00 0.00 0.00 54.91 54.36 1auk h ALA 468 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1auk h ALA 468 CO -0.05 0.73 -1.72 0.00 0.00 0.00 0.00 179.25 178.21 1auk n ALA 469 N -2.26 1.87 -2.66 0.00 0.00 -0.70 -4.91 120.51 111.85 1auk n ALA 469 Ca 0.01 -0.74 -0.41 0.00 0.00 0.00 0.00 53.44 52.30 1auk n ALA 469 Cb 0.75 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1auk n ALA 469 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1auk s VAL 470 N -2.85 4.88 -0.10 0.00 1.01 -0.54 -5.06 120.40 117.73 1auk s VAL 470 Ca -0.05 1.57 -0.05 0.00 0.00 0.00 0.00 61.98 63.45 1auk s VAL 470 Cb 0.09 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1auk s VAL 470 CO 0.83 -0.00 0.10 0.42 0.00 0.00 0.00 175.10 176.45 1auk s THR 471 N 2.36 5.13 -0.02 3.92 -4.23 -1.26 -4.93 115.64 116.62 1auk s THR 471 Ca 0.36 0.04 -0.30 0.00 -1.18 0.00 0.00 61.69 60.62 1auk s THR 471 Cb -0.16 -3.22 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 1auk s THR 471 CO 0.10 0.60 1.02 -0.36 -0.54 0.00 0.00 174.62 175.45 1auk s PHE 472 N -1.00 3.58 0.61 3.99 0.40 -1.26 -4.56 117.98 119.73 1auk s PHE 472 Ca 0.15 1.60 -0.17 0.00 -0.60 0.00 0.00 56.93 57.92 1auk s PHE 472 Cb -0.12 -3.19 -0.03 0.00 0.51 0.00 0.00 43.02 40.20 1auk s PHE 472 CO 0.04 -0.28 1.10 0.20 0.70 0.00 0.00 175.22 176.99 1auk s GLY 473 N 1.06 2.30 0.23 4.36 0.00 0.06 -4.95 107.32 110.38 1auk s GLY 473 Ca 0.52 0.60 -0.31 0.00 0.00 0.00 0.00 44.72 45.53 1auk s GLY 473 CO 0.26 0.95 1.36 -1.05 0.00 0.00 0.00 173.10 174.62 1auk n PRO 474 N -1.99 1.89 -1.71 2.90 -0.02 -1.26 -3.83 135.00 130.98 1auk n PRO 474 Ca 0.10 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1auk n PRO 474 Cb 0.52 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1auk n PRO 474 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1auk s SER 475 N 0.21 6.44 0.02 2.55 0.15 -1.26 -3.95 113.70 117.85 1auk s SER 475 Ca 0.68 2.72 -0.19 0.00 0.70 0.00 0.00 55.95 59.86 1auk s SER 475 Cb -0.68 -2.55 -0.22 0.00 -1.71 0.00 0.00 66.02 60.85 1auk s SER 475 CO 0.51 -1.02 1.13 1.56 1.20 0.00 0.00 173.24 176.62 1auk h GLN 476 N 9.26 0.45 -0.23 5.44 1.08 -1.16 -3.23 115.11 126.71 1auk h GLN 476 Ca -0.47 -0.46 -0.02 0.00 -1.45 0.00 0.00 58.65 56.25 1auk h GLN 476 Cb 1.22 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.76 1auk h GLN 476 CO 0.95 1.11 0.04 0.28 -0.95 0.00 0.00 178.83 180.26 1auk h VAL 477 N -0.03 1.12 -0.02 -0.54 2.07 -1.71 -2.36 116.25 114.77 1auk h VAL 477 Ca -0.07 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1auk h VAL 477 Cb 1.31 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1auk h VAL 477 CO 0.12 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1auk n ALA 478 N -2.49 2.61 0.41 1.67 0.00 -1.22 -3.18 120.51 118.31 1auk n ALA 478 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1auk n ALA 478 Cb 0.16 -1.29 0.50 0.00 0.00 0.00 0.00 19.45 18.82 1auk n ALA 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1auk h ARG 479 N 0.40 0.00 0.00 0.00 3.08 -1.52 -3.48 114.38 112.86 1auk h ARG 479 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1auk h ARG 479 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1auk h ARG 479 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1auk n GLY 480 N 0.26 -3.63 3.52 0.04 0.00 -1.19 -4.82 105.19 99.37 1auk n GLY 480 Ca 0.02 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 1auk n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1auk s GLU 481 N -0.81 1.94 -0.22 1.61 2.02 -1.26 -0.87 118.70 121.10 1auk s GLU 481 Ca 0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 54.97 53.85 1auk s GLU 481 Cb 0.00 -2.20 0.11 0.00 0.10 0.00 0.00 34.13 32.14 1auk s GLU 481 CO 0.00 0.49 0.26 0.34 0.02 0.00 0.00 175.26 176.37 1auk s ASP 482 N -2.13 1.29 0.57 -0.19 2.15 0.84 -4.92 116.67 114.27 1auk s ASP 482 Ca 0.19 -0.25 0.32 0.00 0.43 0.00 0.00 52.55 53.23 1auk s ASP 482 Cb -0.11 0.50 1.72 0.00 -0.30 0.00 0.00 42.92 44.73 1auk s ASP 482 CO 0.11 -0.33 1.96 -0.65 -0.17 0.00 0.00 175.17 176.08 1auk h PRO 483 N 8.29 0.00 0.00 4.34 0.11 -1.97 -0.22 132.00 142.54 1auk h PRO 483 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1auk h PRO 483 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1auk h PRO 483 CO 0.29 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.08 1auk n ALA 484 N -1.89 1.68 0.88 -0.75 0.00 -1.26 -2.21 120.51 116.95 1auk n ALA 484 Ca -0.02 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1auk n ALA 484 Cb 0.21 -1.38 0.45 0.00 0.00 0.00 0.00 19.45 18.73 1auk n ALA 484 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1auk n LEU 485 N -2.18 0.35 -4.78 0.00 4.32 -0.10 -4.85 117.00 109.76 1auk n LEU 485 Ca 0.02 0.38 -0.41 0.00 -0.02 0.00 0.00 56.01 55.99 1auk n LEU 485 Cb 0.23 -0.38 -0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1auk n LEU 485 CO 0.20 -0.02 1.08 -1.10 -1.22 0.00 0.00 177.39 176.33 1auk s GLN 486 N -3.04 4.13 0.19 3.23 -0.21 -0.94 -4.82 119.66 118.20 1auk s GLN 486 Ca 0.12 2.45 -0.30 0.00 0.02 0.00 0.00 55.36 57.65 1auk s GLN 486 Cb 0.17 -2.96 -0.08 0.00 1.00 0.00 0.00 33.01 31.14 1auk s GLN 486 CO 0.60 -0.47 1.09 0.42 -2.12 0.00 0.00 175.29 174.80 1auk s ILE 487 N -1.14 3.87 -0.10 1.08 1.01 -1.26 -5.04 121.20 119.62 1auk s ILE 487 Ca 0.53 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.82 1auk s ILE 487 Cb -0.44 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.00 1auk s ILE 487 CO 0.59 0.30 -0.06 0.00 0.00 0.00 0.00 174.94 175.78 1auk s HIS 490 N -4.97 3.50 0.40 0.00 3.76 -1.26 -4.94 115.29 111.78 1auk s HIS 490 Ca -0.05 -3.31 -0.27 0.00 -0.15 0.00 0.00 55.06 51.28 1auk s HIS 490 Cb 0.17 -2.68 -0.10 0.00 1.11 0.00 0.00 32.58 31.08 1auk s HIS 490 CO 0.66 -0.56 1.41 -0.35 -0.85 0.00 0.00 174.74 175.04 1auk n PRO 491 N 2.04 2.36 0.00 8.40 -0.04 -1.23 -2.47 135.00 144.06 1auk n PRO 491 Ca 0.19 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 1auk n PRO 491 Cb 0.35 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1auk n PRO 491 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1auk n GLY 492 N 0.59 3.02 0.00 0.55 0.00 -1.26 -5.02 105.19 103.07 1auk n GLY 492 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1auk n GLY 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1auk s THR 494 N 0.00 0.00 0.06 0.00 -4.23 -1.26 -4.44 115.64 105.78 1auk s THR 494 Ca 0.00 -0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.31 1auk s THR 494 Cb 0.00 -0.92 -0.06 0.00 1.34 0.00 0.00 72.50 72.85 1auk s THR 494 CO 0.00 -0.01 0.53 -2.16 -0.54 0.00 0.00 174.62 172.45 1auk s PRO 495 N 0.04 4.13 0.20 3.99 0.04 -1.26 -4.83 135.00 137.31 1auk s PRO 495 Ca -0.02 0.66 -0.25 0.00 0.04 0.00 0.00 61.00 61.42 1auk s PRO 495 Cb -0.04 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 1auk s PRO 495 CO 0.03 0.64 0.81 1.03 0.04 0.00 0.00 177.00 179.55 1auk s ARG 496 N -1.15 4.57 0.00 4.56 0.52 -1.26 -1.08 118.95 125.11 1auk s ARG 496 Ca 0.28 1.19 0.20 0.00 -0.52 0.00 0.00 55.73 56.88 1auk s ARG 496 Cb -0.19 -3.16 -0.08 0.00 0.52 0.00 0.00 34.95 32.04 1auk s ARG 496 CO 0.18 0.51 0.94 -0.35 0.02 0.00 0.00 175.30 176.60 1auk n PRO 497 N 1.35 1.12 0.29 3.54 -0.04 -1.26 -4.91 135.00 135.09 1auk n PRO 497 Ca -0.04 -0.61 0.14 0.00 -0.04 0.00 0.00 63.50 62.95 1auk n PRO 497 Cb 0.49 -1.41 0.86 0.00 -0.04 0.00 0.00 33.50 33.40 1auk n PRO 497 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1auk h ALA 498 N 3.24 1.57 -0.07 0.55 0.00 -1.86 -1.97 119.26 120.72 1auk h ALA 498 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1auk h ALA 498 Cb 0.61 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1auk h ALA 498 CO 0.00 0.02 -0.51 0.00 0.00 0.00 0.00 179.25 178.76 1auk s HIS 501 N 11.82 -0.27 0.00 0.00 -3.43 -1.26 -4.45 115.29 117.70 1auk s HIS 501 Ca 0.95 0.33 0.00 0.00 -0.80 0.00 0.00 55.06 55.54 1auk s HIS 501 Cb -0.17 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 1auk s HIS 501 CO 0.26 -0.34 0.00 0.00 -2.00 0.00 0.00 174.74 172.66