#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yiy n PHE 13 N 0.00 -3.51 -4.22 5.64 -0.00 -1.26 -5.08 117.46 109.03 1yiy n PHE 13 Ca 0.00 -0.49 -0.17 0.00 -0.00 0.00 0.00 57.45 56.79 1yiy n PHE 13 Cb 0.00 -0.54 -0.13 0.00 -0.00 0.00 0.00 39.48 38.81 1yiy n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1yiy s ASP 14 N -2.99 1.18 -0.70 5.98 1.11 -1.26 -5.08 116.67 114.92 1yiy s ASP 14 Ca 0.35 -0.41 0.04 0.00 0.18 0.00 0.00 52.55 52.71 1yiy s ASP 14 Cb -0.03 -0.05 0.28 0.00 1.07 0.00 0.00 42.92 44.19 1yiy s ASP 14 CO 0.26 -0.04 0.94 0.00 1.18 0.00 0.00 175.17 177.51 1yiy n LEU 15 N 1.98 4.43 0.00 1.23 -0.00 -1.26 -4.93 117.00 118.46 1yiy n LEU 15 Ca -0.18 -5.48 0.00 0.00 -0.00 0.00 0.00 56.01 50.35 1yiy n LEU 15 Cb 0.55 -0.74 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 1yiy n LEU 15 CO 0.23 2.09 0.14 -2.65 -0.00 0.00 0.00 177.39 177.20 1yiy n PRO 16 N 0.59 0.00 0.00 1.47 -0.02 -1.26 -3.19 135.00 132.59 1yiy n PRO 16 Ca 0.31 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1yiy n PRO 16 Cb 0.39 -1.39 0.04 0.00 -0.02 0.00 0.00 33.50 32.52 1yiy n PRO 16 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1yiy n LYS 17 N -0.75 0.08 -1.77 -0.52 3.00 -1.26 -4.68 118.16 112.26 1yiy n LYS 17 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1yiy n LYS 17 Cb 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 35.03 33.76 1yiy n LYS 17 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1yiy n ARG 18 N -0.76 -0.47 -0.80 1.64 0.00 -1.19 -4.56 116.66 110.53 1yiy n ARG 18 Ca 0.01 0.45 -0.06 0.00 -0.00 0.00 0.00 57.85 58.26 1yiy n ARG 18 Cb 0.00 -4.26 0.23 0.00 0.00 0.00 0.00 32.46 28.43 1yiy n ARG 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1yiy n TYR 19 N -3.57 1.93 -0.61 -0.14 4.01 -1.24 -4.04 117.16 113.50 1yiy n TYR 19 Ca -0.07 -1.00 -0.31 0.00 -0.16 0.00 0.00 57.90 56.36 1yiy n TYR 19 Cb 0.43 -0.58 0.20 0.00 -0.31 0.00 0.00 39.34 39.07 1yiy n TYR 19 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yiy n GLN 20 N -0.09 -1.92 0.00 -0.72 0.00 -1.26 -4.83 117.38 108.56 1yiy n GLN 20 Ca 0.32 -0.54 0.00 0.00 0.00 0.00 0.00 57.00 56.78 1yiy n GLN 20 Cb 1.17 -1.85 0.00 0.00 0.00 0.00 0.00 30.24 29.56 1yiy n GLN 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yiy n GLY 21 N 1.71 0.49 2.75 2.61 0.00 -1.26 -4.76 105.19 106.73 1yiy n GLY 21 Ca 0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1yiy n GLY 21 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yiy n SER 22 N -0.53 -4.30 -0.18 1.61 2.88 -1.26 -4.80 113.62 107.04 1yiy n SER 22 Ca 0.00 -0.03 0.09 0.00 -1.33 0.00 0.00 58.87 57.60 1yiy n SER 22 Cb 0.00 -3.59 0.17 0.00 -0.75 0.00 0.00 64.21 60.04 1yiy n SER 22 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1yiy n THR 23 N -3.72 -0.22 -3.70 2.46 -1.04 -1.26 -4.01 114.28 102.79 1yiy n THR 23 Ca -0.12 1.15 -0.11 0.00 -2.04 0.00 0.00 64.05 62.93 1yiy n THR 23 Cb 0.60 -1.70 -0.11 0.00 -1.82 0.00 0.00 70.33 67.31 1yiy n THR 23 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1yiy s LYS 24 N -5.30 0.41 0.97 -2.82 -2.85 -1.26 -5.14 119.74 103.75 1yiy s LYS 24 Ca -0.07 0.78 -0.11 0.00 -1.00 0.00 0.00 55.97 55.57 1yiy s LYS 24 Cb 0.16 -0.00 0.18 0.00 -2.06 0.00 0.00 37.83 36.10 1yiy s LYS 24 CO 0.41 -0.15 1.10 -1.54 0.10 0.00 0.00 175.35 175.27 1yiy s SER 25 N 1.31 2.56 0.43 0.03 1.04 -1.26 -4.88 113.70 112.94 1yiy s SER 25 Ca -0.09 1.85 0.21 0.00 0.48 0.00 0.00 55.95 58.41 1yiy s SER 25 Cb -0.08 -2.43 1.18 0.00 0.10 0.00 0.00 66.02 64.79 1yiy s SER 25 CO -0.12 -3.27 1.82 0.58 0.98 0.00 0.00 173.24 173.23 1yiy h VAL 26 N -1.98 0.57 -0.00 5.02 2.07 -1.97 -2.37 116.25 117.59 1yiy h VAL 26 Ca -0.50 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1yiy h VAL 26 Cb 1.29 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1yiy h VAL 26 CO 0.47 0.06 -0.00 -0.50 0.02 0.00 0.00 177.57 177.62 1yiy h TRP 27 N 0.32 0.00 0.00 1.57 4.06 -1.98 -0.27 115.95 119.66 1yiy h TRP 27 Ca 0.53 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.48 1yiy h TRP 27 Cb 1.47 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.63 1yiy h TRP 27 CO -0.00 0.59 0.00 1.33 -3.56 0.00 0.00 178.44 176.80 1yiy n VAL 28 N -4.80 0.14 0.04 1.49 0.24 -0.90 -0.48 118.33 114.05 1yiy n VAL 28 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1yiy n VAL 28 Cb 0.30 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1yiy n VAL 28 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1yiy n GLU 29 N 0.16 0.00 0.18 7.34 2.13 -1.14 -4.73 120.64 124.57 1yiy n GLU 29 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1yiy n GLU 29 Cb 0.25 -0.22 0.31 0.00 0.27 0.00 0.00 31.44 32.05 1yiy n GLU 29 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1yiy h TYR 30 N 0.00 0.00 0.00 4.31 0.05 -1.01 -1.42 116.97 118.90 1yiy h TYR 30 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1yiy h TYR 30 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1yiy h TYR 30 CO 0.00 0.43 -0.11 0.82 -1.05 0.00 0.00 178.16 178.25 1yiy h ILE 31 N 0.00 0.52 0.00 -2.88 5.03 -0.98 -1.10 117.51 118.11 1yiy h ILE 31 Ca -0.00 -0.52 -0.23 0.00 -0.12 0.00 0.00 64.86 63.99 1yiy h ILE 31 Cb 0.90 1.34 -0.04 0.00 -3.03 0.00 0.00 36.82 35.99 1yiy h ILE 31 CO 0.06 0.11 -1.23 0.06 -0.68 0.00 0.00 178.15 176.46 1yiy h GLN 32 N 0.00 0.00 -0.19 2.37 -0.00 -1.47 -2.85 115.11 112.97 1yiy h GLN 32 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.57 1yiy h GLN 32 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.81 1yiy h GLN 32 CO 0.01 0.73 -0.20 1.25 -0.00 0.00 0.00 178.83 180.63 1yiy h LEU 33 N 0.00 0.50 -0.15 0.06 5.85 -0.60 -3.06 115.31 117.91 1yiy h LEU 33 Ca -0.11 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 1yiy h LEU 33 Cb 1.81 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1yiy h LEU 33 CO 0.10 0.88 0.08 0.00 -0.34 0.00 0.00 178.44 179.16 1yiy h ALA 34 N 0.64 0.19 -0.01 1.25 0.00 -1.38 0.50 119.26 120.44 1yiy h ALA 34 Ca 0.03 -0.06 -0.68 0.00 0.00 0.00 0.00 54.91 54.20 1yiy h ALA 34 Cb 0.74 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1yiy h ALA 34 CO 0.05 -0.26 3.75 0.00 0.00 0.00 0.00 179.25 182.79 1yiy n ALA 35 N -2.18 7.32 0.01 0.00 0.00 -1.07 -0.22 120.51 124.36 1yiy n ALA 35 Ca -0.04 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1yiy n ALA 35 Cb 0.08 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.14 1yiy n ALA 35 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1yiy n GLN 36 N 3.85 0.00 -0.05 0.00 7.27 -1.05 -4.77 117.38 122.62 1yiy n GLN 36 Ca 0.75 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.92 1yiy n GLN 36 Cb 0.25 0.00 0.11 0.00 2.41 0.00 0.00 30.24 33.01 1yiy n GLN 36 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1yiy n TYR 37 N -2.33 0.14 -3.82 3.69 4.02 0.17 -5.00 117.16 114.04 1yiy n TYR 37 Ca 0.00 -0.09 -0.24 0.00 -0.01 0.00 0.00 57.90 57.57 1yiy n TYR 37 Cb 0.00 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.33 1yiy n TYR 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1yiy n LYS 38 N 1.12 -0.63 -1.51 -0.72 4.76 0.69 -4.94 118.16 116.93 1yiy n LYS 38 Ca 0.13 -0.13 -0.12 0.00 -2.87 0.00 0.00 58.31 55.31 1yiy n LYS 38 Cb 0.50 -0.89 0.07 0.00 -1.84 0.00 0.00 35.03 32.86 1yiy n LYS 38 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1yiy n PRO 39 N -2.94 0.09 -1.95 1.97 -0.04 -1.26 -4.99 135.00 125.89 1yiy n PRO 39 Ca -0.08 -1.34 -0.41 0.00 -0.04 0.00 0.00 63.50 61.64 1yiy n PRO 39 Cb 0.31 -0.40 -0.03 0.00 -0.04 0.00 0.00 33.50 33.34 1yiy n PRO 39 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1yiy s LEU 40 N 0.00 3.42 -0.93 1.53 2.96 0.14 -4.91 118.68 120.89 1yiy s LEU 40 Ca 0.35 0.96 -0.22 0.00 -0.22 0.00 0.00 54.13 55.00 1yiy s LEU 40 Cb -0.02 -3.06 0.07 0.00 0.50 0.00 0.00 46.19 43.69 1yiy s LEU 40 CO 0.23 -2.08 1.31 0.21 -1.32 0.00 0.00 176.35 174.69 1yiy s ASN 41 N 7.56 6.46 0.00 3.68 3.04 -1.26 -1.49 114.94 132.93 1yiy s ASN 41 Ca 0.78 -1.44 0.16 0.00 0.04 0.00 0.00 52.86 52.40 1yiy s ASN 41 Cb -0.19 -2.51 0.24 0.00 -1.54 0.00 0.00 41.25 37.25 1yiy s ASN 41 CO 0.28 -1.43 1.15 0.18 -3.04 0.00 0.00 177.10 174.24 1yiy n LEU 42 N 8.25 2.72 0.00 3.21 4.32 -1.26 -4.81 117.00 129.43 1yiy n LEU 42 Ca 0.24 -1.36 0.00 0.00 -0.02 0.00 0.00 56.01 54.87 1yiy n LEU 42 Cb 0.50 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1yiy n LEU 42 CO 0.62 0.57 0.00 0.61 -1.22 0.00 0.00 177.39 177.98 1yiy n GLY 43 N 0.95 1.37 0.00 -0.72 0.00 -1.26 -0.05 105.19 105.47 1yiy n GLY 43 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1yiy n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yiy n GLN 44 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.40 117.38 113.33 1yiy n GLN 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1yiy n GLN 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 1yiy n GLN 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yiy n GLY 45 N 0.00 -0.06 3.45 2.61 0.00 -1.26 -5.05 105.19 104.88 1yiy n GLY 45 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1yiy n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yiy s PHE 46 N 0.00 -0.48 0.47 1.61 -0.12 -1.26 -5.02 117.98 113.18 1yiy s PHE 46 Ca 0.00 0.25 -0.21 0.00 -0.05 0.00 0.00 56.93 56.91 1yiy s PHE 46 Cb 0.00 0.55 -0.08 0.00 -0.63 0.00 0.00 43.02 42.86 1yiy s PHE 46 CO 0.00 -0.88 1.08 -1.25 -0.05 0.00 0.00 175.22 174.12 1yiy s PRO 47 N -3.77 3.81 0.00 1.99 0.04 -1.25 -4.80 135.00 131.01 1yiy s PRO 47 Ca 0.02 1.51 0.28 0.00 0.04 0.00 0.00 61.00 62.86 1yiy s PRO 47 Cb -0.01 -2.24 1.15 0.00 0.04 0.00 0.00 34.50 33.44 1yiy s PRO 47 CO -0.11 -0.45 1.82 -3.47 0.04 0.00 0.00 177.00 174.83 1yiy n ASP 48 N -0.72 0.40 -3.87 6.66 -0.08 -1.20 -4.94 116.55 112.79 1yiy n ASP 48 Ca 0.08 -0.38 -0.13 0.00 -1.51 0.00 0.00 54.79 52.86 1yiy n ASP 48 Cb 0.51 -0.10 -0.07 0.00 2.34 0.00 0.00 41.12 43.79 1yiy n ASP 48 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1yiy s TYR 49 N -2.61 1.00 0.33 -0.67 -0.85 -1.26 -4.80 117.35 108.49 1yiy s TYR 49 Ca 0.25 -1.22 -0.29 0.00 -0.52 0.00 0.00 57.07 55.29 1yiy s TYR 49 Cb 0.20 -0.29 -0.11 0.00 0.38 0.00 0.00 41.96 42.14 1yiy s TYR 49 CO 0.51 -0.85 1.39 -1.01 -1.52 0.00 0.00 175.55 174.07 1yiy s HIS 50 N -3.84 2.88 0.88 -3.49 3.76 -1.26 -5.03 115.29 109.20 1yiy s HIS 50 Ca 0.33 1.26 -0.12 0.00 -0.15 0.00 0.00 55.06 56.38 1yiy s HIS 50 Cb 0.03 -3.83 0.12 0.00 1.11 0.00 0.00 32.58 30.02 1yiy s HIS 50 CO 0.15 -2.41 1.15 0.00 -0.85 0.00 0.00 174.74 172.78 1yiy s ALA 51 N -0.93 2.03 0.14 -1.40 0.00 -1.26 -4.96 121.76 115.39 1yiy s ALA 51 Ca 0.52 -0.57 -0.33 0.00 0.00 0.00 0.00 51.96 51.58 1yiy s ALA 51 Cb -0.43 -3.01 -0.17 0.00 0.00 0.00 0.00 23.12 19.52 1yiy s ALA 51 CO 0.55 -2.11 1.04 -2.30 0.00 0.00 0.00 175.76 172.94 1yiy n PRO 52 N -3.64 0.76 0.03 0.00 -0.02 -1.26 -4.87 135.00 126.00 1yiy n PRO 52 Ca 0.07 0.27 -0.08 0.00 -2.02 0.00 0.00 63.50 61.74 1yiy n PRO 52 Cb 0.60 -1.69 0.09 0.00 -0.02 0.00 0.00 33.50 32.47 1yiy n PRO 52 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1yiy h LYS 53 N 2.92 0.46 0.00 -0.52 1.63 -1.99 -2.77 116.57 116.31 1yiy h LYS 53 Ca -0.42 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.08 1yiy h LYS 53 Cb 1.37 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1yiy h LYS 53 CO 0.67 0.88 -0.03 0.10 -3.45 0.00 0.00 179.45 177.62 1yiy h TYR 54 N 0.36 0.00 0.04 1.91 -0.00 -1.99 0.14 116.97 117.44 1yiy h TYR 54 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.65 1yiy h TYR 54 Cb 1.06 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.80 1yiy h TYR 54 CO 0.04 0.03 -0.36 0.00 -0.00 0.00 0.00 178.16 177.87 1yiy h ALA 55 N 1.97 -0.01 -0.61 0.10 0.00 -1.85 -2.73 119.26 116.13 1yiy h ALA 55 Ca -0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1yiy h ALA 55 Cb 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1yiy h ALA 55 CO 0.00 0.16 0.14 -0.07 0.00 0.00 0.00 179.25 179.49 1yiy h LEU 56 N -0.60 0.93 -0.74 0.00 3.38 -1.37 -2.39 115.31 114.53 1yiy h LEU 56 Ca -0.06 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1yiy h LEU 56 Cb 1.21 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 1yiy h LEU 56 CO 0.07 0.92 0.41 0.78 0.09 0.00 0.00 178.44 180.72 1yiy h ASN 57 N 0.89 0.59 -0.36 -0.43 2.35 -0.84 -1.84 115.58 115.94 1yiy h ASN 57 Ca 0.19 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1yiy h ASN 57 Cb 0.36 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1yiy h ASN 57 CO 0.00 0.36 0.12 0.00 -1.65 0.00 0.00 177.43 176.26 1yiy h ALA 58 N 1.41 1.41 -0.18 -0.83 0.00 -1.12 -0.91 119.26 119.04 1yiy h ALA 58 Ca 0.35 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1yiy h ALA 58 Cb 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1yiy h ALA 58 CO -0.22 0.43 -0.40 1.25 0.00 0.00 0.00 179.25 180.31 1yiy h LEU 59 N 0.62 0.66 -0.96 0.00 5.85 -0.94 -1.63 115.31 118.91 1yiy h LEU 59 Ca 0.14 -0.56 0.09 0.00 0.84 0.00 0.00 57.88 58.39 1yiy h LEU 59 Cb 0.21 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1yiy h LEU 59 CO -0.01 1.10 0.60 0.00 -0.34 0.00 0.00 178.44 179.80 1yiy h ALA 60 N 0.57 1.39 -0.42 1.25 0.00 -0.98 -1.67 119.26 119.41 1yiy h ALA 60 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1yiy h ALA 60 Cb 1.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1yiy h ALA 60 CO 0.09 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.57 1yiy h ALA 61 N 1.49 1.13 -0.22 0.00 0.00 -1.01 -1.60 119.26 119.05 1yiy h ALA 61 Ca 0.45 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1yiy h ALA 61 Cb 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1yiy h ALA 61 CO -0.22 0.55 -0.45 0.00 0.00 0.00 0.00 179.25 179.12 1yiy h ALA 62 N 1.30 0.35 -0.33 0.00 0.00 -0.67 -0.27 119.26 119.65 1yiy h ALA 62 Ca 0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1yiy h ALA 62 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1yiy h ALA 62 CO 0.02 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.87 1yiy h ALA 63 N 0.62 1.56 -0.49 0.00 0.00 -1.14 -2.71 119.26 117.11 1yiy h ALA 63 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1yiy h ALA 63 Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1yiy h ALA 63 CO 0.10 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.78 1yiy n ASN 64 N -4.37 3.07 -4.74 0.00 3.02 -0.62 -5.00 115.26 106.62 1yiy n ASN 64 Ca 0.02 -1.96 -0.40 0.00 -0.03 0.00 0.00 54.58 52.20 1yiy n ASN 64 Cb 0.16 -0.32 0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1yiy n ASN 64 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1yiy n SER 65 N 1.19 3.09 0.00 6.41 2.88 -0.12 -4.89 113.62 122.19 1yiy n SER 65 Ca 0.19 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 59.00 1yiy n SER 65 Cb 0.51 -1.57 0.66 0.00 -0.75 0.00 0.00 64.21 63.06 1yiy n SER 65 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1yiy n PRO 66 N -0.04 0.28 -3.03 -1.46 -0.04 -1.26 -4.68 135.00 124.78 1yiy n PRO 66 Ca 0.05 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 1yiy n PRO 66 Cb 0.40 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1yiy n PRO 66 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1yiy s ASP 67 N -2.69 6.55 0.23 3.54 -1.08 -1.26 -4.94 116.67 117.02 1yiy s ASP 67 Ca 0.22 0.44 0.22 0.00 -0.52 0.00 0.00 52.55 52.92 1yiy s ASP 67 Cb 0.18 -2.36 0.94 0.00 -1.46 0.00 0.00 42.92 40.21 1yiy s ASP 67 CO 0.44 -0.58 1.67 -0.81 0.52 0.00 0.00 175.17 176.41 1yiy n PRO 68 N 6.10 0.17 0.14 4.34 -0.04 -1.26 -1.91 135.00 142.54 1yiy n PRO 68 Ca 0.01 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 1yiy n PRO 68 Cb 0.48 -1.83 0.31 0.00 -0.04 0.00 0.00 33.50 32.43 1yiy n PRO 68 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1yiy h LEU 69 N 0.00 0.00 -1.87 1.53 4.07 -1.93 -3.31 115.31 113.80 1yiy h LEU 69 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1yiy h LEU 69 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1yiy h LEU 69 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 1yiy h ALA 70 N 2.33 1.00 0.00 1.53 0.00 -1.74 -2.42 119.26 119.96 1yiy h ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yiy h ALA 70 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1yiy h ALA 70 CO 0.00 0.00 -0.09 0.09 0.00 0.00 0.00 179.25 179.25 1yiy n ASN 71 N -2.76 1.89 -4.72 0.00 3.02 -1.24 -3.49 115.26 107.95 1yiy n ASN 71 Ca -0.01 -2.82 -0.29 0.00 -0.03 0.00 0.00 54.58 51.43 1yiy n ASN 71 Cb 0.15 -0.36 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 1yiy n ASN 71 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1yiy s GLN 72 N -2.24 2.12 0.14 3.52 -1.52 -0.91 -5.00 119.66 115.77 1yiy s GLN 72 Ca 0.24 -2.17 -0.34 0.00 -1.95 0.00 0.00 55.36 51.15 1yiy s GLN 72 Cb 0.21 -1.70 -0.17 0.00 -0.22 0.00 0.00 33.01 31.14 1yiy s GLN 72 CO 0.02 -0.23 1.10 0.66 -0.25 0.00 0.00 175.29 176.59 1yiy n TYR 73 N -1.20 1.03 -4.47 0.91 4.01 -1.26 -4.72 117.16 111.46 1yiy n TYR 73 Ca -0.09 0.76 -0.30 0.00 -0.16 0.00 0.00 57.90 58.11 1yiy n TYR 73 Cb 0.66 -2.22 -0.06 0.00 -0.31 0.00 0.00 39.34 37.41 1yiy n TYR 73 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1yiy s THR 74 N -0.18 1.47 0.18 -0.72 -1.32 -1.26 -5.04 115.64 108.77 1yiy s THR 74 Ca 0.76 -1.84 -0.33 0.00 -1.21 0.00 0.00 61.69 59.07 1yiy s THR 74 Cb -0.93 -2.32 -0.15 0.00 -1.51 0.00 0.00 72.50 67.59 1yiy s THR 74 CO 0.53 0.00 1.28 -1.14 -2.21 0.00 0.00 174.62 173.08 1yiy n ARG 75 N -1.36 1.49 -0.15 7.08 0.00 -1.26 -4.88 116.66 117.59 1yiy n ARG 75 Ca -0.12 0.53 -0.03 0.00 -0.00 0.00 0.00 57.85 58.23 1yiy n ARG 75 Cb 0.66 -2.11 0.04 0.00 0.00 0.00 0.00 32.46 31.05 1yiy n ARG 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1yiy h GLY 76 N 3.92 0.42 1.16 5.14 0.00 -1.99 -1.24 103.07 110.48 1yiy h GLY 76 Ca -0.44 0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1yiy h GLY 76 CO 0.74 -0.15 0.00 0.69 0.00 0.00 0.00 176.54 177.82 1yiy n PHE 77 N -5.27 0.00 0.00 5.60 3.72 -1.26 -4.43 117.46 115.82 1yiy n PHE 77 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1yiy n PHE 77 Cb 0.25 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1yiy n PHE 77 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yiy n GLY 78 N 0.79 4.61 3.68 1.37 0.00 -0.47 -1.41 105.19 113.76 1yiy n GLY 78 Ca 0.18 -1.04 -0.55 0.00 0.00 0.00 0.00 46.02 44.61 1yiy n GLY 78 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1yiy n HIS 79 N -1.32 1.95 -0.26 1.61 -0.00 -1.26 -4.47 115.22 111.47 1yiy n HIS 79 Ca 0.00 0.52 0.06 0.00 0.46 0.00 0.00 57.72 58.76 1yiy n HIS 79 Cb 0.00 -2.45 0.20 0.00 -0.12 0.00 0.00 29.99 27.62 1yiy n HIS 79 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1yiy h PRO 80 N 6.71 0.43 -0.62 1.57 0.11 -1.98 -0.27 132.00 137.96 1yiy h PRO 80 Ca -0.47 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1yiy h PRO 80 Cb 1.32 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1yiy h PRO 80 CO 0.92 0.29 0.40 -0.09 -0.21 0.00 0.00 178.00 179.31 1yiy h ARG 81 N 0.45 0.81 -0.09 1.05 2.43 -1.95 -2.18 114.38 114.90 1yiy h ARG 81 Ca 0.43 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.41 1yiy h ARG 81 Cb 0.67 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1yiy h ARG 81 CO -0.42 0.54 -0.47 1.25 -1.51 0.00 0.00 179.97 179.37 1yiy h LEU 82 N 0.84 0.57 -0.72 3.80 6.46 -1.33 -2.71 115.31 122.21 1yiy h LEU 82 Ca 0.23 -0.65 0.01 0.00 -0.12 0.00 0.00 57.88 57.34 1yiy h LEU 82 Cb -0.09 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.64 1yiy h LEU 82 CO -0.05 1.13 0.48 0.58 -0.62 0.00 0.00 178.44 179.96 1yiy h VAL 83 N 0.05 1.19 -0.10 1.05 2.07 -1.25 0.35 116.25 119.60 1yiy h VAL 83 Ca -0.03 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1yiy h VAL 83 Cb 1.12 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1yiy h VAL 83 CO 0.10 0.18 0.05 1.56 0.02 0.00 0.00 177.57 179.48 1yiy h GLN 84 N 0.98 0.14 -0.50 1.57 4.20 -1.44 0.59 115.11 120.65 1yiy h GLN 84 Ca 0.26 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.89 1yiy h GLN 84 Cb -0.11 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1yiy h GLN 84 CO -0.06 0.19 0.03 0.00 -0.67 0.00 0.00 178.83 178.32 1yiy h ALA 85 N 0.95 0.67 -0.56 3.87 0.00 -1.18 -0.98 119.26 122.03 1yiy h ALA 85 Ca 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1yiy h ALA 85 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1yiy h ALA 85 CO -0.01 0.45 0.35 -0.07 0.00 0.00 0.00 179.25 179.97 1yiy h LEU 86 N 0.72 0.57 -0.52 0.00 4.07 -0.24 -1.51 115.31 118.41 1yiy h LEU 86 Ca 0.15 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.06 1yiy h LEU 86 Cb 0.47 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1yiy h LEU 86 CO 0.02 0.40 0.14 -1.28 -1.08 0.00 0.00 178.44 176.64 1yiy h SER 87 N 0.69 0.78 -0.88 -0.43 0.87 -0.67 -1.80 113.55 112.11 1yiy h SER 87 Ca 0.22 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1yiy h SER 87 Cb 0.00 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 61.71 1yiy h SER 87 CO -0.09 0.80 0.58 0.50 -0.53 0.00 0.00 176.83 178.09 1yiy h LYS 88 N 0.72 1.13 0.53 2.24 1.63 -0.75 0.21 116.57 122.29 1yiy h LYS 88 Ca 0.16 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1yiy h LYS 88 Cb 0.32 -0.26 0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1yiy h LYS 88 CO -0.00 0.75 -0.26 1.25 -3.45 0.00 0.00 179.45 177.74 1yiy h LEU 89 N 1.17 -0.61 -1.79 5.20 6.46 -1.17 -3.22 115.31 121.36 1yiy h LEU 89 Ca 0.33 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 1yiy h LEU 89 Cb -0.11 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1yiy h LEU 89 CO -0.08 -0.20 -0.12 1.88 -0.62 0.00 0.00 178.44 179.30 1yiy h TYR 90 N -1.18 0.00 -0.68 1.25 0.05 -1.31 -2.36 116.97 112.74 1yiy h TYR 90 Ca -0.07 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 1yiy h TYR 90 Cb 0.55 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 1yiy h TYR 90 CO 0.00 0.12 0.20 0.77 -1.05 0.00 0.00 178.16 178.21 1yiy h SER 91 N 0.00 0.99 0.30 3.88 0.02 -0.61 0.23 113.55 118.37 1yiy h SER 91 Ca -0.00 -0.21 -0.16 0.00 -0.84 0.00 0.00 61.79 60.57 1yiy h SER 91 Cb 0.41 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1yiy h SER 91 CO 0.02 0.94 -0.66 0.06 -1.14 0.00 0.00 176.83 176.05 1yiy h GLN 92 N 0.99 0.33 0.02 3.45 3.07 -1.45 -0.66 115.11 120.86 1yiy h GLN 92 Ca 0.22 -0.25 -0.21 0.00 0.09 0.00 0.00 58.65 58.50 1yiy h GLN 92 Cb 0.31 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.90 1yiy h GLN 92 CO -0.01 0.87 -0.96 -0.07 0.09 0.00 0.00 178.83 178.76 1yiy h LEU 93 N 0.24 0.18 -1.07 0.06 3.38 -1.13 -3.24 115.31 113.73 1yiy h LEU 93 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1yiy h LEU 93 Cb 1.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1yiy h LEU 93 CO 0.11 1.03 -0.17 0.55 0.09 0.00 0.00 178.44 180.06 1yiy n VAL 94 N -3.55 0.00 -3.16 1.22 3.14 0.80 -4.93 118.33 111.84 1yiy n VAL 94 Ca -0.03 -0.28 -0.21 0.00 -2.96 0.00 0.00 64.34 60.86 1yiy n VAL 94 Cb 0.87 0.86 0.05 0.00 -1.06 0.00 0.00 33.84 34.56 1yiy n VAL 94 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1yiy n ASP 95 N 0.19 -5.80 -3.64 6.55 -0.08 -0.55 -4.87 116.55 108.35 1yiy n ASP 95 Ca 0.14 -0.35 -0.15 0.00 -1.51 0.00 0.00 54.79 52.92 1yiy n ASP 95 Cb 0.43 -4.54 -0.08 0.00 2.34 0.00 0.00 41.12 39.28 1yiy n ASP 95 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yiy s ARG 96 N -5.83 0.80 -0.34 -0.67 1.70 -0.37 -5.03 118.95 109.22 1yiy s ARG 96 Ca 0.38 0.34 -0.29 0.00 -0.47 0.00 0.00 55.73 55.69 1yiy s ARG 96 Cb -0.17 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1yiy s ARG 96 CO 0.47 -0.20 1.35 0.95 -1.08 0.00 0.00 175.30 176.79 1yiy s THR 97 N -0.66 4.05 -0.09 4.99 -4.23 -1.26 -4.21 115.64 114.23 1yiy s THR 97 Ca -0.07 1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 61.45 1yiy s THR 97 Cb -0.03 -4.16 -0.05 0.00 1.34 0.00 0.00 72.50 69.60 1yiy s THR 97 CO 0.05 -0.57 0.32 0.27 -0.54 0.00 0.00 174.62 174.15 1yiy s ILE 98 N 4.75 5.23 -0.21 2.99 -5.25 -1.26 -5.03 121.20 122.43 1yiy s ILE 98 Ca 0.58 0.63 -0.29 0.00 -0.99 0.00 0.00 60.65 60.58 1yiy s ILE 98 Cb -0.16 -3.63 -0.02 0.00 2.95 0.00 0.00 42.46 41.60 1yiy s ILE 98 CO 0.27 0.49 1.39 0.21 -1.79 0.00 0.00 174.94 175.51 1yiy s ASN 99 N -0.33 6.70 0.55 4.36 3.84 -1.26 -4.85 114.94 123.96 1yiy s ASN 99 Ca 0.20 1.57 0.30 0.00 0.21 0.00 0.00 52.86 55.13 1yiy s ASN 99 Cb -0.14 -2.54 1.61 0.00 -0.55 0.00 0.00 41.25 39.63 1yiy s ASN 99 CO 0.08 -0.99 2.13 1.55 -2.79 0.00 0.00 177.10 177.08 1yiy h PRO 100 N 9.24 0.00 0.00 0.43 0.13 -1.93 0.36 132.00 140.23 1yiy h PRO 100 Ca -0.29 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.53 1yiy h PRO 100 Cb 1.12 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 1yiy h PRO 100 CO 1.00 0.08 -1.91 -1.33 -0.23 0.00 0.00 178.00 175.61 1yiy n MET 101 N -3.58 0.65 -0.00 0.86 2.81 -1.26 -4.33 117.12 112.26 1yiy n MET 101 Ca -0.02 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1yiy n MET 101 Cb 0.20 -1.71 -0.00 0.00 -0.71 0.00 0.00 33.22 30.99 1yiy n MET 101 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1yiy n THR 102 N -2.96 0.00 -0.65 2.03 5.66 -1.19 -4.70 114.28 112.48 1yiy n THR 102 Ca -0.21 -0.37 0.06 0.00 -3.05 0.00 0.00 64.05 60.48 1yiy n THR 102 Cb 1.08 0.87 0.13 0.00 -1.55 0.00 0.00 70.33 70.86 1yiy n THR 102 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1yiy n GLU 103 N -1.13 2.28 -3.88 1.09 1.02 0.11 -4.30 120.64 115.83 1yiy n GLU 103 Ca 0.00 -2.27 -0.11 0.00 -0.02 0.00 0.00 57.16 54.76 1yiy n GLU 103 Cb 0.00 -1.40 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 1yiy n GLU 103 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1yiy s VAL 104 N -2.12 0.03 -0.05 2.62 0.11 -1.23 -2.10 120.40 117.67 1yiy s VAL 104 Ca 0.24 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1yiy s VAL 104 Cb 0.20 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.90 1yiy s VAL 104 CO 0.05 -0.13 -0.08 -0.22 -3.33 0.00 0.00 175.10 171.39 1yiy s LEU 105 N -0.39 1.49 0.02 2.54 2.96 0.00 -4.82 118.68 120.48 1yiy s LEU 105 Ca -0.04 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.53 1yiy s LEU 105 Cb -0.03 -0.58 -0.06 0.00 0.50 0.00 0.00 46.19 46.02 1yiy s LEU 105 CO 0.00 -0.01 0.42 -0.69 -1.32 0.00 0.00 176.35 174.75 1yiy s VAL 106 N 0.75 5.02 0.21 1.68 1.01 -0.50 -1.22 120.40 127.35 1yiy s VAL 106 Ca -0.12 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 1yiy s VAL 106 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1yiy s VAL 106 CO 0.02 0.52 0.13 0.42 0.00 0.00 0.00 175.10 176.18 1yiy s THR 107 N -1.15 0.06 -1.28 3.92 -4.23 -0.28 -4.66 115.64 108.02 1yiy s THR 107 Ca 0.26 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.61 1yiy s THR 107 Cb -0.16 -2.52 0.10 0.00 1.34 0.00 0.00 72.50 71.26 1yiy s THR 107 CO 0.15 0.00 1.69 0.52 -0.54 0.00 0.00 174.62 176.43 1yiy n VAL 108 N -0.30 4.02 0.00 2.29 0.31 -1.26 -0.46 118.33 122.93 1yiy n VAL 108 Ca 0.02 -4.24 0.00 0.00 -0.01 0.00 0.00 64.34 60.11 1yiy n VAL 108 Cb 0.66 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1yiy n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yiy n GLY 109 N 4.83 -1.62 0.30 2.92 0.00 -0.93 -2.68 105.19 108.02 1yiy n GLY 109 Ca 0.45 -1.53 0.17 0.00 0.00 0.00 0.00 46.02 45.11 1yiy n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yiy h ALA 110 N 0.00 1.27 0.34 4.61 0.00 -1.82 -2.94 119.26 120.71 1yiy h ALA 110 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1yiy h ALA 110 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yiy h ALA 110 CO 0.00 0.04 -0.27 -0.92 0.00 0.00 0.00 179.25 178.10 1yiy h TYR 111 N 0.00 -0.71 0.00 0.00 3.20 -1.93 0.13 116.97 117.65 1yiy h TYR 111 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1yiy h TYR 111 Cb 0.13 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1yiy h TYR 111 CO 0.00 -0.40 -0.06 1.49 -1.64 0.00 0.00 178.16 177.55 1yiy h GLU 112 N -0.61 0.00 -0.22 1.82 4.81 -1.36 -1.80 114.58 117.21 1yiy h GLU 112 Ca -0.02 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1yiy h GLU 112 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1yiy h GLU 112 CO -0.01 0.06 -0.12 0.00 -0.73 0.00 0.00 179.01 178.20 1yiy h ALA 113 N 1.94 0.31 -0.90 2.92 0.00 -1.27 -0.31 119.26 121.95 1yiy h ALA 113 Ca -0.00 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1yiy h ALA 113 Cb 0.66 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1yiy h ALA 113 CO 0.01 0.17 0.59 -0.07 0.00 0.00 0.00 179.25 179.95 1yiy h LEU 114 N 0.17 0.99 -0.21 0.00 3.38 -0.49 -1.45 115.31 117.70 1yiy h LEU 114 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1yiy h LEU 114 Cb 0.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1yiy h LEU 114 CO 0.04 0.70 0.06 0.22 0.09 0.00 0.00 178.44 179.54 1yiy h TYR 115 N 1.17 0.35 -0.83 1.13 3.20 -1.23 -1.54 116.97 119.21 1yiy h TYR 115 Ca 0.35 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1yiy h TYR 115 Cb -0.05 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1yiy h TYR 115 CO -0.01 0.43 0.42 0.00 -1.64 0.00 0.00 178.16 177.36 1yiy h ALA 116 N 0.88 1.06 0.16 1.82 0.00 -0.81 -0.84 119.26 121.53 1yiy h ALA 116 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1yiy h ALA 116 Cb 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1yiy h ALA 116 CO -0.00 0.61 -0.08 1.15 0.00 0.00 0.00 179.25 180.93 1yiy h THR 117 N 1.16 0.90 0.00 0.00 2.02 -1.18 0.22 112.91 116.04 1yiy h THR 117 Ca 0.29 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1yiy h THR 117 Cb 0.08 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1yiy h THR 117 CO -0.04 0.06 -0.00 0.40 0.37 0.00 0.00 175.52 176.31 1yiy h ILE 118 N -0.34 1.31 -0.45 3.11 2.04 -1.17 -0.72 117.51 121.29 1yiy h ILE 118 Ca -0.02 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 64.96 1yiy h ILE 118 Cb 0.27 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1yiy h ILE 118 CO 0.04 0.24 0.30 1.56 0.00 0.00 0.00 178.15 180.29 1yiy h GLN 119 N -0.40 0.35 0.00 2.37 1.08 -1.24 0.46 115.11 117.74 1yiy h GLN 119 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1yiy h GLN 119 Cb 0.40 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1yiy h GLN 119 CO 0.00 0.23 -0.49 0.41 -0.95 0.00 0.00 178.83 178.03 1yiy n GLY 120 N -1.52 -1.39 0.00 3.46 0.00 0.06 -4.24 105.19 101.56 1yiy n GLY 120 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1yiy n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yiy n HIS 121 N -1.88 0.00 -4.00 1.61 8.25 -0.30 -4.78 115.22 114.12 1yiy n HIS 121 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 1yiy n HIS 121 Cb 0.40 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.34 1yiy n HIS 121 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1yiy s VAL 122 N -0.08 1.45 0.51 1.59 -7.23 0.12 -4.97 120.40 111.79 1yiy s VAL 122 Ca 0.00 -0.56 0.09 0.00 -1.81 0.00 0.00 61.98 59.70 1yiy s VAL 122 Cb 0.00 -1.38 0.05 0.00 0.56 0.00 0.00 36.38 35.61 1yiy s VAL 122 CO 0.00 0.44 0.68 -0.62 -0.31 0.00 0.00 175.10 175.29 1yiy s ASP 123 N 1.53 5.30 -0.13 4.85 -1.08 -1.26 -4.66 116.67 121.22 1yiy s ASP 123 Ca 0.05 -0.69 -0.37 0.00 -0.52 0.00 0.00 52.55 51.02 1yiy s ASP 123 Cb -0.13 -0.10 -0.14 0.00 -1.46 0.00 0.00 42.92 41.09 1yiy s ASP 123 CO -0.10 -1.08 1.74 -0.62 0.52 0.00 0.00 175.17 175.63 1yiy n GLU 124 N -2.05 1.64 0.00 4.34 -0.58 -1.26 -1.29 120.64 121.45 1yiy n GLU 124 Ca 0.12 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 1yiy n GLU 124 Cb 0.61 -2.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.13 1yiy n GLU 124 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yiy n GLY 125 N 4.03 1.58 3.75 0.62 0.00 -0.76 -4.98 105.19 109.43 1yiy n GLY 125 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1yiy n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yiy s ASP 126 N -2.22 6.47 0.02 1.61 1.01 -0.41 -4.67 116.67 118.47 1yiy s ASP 126 Ca 0.00 2.87 -0.16 0.00 0.71 0.00 0.00 52.55 55.96 1yiy s ASP 126 Cb 0.00 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 1yiy s ASP 126 CO 0.00 -0.83 0.46 -1.61 0.21 0.00 0.00 175.17 173.40 1yiy s GLU 127 N -0.69 4.03 -0.15 8.23 2.02 -0.67 -0.00 118.70 131.48 1yiy s GLU 127 Ca 0.60 0.52 0.00 0.00 0.02 0.00 0.00 54.97 56.11 1yiy s GLU 127 Cb -0.46 -3.24 0.03 0.00 0.10 0.00 0.00 34.13 30.56 1yiy s GLU 127 CO 0.48 0.64 -0.11 0.08 0.02 0.00 0.00 175.26 176.37 1yiy s VAL 128 N -0.98 1.43 -0.13 2.63 1.01 -0.50 -0.57 120.40 123.29 1yiy s VAL 128 Ca 0.25 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 1yiy s VAL 128 Cb -0.17 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1yiy s VAL 128 CO 0.15 0.36 0.62 -0.51 0.00 0.00 0.00 175.10 175.72 1yiy s ILE 129 N 1.53 5.07 -0.06 2.22 1.10 -0.19 0.28 121.20 131.15 1yiy s ILE 129 Ca 0.04 1.23 0.05 0.00 -0.51 0.00 0.00 60.65 61.45 1yiy s ILE 129 Cb -0.14 -3.95 -0.00 0.00 0.15 0.00 0.00 42.46 38.52 1yiy s ILE 129 CO -0.10 0.22 -0.21 -0.63 -2.11 0.00 0.00 174.94 172.12 1yiy s ILE 130 N 1.16 1.74 -0.12 2.00 1.01 0.12 -1.19 121.20 125.92 1yiy s ILE 130 Ca 0.31 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.94 1yiy s ILE 130 Cb -0.16 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1yiy s ILE 130 CO 0.13 0.49 0.37 -0.63 0.00 0.00 0.00 174.94 175.30 1yiy s ILE 131 N 0.10 5.23 0.03 2.92 1.01 -1.26 -2.48 121.20 126.74 1yiy s ILE 131 Ca -0.08 0.73 -0.12 0.00 0.00 0.00 0.00 60.65 61.18 1yiy s ILE 131 Cb -0.14 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1yiy s ILE 131 CO 0.04 0.39 0.38 -1.61 0.00 0.00 0.00 174.94 174.15 1yiy s GLU 132 N 0.31 3.81 0.41 2.79 2.02 0.75 -3.30 118.70 125.50 1yiy s GLU 132 Ca 0.21 0.27 -0.23 0.00 0.02 0.00 0.00 54.97 55.23 1yiy s GLU 132 Cb -0.14 -3.12 -0.09 0.00 0.10 0.00 0.00 34.13 30.88 1yiy s GLU 132 CO 0.07 0.64 1.05 -1.25 0.02 0.00 0.00 175.26 175.80 1yiy s PRO 133 N -1.44 4.10 0.11 0.39 0.05 -1.26 0.72 135.00 137.67 1yiy s PRO 133 Ca 0.27 1.51 0.09 0.00 0.05 0.00 0.00 61.00 62.92 1yiy s PRO 133 Cb -0.15 -2.48 -0.04 0.00 0.05 0.00 0.00 34.50 31.88 1yiy s PRO 133 CO 0.15 -0.19 -0.23 -0.59 0.05 0.00 0.00 177.00 176.18 1yiy s PHE 134 N -1.69 1.97 0.12 0.56 -0.71 0.41 -4.67 117.98 113.95 1yiy s PHE 134 Ca 0.59 -0.40 -0.34 0.00 -1.04 0.00 0.00 56.93 55.74 1yiy s PHE 134 Cb -0.22 -1.08 -0.13 0.00 -1.21 0.00 0.00 43.02 40.38 1yiy s PHE 134 CO 0.27 0.24 1.64 0.34 -1.34 0.00 0.00 175.22 176.37 1yiy n PHE 135 N 1.06 2.29 0.28 3.49 7.35 -1.25 -4.48 117.46 126.19 1yiy n PHE 135 Ca -0.19 0.21 0.12 0.00 -0.76 0.00 0.00 57.45 56.83 1yiy n PHE 135 Cb 0.53 -2.57 0.78 0.00 0.35 0.00 0.00 39.48 38.57 1yiy n PHE 135 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1yiy h ASP 136 N 6.55 0.00 0.97 -2.13 -0.00 -1.94 -2.30 116.42 117.57 1yiy h ASP 136 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 1yiy h ASP 136 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.59 1yiy h ASP 136 CO 0.90 0.04 0.00 0.00 -0.00 0.00 0.00 179.24 180.18 1yiy h TYR 138 N 0.00 -0.02 -0.03 0.00 0.05 -1.78 -2.15 116.97 113.04 1yiy h TYR 138 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1yiy h TYR 138 Cb 0.48 0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 1yiy h TYR 138 CO 0.00 -0.06 -0.04 1.49 -1.05 0.00 0.00 178.16 178.50 1yiy h GLU 139 N 0.09 0.07 -0.02 4.88 4.81 -1.81 -2.14 114.58 120.47 1yiy h GLU 139 Ca 0.16 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1yiy h GLU 139 Cb 0.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1yiy h GLU 139 CO -0.28 0.57 -0.03 -1.00 -0.73 0.00 0.00 179.01 177.54 1yiy h PRO 140 N -0.42 0.03 -0.25 0.92 0.13 -1.75 -0.60 132.00 130.06 1yiy h PRO 140 Ca 0.00 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1yiy h PRO 140 Cb 0.56 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1yiy h PRO 140 CO 0.01 0.06 -0.00 0.52 -0.23 0.00 0.00 178.00 178.36 1yiy h MET 141 N 0.03 0.44 -0.11 0.86 2.86 -1.25 0.28 114.93 118.05 1yiy h MET 141 Ca 0.01 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 1yiy h MET 141 Cb 0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1yiy h MET 141 CO 0.00 0.62 -0.44 -0.39 1.06 0.00 0.00 176.91 177.76 1yiy h VAL 142 N 0.22 1.32 -0.10 -2.22 -1.51 -1.01 -2.08 116.25 110.87 1yiy h VAL 142 Ca 0.07 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.95 1yiy h VAL 142 Cb 0.42 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1yiy h VAL 142 CO 0.01 0.47 0.03 0.11 -1.23 0.00 0.00 177.57 176.96 1yiy h LYS 143 N 0.20 0.16 -0.01 5.19 1.57 -0.99 0.21 116.57 122.91 1yiy h LYS 143 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1yiy h LYS 143 Cb 0.86 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1yiy h LYS 143 CO 0.07 0.33 0.01 0.00 -0.57 0.00 0.00 179.45 179.28 1yiy h ALA 144 N 0.83 1.56 -0.01 3.86 0.00 -0.75 -0.36 119.26 124.39 1yiy h ALA 144 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yiy h ALA 144 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yiy h ALA 144 CO -0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 179.25 179.07 1yiy n ALA 145 N -2.33 2.89 -0.58 0.00 0.00 -0.80 -4.83 120.51 114.86 1yiy n ALA 145 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1yiy n ALA 145 Cb 0.09 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1yiy n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yiy n GLY 146 N 1.30 0.74 3.83 0.00 0.00 -0.14 -4.00 105.19 106.91 1yiy n GLY 146 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1yiy n GLY 146 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yiy s GLY 147 N -1.85 1.59 -0.35 -0.02 0.00 0.73 -1.84 107.32 105.60 1yiy s GLY 147 Ca 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1yiy s GLY 147 CO 0.00 0.03 0.06 -0.42 0.00 0.00 0.00 173.10 172.77 1yiy s ILE 148 N -3.33 2.32 0.40 0.90 1.01 1.00 -4.36 121.20 119.14 1yiy s ILE 148 Ca 0.62 -2.36 -0.26 0.00 0.00 0.00 0.00 60.65 58.65 1yiy s ILE 148 Cb -0.13 -2.71 -0.09 0.00 0.01 0.00 0.00 42.46 39.54 1yiy s ILE 148 CO 0.52 -0.61 1.26 -2.16 0.00 0.00 0.00 174.94 173.95 1yiy s PRO 149 N 0.89 4.02 -0.12 2.79 0.04 -1.26 -1.40 135.00 139.96 1yiy s PRO 149 Ca 0.11 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.22 1yiy s PRO 149 Cb -0.19 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.61 1yiy s PRO 149 CO -0.08 -0.42 -0.15 1.03 0.04 0.00 0.00 177.00 177.43 1yiy s ARG 150 N -2.22 2.25 -0.03 4.56 0.52 0.14 -4.86 118.95 119.31 1yiy s ARG 150 Ca 0.56 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 55.24 1yiy s ARG 150 Cb -0.36 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.14 1yiy s ARG 150 CO 0.46 -0.09 -0.10 -0.06 0.02 0.00 0.00 175.30 175.52 1yiy s PHE 151 N 1.08 2.81 -0.07 -0.53 0.08 -1.26 0.13 117.98 120.22 1yiy s PHE 151 Ca -0.04 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 56.94 1yiy s PHE 151 Cb -0.15 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 1yiy s PHE 151 CO -0.03 0.29 -0.08 0.42 -0.10 0.00 0.00 175.22 175.72 1yiy s ILE 152 N -0.84 0.88 0.24 0.64 1.01 -1.04 -4.99 121.20 117.10 1yiy s ILE 152 Ca 0.13 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 1yiy s ILE 152 Cb -0.11 -0.87 -0.07 0.00 0.01 0.00 0.00 42.46 41.42 1yiy s ILE 152 CO 0.03 0.32 0.57 -2.16 0.00 0.00 0.00 174.94 173.69 1yiy s PRO 153 N 1.16 3.80 0.21 2.79 0.04 -1.26 -0.18 135.00 141.56 1yiy s PRO 153 Ca -0.06 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 60.98 1yiy s PRO 153 Cb -0.14 -2.63 -0.09 0.00 0.04 0.00 0.00 34.50 31.69 1yiy s PRO 153 CO -0.02 0.29 0.89 -0.51 0.04 0.00 0.00 177.00 177.69 1yiy s LEU 154 N -2.90 4.63 0.01 -3.56 1.43 0.22 -4.55 118.68 113.97 1yiy s LEU 154 Ca 0.48 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.45 1yiy s LEU 154 Cb -0.11 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1yiy s LEU 154 CO 0.22 0.17 -0.07 -0.54 0.23 0.00 0.00 176.35 176.35 1yiy s LYS 155 N -1.14 0.56 0.53 1.70 1.02 -0.07 -4.75 119.74 117.58 1yiy s LYS 155 Ca 0.39 -0.40 -0.20 0.00 0.02 0.00 0.00 55.97 55.78 1yiy s LYS 155 Cb -0.25 -0.49 -0.06 0.00 -0.52 0.00 0.00 37.83 36.51 1yiy s LYS 155 CO 0.30 0.12 1.16 -1.25 -0.92 0.00 0.00 175.35 174.76 1yiy s PRO 156 N -0.58 3.41 -0.65 -1.68 0.04 -1.26 -0.24 135.00 134.04 1yiy s PRO 156 Ca -0.01 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.48 1yiy s PRO 156 Cb -0.05 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1yiy s PRO 156 CO 0.00 -0.82 1.58 -0.80 0.04 0.00 0.00 177.00 177.00 1yiy s ASN 157 N -1.59 5.72 -0.55 6.66 0.01 0.71 -4.35 114.94 121.55 1yiy s ASN 157 Ca 0.71 0.03 -0.01 0.00 -0.71 0.00 0.00 52.86 52.88 1yiy s ASN 157 Cb -0.27 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 38.86 1yiy s ASN 157 CO 0.31 -2.08 0.03 1.17 -1.51 0.00 0.00 177.10 175.01 1yiy n LYS 158 N 9.20 -0.97 -2.51 -0.60 4.81 -1.26 -4.83 118.16 122.00 1yiy n LYS 158 Ca 0.13 0.03 -0.33 0.00 -0.87 0.00 0.00 58.31 57.27 1yiy n LYS 158 Cb 0.50 -1.29 -0.04 0.00 0.02 0.00 0.00 35.03 34.23 1yiy n LYS 158 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1yiy s THR 159 N -3.25 4.11 -0.38 3.15 -4.23 -1.26 -5.02 115.64 108.76 1yiy s THR 159 Ca 0.04 1.20 0.12 0.00 -1.18 0.00 0.00 61.69 61.86 1yiy s THR 159 Cb -0.02 -3.53 0.40 0.00 1.34 0.00 0.00 72.50 70.69 1yiy s THR 159 CO 0.35 -0.39 1.19 0.61 -0.54 0.00 0.00 174.62 175.83 1yiy n GLY 160 N -0.74 1.43 0.00 3.99 0.00 -1.26 -5.12 105.19 103.48 1yiy n GLY 160 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1yiy n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yiy n GLY 161 N -0.32 0.14 3.64 -0.02 0.00 -1.26 -5.07 105.19 102.30 1yiy n GLY 161 Ca 0.03 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1yiy n GLY 161 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yiy s THR 162 N -4.00 3.54 0.00 2.61 2.01 -1.26 -4.35 115.64 114.19 1yiy s THR 162 Ca 0.00 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1yiy s THR 162 Cb 0.00 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1yiy s THR 162 CO 0.00 -0.18 0.00 2.30 -0.69 0.00 0.00 174.62 176.05 1yiy n ILE 163 N 6.20 0.00 -4.16 1.82 -5.35 -1.04 -5.01 119.36 111.82 1yiy n ILE 163 Ca 0.19 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.45 1yiy n ILE 163 Cb 0.44 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.29 1yiy n ILE 163 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1yiy s SER 164 N -0.96 5.17 0.54 7.28 0.15 -1.26 -0.73 113.70 123.90 1yiy s SER 164 Ca 0.00 -0.40 0.35 0.00 0.70 0.00 0.00 55.95 56.60 1yiy s SER 164 Cb 0.00 -1.19 1.54 0.00 -1.71 0.00 0.00 66.02 64.66 1yiy s SER 164 CO 0.00 -0.04 2.03 0.77 1.20 0.00 0.00 173.24 177.20 1yiy h SER 165 N 1.61 0.00 0.06 5.45 4.64 -1.48 -2.48 113.55 121.36 1yiy h SER 165 Ca -0.47 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1yiy h SER 165 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1yiy h SER 165 CO 0.61 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.50 1yiy h ALA 166 N 2.02 1.87 -0.09 5.18 0.00 -1.94 -2.01 119.26 124.29 1yiy h ALA 166 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yiy h ALA 166 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1yiy h ALA 166 CO 0.00 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 178.95 1yiy n ASP 167 N -4.45 1.19 -4.54 0.00 5.68 -0.93 -4.60 116.55 108.89 1yiy n ASP 167 Ca -0.03 -1.56 -0.43 0.00 -0.50 0.00 0.00 54.79 52.28 1yiy n ASP 167 Cb 0.15 -0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.03 1yiy n ASP 167 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1yiy s TRP 168 N -1.89 2.90 0.17 2.11 0.52 -0.76 -0.20 118.94 121.79 1yiy s TRP 168 Ca 0.34 0.19 0.05 0.00 0.02 0.00 0.00 56.10 56.70 1yiy s TRP 168 Cb 0.18 -3.93 -0.05 0.00 -1.15 0.00 0.00 33.47 28.52 1yiy s TRP 168 CO 0.28 -1.15 -0.09 0.14 0.02 0.00 0.00 176.95 176.14 1yiy s VAL 169 N 3.70 1.23 0.18 4.03 -7.23 0.67 -4.70 120.40 118.28 1yiy s VAL 169 Ca 0.33 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1yiy s VAL 169 Cb -0.11 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1yiy s VAL 169 CO 0.23 -0.64 0.24 -1.48 -0.31 0.00 0.00 175.10 173.14 1yiy s LEU 170 N -3.22 4.09 -0.50 1.32 0.05 -1.26 -0.90 118.68 118.27 1yiy s LEU 170 Ca 0.20 -0.00 -0.28 0.00 0.05 0.00 0.00 54.13 54.10 1yiy s LEU 170 Cb 0.03 -2.67 0.03 0.00 -2.05 0.00 0.00 46.19 41.53 1yiy s LEU 170 CO 0.03 0.02 1.12 -0.62 -0.55 0.00 0.00 176.35 176.36 1yiy s ASP 171 N -3.40 6.57 0.38 1.48 2.15 -1.26 -4.92 116.67 117.67 1yiy s ASP 171 Ca 0.33 0.34 0.09 0.00 0.43 0.00 0.00 52.55 53.73 1yiy s ASP 171 Cb -0.10 -2.54 0.84 0.00 -0.30 0.00 0.00 42.92 40.82 1yiy s ASP 171 CO 0.26 -1.28 1.95 0.78 -0.17 0.00 0.00 175.17 176.71 1yiy h ASN 172 N 9.29 0.58 -0.02 -0.34 -0.26 -1.99 0.13 115.58 122.97 1yiy h ASN 172 Ca -0.24 0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.38 1yiy h ASN 172 Cb 1.06 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.20 1yiy h ASN 172 CO 1.13 0.35 -0.44 0.78 -1.06 0.00 0.00 177.43 178.19 1yiy h ASN 173 N 0.65 0.59 -0.45 5.81 2.35 -2.00 -1.44 115.58 121.08 1yiy h ASN 173 Ca 0.33 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1yiy h ASN 173 Cb 0.42 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1yiy h ASN 173 CO -0.11 0.96 0.05 -0.08 -1.65 0.00 0.00 177.43 176.59 1yiy h GLU 174 N 0.45 0.84 0.66 0.81 4.81 -1.60 -2.37 114.58 118.17 1yiy h GLU 174 Ca 0.03 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 1yiy h GLU 174 Cb 0.95 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.23 1yiy h GLU 174 CO 0.08 0.81 -0.32 1.25 -0.73 0.00 0.00 179.01 180.10 1yiy h LEU 175 N 0.79 -0.75 -1.70 1.64 6.46 -0.56 -2.97 115.31 118.21 1yiy h LEU 175 Ca 0.16 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1yiy h LEU 175 Cb 0.40 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 1yiy h LEU 175 CO 0.01 -0.43 0.27 1.05 -0.62 0.00 0.00 178.44 178.73 1yiy h GLU 176 N -1.07 0.37 -0.17 1.25 4.11 -1.31 0.24 114.58 117.99 1yiy h GLU 176 Ca -0.09 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.36 1yiy h GLU 176 Cb 0.72 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1yiy h GLU 176 CO 0.15 0.24 0.12 0.00 0.07 0.00 0.00 179.01 179.59 1yiy h ALA 177 N 1.77 2.11 0.00 1.06 0.00 -1.32 -1.37 119.26 121.51 1yiy h ALA 177 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1yiy h ALA 177 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yiy h ALA 177 CO -0.04 -0.15 -0.42 -0.07 0.00 0.00 0.00 179.25 178.58 1yiy h LEU 178 N 0.05 0.00 -9.28 0.00 4.07 -0.79 -3.43 115.31 105.92 1yiy h LEU 178 Ca 0.08 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.48 1yiy h LEU 178 Cb 0.26 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1yiy h LEU 178 CO -0.01 0.42 0.62 -0.36 -1.08 0.00 0.00 178.44 178.03 1yiy s PHE 179 N -3.64 3.38 0.00 1.13 0.40 -0.52 -4.88 117.98 113.85 1yiy s PHE 179 Ca -0.00 1.43 0.00 0.00 -0.60 0.00 0.00 56.93 57.76 1yiy s PHE 179 Cb 0.11 -3.29 0.00 0.00 0.51 0.00 0.00 43.02 40.35 1yiy s PHE 179 CO 0.70 -0.69 0.00 0.27 0.70 0.00 0.00 175.22 176.20 1yiy n ASN 180 N 5.08 0.00 -0.06 1.36 6.94 -1.26 -5.02 115.26 122.30 1yiy n ASN 180 Ca 0.10 -0.90 0.15 0.00 -0.02 0.00 0.00 54.58 53.92 1yiy n ASN 180 Cb 0.48 0.00 0.88 0.00 -2.36 0.00 0.00 39.78 38.78 1yiy n ASN 180 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1yiy n GLU 181 N 0.00 1.08 0.00 -3.83 -0.58 -1.26 -2.38 120.64 113.67 1yiy n GLU 181 Ca 0.00 -0.12 0.11 0.00 -0.42 0.00 0.00 57.16 56.73 1yiy n GLU 181 Cb 0.00 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.26 1yiy n GLU 181 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1yiy n LYS 182 N -0.85 0.41 -1.73 3.49 5.02 -1.26 -4.92 118.16 118.32 1yiy n LYS 182 Ca 0.23 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 1yiy n LYS 182 Cb 0.14 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1yiy n LYS 182 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1yiy s THR 183 N -3.32 3.12 -0.22 -0.18 2.01 -1.00 -1.66 115.64 114.38 1yiy s THR 183 Ca -0.01 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.20 1yiy s THR 183 Cb 0.15 -3.09 -0.19 0.00 0.01 0.00 0.00 72.50 69.38 1yiy s THR 183 CO 0.88 -0.02 -0.12 1.17 -0.69 0.00 0.00 174.62 175.85 1yiy n LYS 184 N 7.56 0.71 -3.67 4.92 3.00 0.26 -4.67 118.16 126.27 1yiy n LYS 184 Ca 0.20 0.09 -0.12 0.00 -0.00 0.00 0.00 58.31 58.48 1yiy n LYS 184 Cb 0.42 -1.49 -0.06 0.00 0.00 0.00 0.00 35.03 33.89 1yiy n LYS 184 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1yiy s MET 185 N -2.48 0.92 0.01 1.64 0.00 -1.13 -0.99 119.30 117.28 1yiy s MET 185 Ca -0.25 -0.41 0.05 0.00 0.00 0.00 0.00 55.69 55.08 1yiy s MET 185 Cb 0.07 0.41 -0.02 0.00 0.00 0.00 0.00 34.83 35.30 1yiy s MET 185 CO 0.64 -0.32 -0.15 -1.50 0.00 0.00 0.00 175.02 173.70 1yiy s ILE 186 N -2.60 1.15 -0.23 10.11 2.07 0.01 -1.03 121.20 130.68 1yiy s ILE 186 Ca -0.04 -0.82 -0.05 0.00 -1.41 0.00 0.00 60.65 58.33 1yiy s ILE 186 Cb -0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 1yiy s ILE 186 CO -0.03 0.17 -0.01 -0.63 -1.91 0.00 0.00 174.94 172.53 1yiy s ILE 187 N -0.59 3.69 0.05 2.00 1.01 -0.34 -0.96 121.20 126.05 1yiy s ILE 187 Ca 0.04 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.36 1yiy s ILE 187 Cb -0.07 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1yiy s ILE 187 CO 0.00 0.40 -0.13 0.27 0.00 0.00 0.00 174.94 175.48 1yiy s ILE 188 N 1.45 3.14 -0.26 2.92 -4.36 -0.14 -4.21 121.20 119.74 1yiy s ILE 188 Ca 0.05 -1.10 0.01 0.00 -0.26 0.00 0.00 60.65 59.35 1yiy s ILE 188 Cb -0.14 -2.37 0.07 0.00 1.25 0.00 0.00 42.46 41.26 1yiy s ILE 188 CO -0.01 0.30 -0.04 0.21 0.24 0.00 0.00 174.94 175.64 1yiy s ASN 189 N -1.62 4.07 -0.06 4.36 3.04 -1.26 -0.65 114.94 122.82 1yiy s ASN 189 Ca 0.17 -1.37 -0.02 0.00 0.04 0.00 0.00 52.86 51.68 1yiy s ASN 189 Cb -0.11 -1.26 0.04 0.00 -1.54 0.00 0.00 41.25 38.38 1yiy s ASN 189 CO 0.08 -0.26 0.11 -0.89 -3.04 0.00 0.00 177.10 173.09 1yiy s THR 190 N 1.31 -0.11 0.34 -5.21 2.01 -0.83 -3.21 115.64 109.94 1yiy s THR 190 Ca -0.03 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 1yiy s THR 190 Cb -0.19 -0.20 -0.11 0.00 0.01 0.00 0.00 72.50 72.01 1yiy s THR 190 CO -0.08 0.11 1.52 -2.84 -0.69 0.00 0.00 174.62 172.65 1yiy s PRO 191 N 1.56 4.12 0.09 4.92 0.02 -1.26 -4.29 135.00 140.16 1yiy s PRO 191 Ca -0.04 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.25 1yiy s PRO 191 Cb -0.12 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 1yiy s PRO 191 CO -0.05 -0.57 0.98 -1.58 -0.33 0.00 0.00 177.00 175.46 1yiy s HIS 192 N -0.70 3.76 -0.23 6.54 2.46 -0.29 -4.59 115.29 122.24 1yiy s HIS 192 Ca 0.57 1.75 -0.08 0.00 0.47 0.00 0.00 55.06 57.77 1yiy s HIS 192 Cb -0.47 -3.10 -0.04 0.00 -0.13 0.00 0.00 32.58 28.85 1yiy s HIS 192 CO 0.57 0.06 0.08 1.21 -2.47 0.00 0.00 174.74 174.19 1yiy s ASN 193 N 0.20 5.41 0.00 9.88 3.04 -1.26 0.74 114.94 132.95 1yiy s ASN 193 Ca 0.48 -0.08 0.21 0.00 0.04 0.00 0.00 52.86 53.51 1yiy s ASN 193 Cb -0.24 -1.96 0.30 0.00 -1.54 0.00 0.00 41.25 37.82 1yiy s ASN 193 CO 0.30 0.04 1.27 -0.81 -3.04 0.00 0.00 177.10 174.86 1yiy n PRO 194 N 4.44 2.20 0.04 0.43 -0.04 -1.26 -3.96 135.00 136.84 1yiy n PRO 194 Ca -0.16 -2.01 -0.13 0.00 -0.04 0.00 0.00 63.50 61.15 1yiy n PRO 194 Cb 0.52 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 1yiy n PRO 194 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1yiy h LEU 195 N 4.04 0.64 0.00 1.53 4.07 -1.87 -3.38 115.31 120.34 1yiy h LEU 195 Ca 0.00 -0.45 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1yiy h LEU 195 Cb 0.90 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1yiy h LEU 195 CO 0.00 1.22 0.00 0.61 -1.08 0.00 0.00 178.44 179.19 1yiy n GLY 196 N 0.72 0.73 3.72 0.83 0.00 0.23 -4.24 105.19 107.18 1yiy n GLY 196 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1yiy n GLY 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yiy s LYS 197 N -0.68 4.16 -0.30 1.61 2.20 -1.26 -0.58 119.74 124.90 1yiy s LYS 197 Ca 0.00 2.50 -0.08 0.00 -0.36 0.00 0.00 55.97 58.04 1yiy s LYS 197 Cb 0.00 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1yiy s LYS 197 CO 0.00 -0.67 0.10 0.54 -0.36 0.00 0.00 175.35 174.96 1yiy s VAL 198 N 0.94 4.11 0.04 4.02 0.11 -1.26 -1.13 120.40 127.23 1yiy s VAL 198 Ca 0.71 -0.66 -0.31 0.00 -2.93 0.00 0.00 61.98 58.79 1yiy s VAL 198 Cb -0.47 -3.13 -0.07 0.00 -1.53 0.00 0.00 36.38 31.18 1yiy s VAL 198 CO 0.34 0.06 1.55 -0.04 -3.33 0.00 0.00 175.10 173.68 1yiy s MET 199 N 1.52 4.23 1.02 1.54 1.00 -1.26 -4.97 119.30 122.38 1yiy s MET 199 Ca 0.03 2.19 -0.16 0.00 0.00 0.00 0.00 55.69 57.75 1yiy s MET 199 Cb -0.17 -3.58 0.21 0.00 0.00 0.00 0.00 34.83 31.28 1yiy s MET 199 CO 0.03 -0.67 1.20 0.16 0.00 0.00 0.00 175.02 175.74 1yiy s ASP 200 N 2.18 2.58 0.25 3.03 3.84 -1.26 -4.65 116.67 122.63 1yiy s ASP 200 Ca 0.70 0.59 -0.06 0.00 -0.00 0.00 0.00 52.55 53.78 1yiy s ASP 200 Cb -0.37 -0.85 0.26 0.00 -1.38 0.00 0.00 42.92 40.58 1yiy s ASP 200 CO 0.30 -3.09 1.92 -0.09 -0.00 0.00 0.00 175.17 174.20 1yiy h ARG 201 N -1.88 1.30 -0.74 2.11 2.43 -1.97 -1.99 114.38 113.64 1yiy h ARG 201 Ca -0.46 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 58.55 1yiy h ARG 201 Cb 1.28 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1yiy h ARG 201 CO 0.44 0.88 0.22 0.00 -1.51 0.00 0.00 179.97 180.00 1yiy h ALA 202 N 1.36 0.98 -0.10 2.80 0.00 -1.99 0.16 119.26 122.47 1yiy h ALA 202 Ca 0.35 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1yiy h ALA 202 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1yiy h ALA 202 CO -0.07 0.67 -0.41 0.93 0.00 0.00 0.00 179.25 180.37 1yiy h GLU 203 N 1.11 0.22 -0.33 0.00 5.08 -1.82 -2.24 114.58 116.61 1yiy h GLU 203 Ca 0.24 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 1yiy h GLU 203 Cb 0.33 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1yiy h GLU 203 CO -0.01 0.60 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.07 1yiy h LEU 204 N 0.19 0.98 -1.25 1.33 3.38 -0.71 -3.05 115.31 116.18 1yiy h LEU 204 Ca 0.02 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1yiy h LEU 204 Cb 0.81 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1yiy h LEU 204 CO 0.06 1.29 0.17 -0.33 0.09 0.00 0.00 178.44 179.72 1yiy h GLU 205 N 0.69 0.69 0.43 1.13 5.08 -0.57 0.16 114.58 122.19 1yiy h GLU 205 Ca 0.03 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1yiy h GLU 205 Cb 1.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1yiy h GLU 205 CO 0.11 0.59 -0.21 0.28 -1.00 0.00 0.00 179.01 178.78 1yiy h VAL 206 N 0.68 0.58 -0.05 3.13 2.07 -1.34 0.17 116.25 121.50 1yiy h VAL 206 Ca 0.16 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.50 1yiy h VAL 206 Cb 0.17 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1yiy h VAL 206 CO -0.01 0.01 -0.56 1.62 0.02 0.00 0.00 177.57 178.65 1yiy h VAL 207 N -0.61 1.38 -0.59 2.57 3.04 -1.41 -2.70 116.25 117.93 1yiy h VAL 207 Ca -0.06 -1.90 -0.03 0.00 -1.01 0.00 0.00 66.70 63.71 1yiy h VAL 207 Cb 0.46 1.97 -0.03 0.00 -2.01 0.00 0.00 31.29 31.68 1yiy h VAL 207 CO 0.10 0.55 0.27 0.00 -1.01 0.00 0.00 177.57 177.48 1yiy h ALA 208 N 1.31 0.76 -0.78 3.17 0.00 -0.41 -0.52 119.26 122.80 1yiy h ALA 208 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1yiy h ALA 208 Cb 1.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1yiy h ALA 208 CO 0.08 0.34 0.41 -0.91 0.00 0.00 0.00 179.25 179.18 1yiy h ASN 209 N 0.81 0.98 0.19 0.00 2.35 -0.58 -1.63 115.58 117.68 1yiy h ASN 209 Ca 0.20 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1yiy h ASN 209 Cb 0.15 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1yiy h ASN 209 CO -0.02 0.79 -0.53 -0.07 -1.65 0.00 0.00 177.43 175.95 1yiy h LEU 210 N 1.09 0.42 -0.66 1.61 3.38 -1.10 -0.99 115.31 119.06 1yiy h LEU 210 Ca 0.27 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1yiy h LEU 210 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1yiy h LEU 210 CO -0.04 0.87 0.06 0.00 0.09 0.00 0.00 178.44 179.42 1yiy h LYS 212 N 1.02 0.80 -0.25 0.00 1.57 -1.14 -0.18 116.57 118.39 1yiy h LYS 212 Ca 0.19 -0.38 -0.18 0.00 -1.87 0.00 0.00 60.65 58.41 1yiy h LYS 212 Cb 0.50 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1yiy h LYS 212 CO 0.02 1.01 -0.54 0.87 -0.57 0.00 0.00 179.45 180.24 1yiy h LYS 213 N 0.67 0.81 -0.43 3.15 1.79 -1.03 -3.30 116.57 118.23 1yiy h LYS 213 Ca 0.07 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1yiy h LYS 213 Cb 0.87 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1yiy h LYS 213 CO 0.08 1.16 0.00 0.91 -1.08 0.00 0.00 179.45 180.52 1yiy n TRP 214 N -4.06 0.56 -3.75 -1.35 7.02 -0.36 -4.97 117.44 110.54 1yiy n TRP 214 Ca -0.05 -0.28 -0.25 0.00 -1.02 0.00 0.00 57.50 55.90 1yiy n TRP 214 Cb 0.62 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.53 1yiy n TRP 214 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1yiy n ASN 215 N 1.54 -2.22 -4.66 -0.99 5.15 -0.18 -4.95 115.26 108.94 1yiy n ASN 215 Ca 0.20 -0.92 -0.26 0.00 -0.60 0.00 0.00 54.58 53.00 1yiy n ASN 215 Cb 0.62 -3.64 -0.08 0.00 -0.53 0.00 0.00 39.78 36.15 1yiy n ASN 215 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1yiy s VAL 216 N -3.69 3.68 -0.15 3.44 -7.23 -0.61 -4.93 120.40 110.92 1yiy s VAL 216 Ca 0.14 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 1yiy s VAL 216 Cb -0.05 -2.87 -0.00 0.00 0.56 0.00 0.00 36.38 34.02 1yiy s VAL 216 CO 0.84 -0.15 1.03 -0.22 -0.31 0.00 0.00 175.10 176.29 1yiy s LEU 217 N -3.06 4.20 -0.21 1.32 0.20 -0.16 -4.75 118.68 116.22 1yiy s LEU 217 Ca 0.28 1.49 -0.15 0.00 0.69 0.00 0.00 54.13 56.44 1yiy s LEU 217 Cb -0.09 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 1yiy s LEU 217 CO 0.19 -0.53 0.34 0.00 -0.29 0.00 0.00 176.35 176.05 1yiy s VAL 219 N 1.23 4.53 -0.32 0.00 1.01 -0.14 -1.10 120.40 125.61 1yiy s VAL 219 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1yiy s VAL 219 Cb -0.14 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.12 1yiy s VAL 219 CO 0.07 0.28 0.06 -0.55 0.00 0.00 0.00 175.10 174.95 1yiy s SER 220 N 1.64 5.11 -0.67 3.32 0.15 0.14 -0.97 113.70 122.41 1yiy s SER 220 Ca 0.06 -1.16 -0.25 0.00 0.70 0.00 0.00 55.95 55.30 1yiy s SER 220 Cb -0.16 -1.80 0.05 0.00 -1.71 0.00 0.00 66.02 62.40 1yiy s SER 220 CO 0.05 -0.29 1.12 -0.62 1.20 0.00 0.00 173.24 174.70 1yiy s ASP 221 N 1.35 6.21 -0.41 5.45 -1.08 0.18 -0.63 116.67 127.73 1yiy s ASP 221 Ca -0.03 -0.58 0.07 0.00 -0.52 0.00 0.00 52.55 51.49 1yiy s ASP 221 Cb -0.19 -2.49 0.43 0.00 -1.46 0.00 0.00 42.92 39.20 1yiy s ASP 221 CO 0.01 -1.59 1.09 -1.84 0.52 0.00 0.00 175.17 173.36 1yiy n GLU 222 N 8.46 3.08 0.28 4.34 0.28 -0.53 -1.96 120.64 134.60 1yiy n GLU 222 Ca 0.01 -4.30 0.15 0.00 -0.16 0.00 0.00 57.16 52.87 1yiy n GLU 222 Cb 0.48 -2.10 0.84 0.00 1.43 0.00 0.00 31.44 32.09 1yiy n GLU 222 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1yiy h VAL 223 N 2.65 0.40 -0.55 3.84 -1.51 -1.84 -2.04 116.25 117.21 1yiy h VAL 223 Ca 0.24 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1yiy h VAL 223 Cb 1.00 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1yiy h VAL 223 CO 0.79 0.07 0.00 -1.22 -1.23 0.00 0.00 177.57 175.97 1yiy n TYR 224 N -3.52 1.93 -0.19 5.19 4.01 -1.26 -4.45 117.16 118.88 1yiy n TYR 224 Ca -0.02 -0.67 0.30 0.00 -0.16 0.00 0.00 57.90 57.34 1yiy n TYR 224 Cb 0.19 -0.47 0.72 0.00 -0.31 0.00 0.00 39.34 39.47 1yiy n TYR 224 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1yiy h GLU 225 N 3.78 0.00 -0.03 -0.72 4.11 -1.63 -0.60 114.58 119.50 1yiy h GLU 225 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1yiy h GLU 225 Cb 1.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1yiy h GLU 225 CO 0.45 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.25 1yiy n HIS 226 N -4.05 0.01 -1.59 2.06 8.25 -1.26 -4.48 115.22 114.16 1yiy n HIS 226 Ca 0.19 -0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.35 1yiy n HIS 226 Cb 1.05 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.22 1yiy n HIS 226 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1yiy n MET 227 N 1.02 3.01 -3.18 -0.41 2.81 -0.23 -4.40 117.12 115.73 1yiy n MET 227 Ca 0.15 -3.61 -0.39 0.00 -1.81 0.00 0.00 57.70 52.05 1yiy n MET 227 Cb 0.53 -2.27 -0.06 0.00 -0.71 0.00 0.00 33.22 30.71 1yiy n MET 227 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1yiy s VAL 228 N -4.69 4.85 0.12 2.03 1.01 -1.26 -0.93 120.40 121.54 1yiy s VAL 228 Ca 0.59 1.29 -0.16 0.00 0.00 0.00 0.00 61.98 63.71 1yiy s VAL 228 Cb 0.47 -3.95 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1yiy s VAL 228 CO 0.01 0.43 0.56 -0.36 0.00 0.00 0.00 175.10 175.74 1yiy s PHE 229 N -0.31 3.68 0.64 5.22 0.40 0.50 -4.85 117.98 123.25 1yiy s PHE 229 Ca 0.32 1.14 -0.18 0.00 -0.60 0.00 0.00 56.93 57.61 1yiy s PHE 229 Cb -0.19 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.89 1yiy s PHE 229 CO 0.18 0.48 1.01 0.39 0.70 0.00 0.00 175.22 177.99 1yiy n GLU 230 N 1.12 0.82 -0.12 0.44 -0.58 -1.26 -1.57 120.64 119.49 1yiy n GLU 230 Ca -0.07 0.33 0.05 0.00 -0.42 0.00 0.00 57.16 57.05 1yiy n GLU 230 Cb 0.51 -2.24 0.17 0.00 -0.57 0.00 0.00 31.44 29.32 1yiy n GLU 230 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1yiy n PRO 231 N -1.37 1.59 -1.44 3.49 -0.04 -1.26 -5.09 135.00 130.89 1yiy n PRO 231 Ca 0.14 -0.91 -0.29 0.00 -0.04 0.00 0.00 63.50 62.40 1yiy n PRO 231 Cb 0.48 -1.23 0.15 0.00 -0.04 0.00 0.00 33.50 32.86 1yiy n PRO 231 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1yiy s PHE 232 N -1.68 2.40 -0.07 0.54 0.40 -0.61 -5.11 117.98 113.84 1yiy s PHE 232 Ca 0.20 0.88 -0.16 0.00 -0.60 0.00 0.00 56.93 57.25 1yiy s PHE 232 Cb 0.10 -3.36 0.03 0.00 0.51 0.00 0.00 43.02 40.31 1yiy s PHE 232 CO 0.14 -2.52 0.38 -1.83 0.70 0.00 0.00 175.22 172.09 1yiy s GLU 233 N -5.20 0.62 -0.09 0.44 -1.05 -1.26 -4.67 118.70 107.50 1yiy s GLU 233 Ca 0.64 0.16 -0.30 0.00 -0.15 0.00 0.00 54.97 55.32 1yiy s GLU 233 Cb -0.16 0.29 -0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1yiy s GLU 233 CO 0.54 -0.15 1.04 -1.58 0.95 0.00 0.00 175.26 176.07 1yiy s HIS 234 N -0.69 3.46 -0.14 4.83 5.65 -1.26 -4.94 115.29 122.20 1yiy s HIS 234 Ca -0.08 1.53 0.00 0.00 0.25 0.00 0.00 55.06 56.76 1yiy s HIS 234 Cb -0.04 -3.23 -0.01 0.00 -1.18 0.00 0.00 32.58 28.12 1yiy s HIS 234 CO 0.03 -0.43 -0.14 0.42 -0.65 0.00 0.00 174.74 173.98 1yiy s ILE 235 N 1.96 2.87 -0.30 0.89 1.01 -1.26 -5.09 121.20 121.28 1yiy s ILE 235 Ca 0.50 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 60.19 1yiy s ILE 235 Cb -0.20 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1yiy s ILE 235 CO 0.20 0.52 0.84 -0.13 0.00 0.00 0.00 174.94 176.36 1yiy s ARG 236 N 0.60 4.01 0.60 2.79 0.52 -1.26 -4.94 118.95 121.27 1yiy s ARG 236 Ca -0.08 0.71 0.34 0.00 -0.52 0.00 0.00 55.73 56.18 1yiy s ARG 236 Cb -0.16 -3.72 1.95 0.00 0.52 0.00 0.00 34.95 33.55 1yiy s ARG 236 CO 0.03 -0.69 2.26 0.97 0.02 0.00 0.00 175.30 177.89 1yiy h ILE 237 N 5.59 0.37 0.00 1.52 2.10 -1.98 -1.64 117.51 123.47 1yiy h ILE 237 Ca -0.23 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1yiy h ILE 237 Cb 1.09 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 1yiy h ILE 237 CO 0.91 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.99 1yiy n THR 239 N -1.48 0.00 -2.14 0.00 -2.24 -0.62 -2.97 114.28 104.83 1yiy n THR 239 Ca 0.03 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 1yiy n THR 239 Cb 0.14 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1yiy n THR 239 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1yiy s LEU 240 N -2.63 3.68 0.00 3.22 1.43 -0.61 -4.91 118.68 118.85 1yiy s LEU 240 Ca 0.18 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 1yiy s LEU 240 Cb 0.18 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.82 1yiy s LEU 240 CO 0.62 -1.35 0.06 -2.65 0.23 0.00 0.00 176.35 173.26 1yiy n PRO 241 N -1.53 0.00 -1.67 1.29 -0.02 -1.26 -0.89 135.00 130.92 1yiy n PRO 241 Ca 0.12 0.06 -0.22 0.00 -2.02 0.00 0.00 63.50 61.43 1yiy n PRO 241 Cb 0.51 -0.09 0.06 0.00 -0.02 0.00 0.00 33.50 33.96 1yiy n PRO 241 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yiy n GLY 242 N -0.80 6.07 0.09 -1.23 0.00 -1.26 -4.71 105.19 103.34 1yiy n GLY 242 Ca 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 46.02 43.63 1yiy n GLY 242 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yiy n MET 243 N -0.82 0.64 -0.33 1.61 2.81 -0.06 -4.26 117.12 116.70 1yiy n MET 243 Ca 0.45 0.17 0.09 0.00 -1.81 0.00 0.00 57.70 56.59 1yiy n MET 243 Cb 0.90 -1.73 0.28 0.00 -0.71 0.00 0.00 33.22 31.96 1yiy n MET 243 CO 0.00 0.00 0.00 2.35 1.51 0.00 0.00 175.97 179.83 1yiy h TRP 244 N 0.00 1.05 0.00 2.03 2.91 -1.70 0.56 115.95 120.80 1yiy h TRP 244 Ca -0.24 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1yiy h TRP 244 Cb 1.74 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 30.06 1yiy h TRP 244 CO 0.00 0.41 0.00 1.05 -1.03 0.00 0.00 178.44 178.87 1yiy h GLU 245 N 0.90 0.00 0.00 2.65 4.11 -1.91 -3.22 114.58 117.12 1yiy h GLU 245 Ca 0.48 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.85 1yiy h GLU 245 Cb 0.56 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.67 1yiy h GLU 245 CO -0.25 0.00 -0.69 2.89 0.07 0.00 0.00 179.01 181.03 1yiy n ARG 246 N -2.60 1.03 -4.32 1.06 1.85 0.13 -4.89 116.66 108.92 1yiy n ARG 246 Ca 0.01 -2.85 -0.18 0.00 -1.00 0.00 0.00 57.85 53.84 1yiy n ARG 246 Cb 0.26 -1.05 -0.14 0.00 -1.05 0.00 0.00 32.46 30.48 1yiy n ARG 246 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1yiy s THR 247 N -2.09 0.77 -0.14 8.89 -1.32 -0.83 -1.13 115.64 119.78 1yiy s THR 247 Ca 0.37 -0.61 0.02 0.00 -1.21 0.00 0.00 61.69 60.26 1yiy s THR 247 Cb 0.38 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 1yiy s THR 247 CO -0.11 0.08 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.56 1yiy s ILE 248 N -0.50 2.32 -0.08 5.08 -1.09 -0.26 -4.39 121.20 122.28 1yiy s ILE 248 Ca 0.01 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 1yiy s ILE 248 Cb -0.05 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.86 1yiy s ILE 248 CO 0.00 0.54 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.19 1yiy s THR 249 N 0.78 2.80 -0.02 2.92 2.01 -0.53 0.23 115.64 123.83 1yiy s THR 249 Ca -0.07 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.21 1yiy s THR 249 Cb -0.16 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 1yiy s THR 249 CO -0.00 0.56 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.62 1yiy s ILE 250 N -0.22 2.27 0.37 1.82 -1.09 0.20 -1.09 121.20 123.46 1yiy s ILE 250 Ca -0.00 -1.04 0.05 0.00 -2.23 0.00 0.00 60.65 57.43 1yiy s ILE 250 Cb -0.13 -1.81 -0.03 0.00 -1.58 0.00 0.00 42.46 38.91 1yiy s ILE 250 CO 0.03 0.57 0.19 -0.83 -1.23 0.00 0.00 174.94 173.67 1yiy s GLY 251 N -0.66 2.44 -0.17 6.18 0.00 -0.49 -1.45 107.32 113.17 1yiy s GLY 251 Ca 0.10 -1.59 -0.10 0.00 0.00 0.00 0.00 44.72 43.14 1yiy s GLY 251 CO -0.01 -1.67 0.41 -0.45 0.00 0.00 0.00 173.10 171.38 1yiy s SER 252 N -3.49 -0.50 0.28 1.64 0.15 -1.26 -2.00 113.70 108.52 1yiy s SER 252 Ca 0.31 0.88 0.11 0.00 0.70 0.00 0.00 55.95 57.95 1yiy s SER 252 Cb 0.03 0.77 0.37 0.00 -1.71 0.00 0.00 66.02 65.47 1yiy s SER 252 CO 0.20 -0.19 1.61 0.00 1.20 0.00 0.00 173.24 176.06 1yiy h ALA 253 N 6.97 0.96 -0.39 5.45 0.00 -0.60 0.55 119.26 132.21 1yiy h ALA 253 Ca -0.36 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 1yiy h ALA 253 Cb 1.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1yiy h ALA 253 CO 0.29 0.76 0.22 0.78 0.00 0.00 0.00 179.25 181.30 1yiy h GLY 254 N 1.91 0.57 0.49 0.00 0.00 -1.71 -0.41 103.07 103.92 1yiy h GLY 254 Ca -0.01 -0.24 -0.36 0.00 0.00 0.00 0.00 47.33 46.73 1yiy h GLY 254 CO 0.08 0.23 -2.09 0.28 0.00 0.00 0.00 176.54 175.04 1yiy n LYS 255 N -4.44 0.71 -0.29 4.80 4.76 -1.06 -1.00 118.16 121.64 1yiy n LYS 255 Ca 0.03 0.22 -0.05 0.00 -2.87 0.00 0.00 58.31 55.64 1yiy n LYS 255 Cb 0.10 -1.67 0.07 0.00 -1.84 0.00 0.00 35.03 31.69 1yiy n LYS 255 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1yiy h THR 256 N 0.04 1.24 -0.26 -0.18 2.02 -0.75 -3.20 112.91 111.83 1yiy h THR 256 Ca -0.45 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1yiy h THR 256 Cb 2.02 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1yiy h THR 256 CO 0.04 0.28 0.00 0.49 0.37 0.00 0.00 175.52 176.70 1yiy n PHE 257 N -4.39 0.50 -3.76 3.16 3.72 -0.18 -4.84 117.46 111.67 1yiy n PHE 257 Ca 0.08 -0.62 -0.24 0.00 -0.05 0.00 0.00 57.45 56.62 1yiy n PHE 257 Cb 0.11 -0.11 0.03 0.00 -0.94 0.00 0.00 39.48 38.58 1yiy n PHE 257 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1yiy n SER 258 N 0.03 -2.46 -3.26 4.37 7.64 -0.99 -4.39 113.62 114.56 1yiy n SER 258 Ca 0.13 -0.79 -0.25 0.00 1.01 0.00 0.00 58.87 58.96 1yiy n SER 258 Cb 0.53 -4.06 -0.07 0.00 -1.01 0.00 0.00 64.21 59.59 1yiy n SER 258 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yiy n LEU 259 N -4.42 1.57 0.31 -3.43 4.77 -0.17 -4.55 117.00 111.08 1yiy n LEU 259 Ca -0.19 -4.99 0.17 0.00 -0.03 0.00 0.00 56.01 50.97 1yiy n LEU 259 Cb 0.63 0.15 0.99 0.00 -2.33 0.00 0.00 43.42 42.86 1yiy n LEU 259 CO 0.70 2.08 1.12 0.71 -1.33 0.00 0.00 177.39 180.68 1yiy h THR 260 N 2.39 0.34 0.00 -5.08 1.35 -1.88 -1.55 112.91 108.48 1yiy h THR 260 Ca 0.12 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1yiy h THR 260 Cb 0.80 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1yiy h THR 260 CO 0.60 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1yiy n GLY 261 N -1.10 -1.30 0.08 5.82 0.00 -1.26 -3.23 105.19 104.20 1yiy n GLY 261 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 1yiy n GLY 261 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1yiy h TRP 262 N 0.00 0.00 -6.04 1.61 4.06 -1.69 -3.49 115.95 110.40 1yiy h TRP 262 Ca 0.00 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.59 1yiy h TRP 262 Cb 0.41 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 28.66 1yiy h TRP 262 CO 0.00 0.86 -0.83 1.63 -3.56 0.00 0.00 178.44 176.54 1yiy n LYS 263 N -3.13 -1.41 -3.80 0.49 5.02 -1.20 -4.90 118.16 109.22 1yiy n LYS 263 Ca -0.08 0.68 -0.23 0.00 -2.02 0.00 0.00 58.31 56.66 1yiy n LYS 263 Cb 0.94 -4.43 -0.17 0.00 -0.02 0.00 0.00 35.03 31.34 1yiy n LYS 263 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1yiy s ILE 264 N -3.35 0.38 0.00 -0.18 -1.09 -1.26 -2.18 121.20 113.52 1yiy s ILE 264 Ca 0.38 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1yiy s ILE 264 Cb -0.12 -0.52 0.00 0.00 -1.58 0.00 0.00 42.46 40.24 1yiy s ILE 264 CO 0.83 0.25 0.00 0.61 -1.23 0.00 0.00 174.94 175.41 1yiy n GLY 265 N 5.04 4.24 3.44 6.18 0.00 0.39 0.21 105.19 124.70 1yiy n GLY 265 Ca -0.09 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1yiy n GLY 265 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1yiy s TRP 266 N -1.41 -0.54 -0.01 1.61 -2.14 -0.84 -1.12 118.94 114.48 1yiy s TRP 266 Ca 0.00 0.51 0.07 0.00 2.66 0.00 0.00 56.10 59.34 1yiy s TRP 266 Cb 0.00 0.49 -0.02 0.00 -3.10 0.00 0.00 33.47 30.84 1yiy s TRP 266 CO 0.00 -0.77 -0.21 0.00 -2.66 0.00 0.00 176.95 173.31 1yiy s ALA 267 N -3.03 1.74 0.04 2.67 0.00 -0.36 -1.40 121.76 121.44 1yiy s ALA 267 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1yiy s ALA 267 Cb -0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1yiy s ALA 267 CO -0.06 0.42 -0.07 1.52 0.00 0.00 0.00 175.76 177.57 1yiy s TYR 268 N -0.51 0.62 -4.58 0.00 -0.85 -0.25 -0.82 117.35 110.97 1yiy s TYR 268 Ca 0.08 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 56.08 1yiy s TYR 268 Cb -0.08 -0.38 0.00 0.00 0.38 0.00 0.00 41.96 41.88 1yiy s TYR 268 CO -0.01 -0.11 0.00 0.41 -1.52 0.00 0.00 175.55 174.32 1yiy n GLY 269 N 1.33 -1.85 3.77 5.49 0.00 -0.89 -1.46 105.19 111.58 1yiy n GLY 269 Ca -0.22 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 1yiy n GLY 269 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yiy s PRO 270 N -1.89 3.84 0.35 1.61 0.04 -1.26 -4.48 135.00 133.21 1yiy s PRO 270 Ca 0.00 2.46 0.11 0.00 0.04 0.00 0.00 61.00 63.61 1yiy s PRO 270 Cb 0.00 -2.76 0.90 0.00 0.04 0.00 0.00 34.50 32.67 1yiy s PRO 270 CO 0.00 -0.71 1.80 0.93 0.04 0.00 0.00 177.00 179.06 1yiy h GLU 271 N 2.56 0.59 -0.41 4.56 5.08 -1.92 -0.73 114.58 124.30 1yiy h GLU 271 Ca -0.51 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.77 1yiy h GLU 271 Cb 1.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1yiy h GLU 271 CO 0.62 0.39 0.08 0.00 -1.00 0.00 0.00 179.01 179.10 1yiy h ALA 272 N 1.63 1.37 0.00 3.43 0.00 -1.90 -1.73 119.26 122.07 1yiy h ALA 272 Ca 0.55 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 55.07 1yiy h ALA 272 Cb 1.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1yiy h ALA 272 CO -0.31 0.45 -1.16 -0.07 0.00 0.00 0.00 179.25 178.16 1yiy h LEU 273 N 0.60 0.00 -0.55 0.00 4.07 -1.56 -3.35 115.31 114.53 1yiy h LEU 273 Ca 0.14 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.98 1yiy h LEU 273 Cb 0.27 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1yiy h LEU 273 CO 0.00 0.92 -0.56 -0.07 -1.08 0.00 0.00 178.44 177.65 1yiy h LEU 274 N 0.00 0.00 -0.94 1.67 -0.00 -0.76 -3.25 115.31 112.03 1yiy h LEU 274 Ca -0.09 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.85 1yiy h LEU 274 Cb 1.78 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 42.38 1yiy h LEU 274 CO 0.10 0.56 0.60 0.11 -0.00 0.00 0.00 178.44 179.81 1yiy h LYS 275 N 0.00 1.06 -0.77 1.13 1.57 -1.46 -1.36 116.57 116.74 1yiy h LYS 275 Ca -0.01 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1yiy h LYS 275 Cb 1.19 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 1yiy h LYS 275 CO 0.07 0.70 0.49 -0.91 -0.57 0.00 0.00 179.45 179.24 1yiy h ASN 276 N 1.10 0.82 -0.44 0.86 4.21 -1.78 -2.11 115.58 118.24 1yiy h ASN 276 Ca 0.40 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.87 1yiy h ASN 276 Cb 0.14 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 1yiy h ASN 276 CO -0.17 0.57 0.14 -0.07 -1.29 0.00 0.00 177.43 176.61 1yiy h LEU 277 N 0.97 0.64 -0.70 1.61 4.07 -1.50 -2.35 115.31 118.05 1yiy h LEU 277 Ca 0.31 -0.20 0.09 0.00 0.08 0.00 0.00 57.88 58.15 1yiy h LEU 277 Cb -0.00 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 41.50 1yiy h LEU 277 CO -0.11 0.67 0.35 1.56 -1.08 0.00 0.00 178.44 179.83 1yiy h GLN 278 N 0.57 0.58 -0.24 1.13 4.20 -0.83 -0.29 115.11 120.22 1yiy h GLN 278 Ca 0.14 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 1yiy h GLN 278 Cb 0.26 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1yiy h GLN 278 CO -0.00 0.38 -0.33 0.52 -0.67 0.00 0.00 178.83 178.72 1yiy h MET 279 N 0.59 0.52 -0.11 1.46 2.86 -1.08 0.36 114.93 119.54 1yiy h MET 279 Ca 0.34 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1yiy h MET 279 Cb 0.36 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1yiy h MET 279 CO -0.27 0.79 -0.13 0.28 1.06 0.00 0.00 176.91 178.64 1yiy h VAL 280 N 0.44 1.37 -0.22 -2.22 2.07 -0.83 -3.15 116.25 113.71 1yiy h VAL 280 Ca 0.05 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.26 1yiy h VAL 280 Cb 0.80 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1yiy h VAL 280 CO 0.06 0.38 0.13 -0.74 0.02 0.00 0.00 177.57 177.42 1yiy h HIS 281 N -0.12 0.24 -0.87 1.57 6.17 -0.97 -2.36 115.15 118.81 1yiy h HIS 281 Ca 0.02 0.01 0.20 0.00 0.71 0.00 0.00 60.37 61.30 1yiy h HIS 281 Cb 0.67 -0.08 -0.06 0.00 2.52 0.00 0.00 27.41 30.46 1yiy h HIS 281 CO 0.09 0.15 0.58 0.37 0.71 0.00 0.00 177.93 179.83 1yiy h GLN 282 N 0.27 0.37 -0.33 5.26 4.15 -0.97 -1.25 115.11 122.61 1yiy h GLN 282 Ca 0.08 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 1yiy h GLN 282 Cb -0.01 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.53 1yiy h GLN 282 CO -0.04 0.24 -0.01 0.09 -1.93 0.00 0.00 178.83 177.19 1yiy n ASN 283 N -4.49 3.19 0.00 -0.69 3.02 -0.93 -3.63 115.26 111.73 1yiy n ASN 283 Ca 0.18 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1yiy n ASN 283 Cb 0.68 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1yiy n ASN 283 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yiy n VAL 285 N -2.86 0.00 0.00 0.00 0.31 -0.69 -5.05 118.33 110.03 1yiy n VAL 285 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1yiy n VAL 285 Cb 0.36 0.98 0.00 0.00 -0.91 0.00 0.00 33.84 34.27 1yiy n VAL 285 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yiy n TYR 286 N -0.17 0.00 -3.88 3.52 9.36 -0.85 -4.77 117.16 120.37 1yiy n TYR 286 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1yiy n TYR 286 Cb 0.00 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.64 1yiy n TYR 286 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1yiy s THR 287 N 0.00 0.10 0.28 2.97 2.01 -1.26 -4.39 115.64 115.35 1yiy s THR 287 Ca 0.00 -1.20 0.10 0.00 0.31 0.00 0.00 61.69 60.90 1yiy s THR 287 Cb 0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1yiy s THR 287 CO 0.00 -0.45 0.00 0.00 -0.69 0.00 0.00 174.62 173.49 1yiy n ALA 289 N -0.91 0.76 0.01 0.00 0.00 -1.26 -4.75 120.51 114.35 1yiy n ALA 289 Ca -0.06 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 1yiy n ALA 289 Cb 0.59 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 1yiy n ALA 289 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1yiy h THR 290 N 3.66 1.28 0.00 0.00 2.02 -1.86 -2.78 112.91 115.24 1yiy h THR 290 Ca -0.46 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.48 1yiy h THR 290 Cb 1.27 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1yiy h THR 290 CO 0.87 0.29 -0.28 1.55 0.37 0.00 0.00 175.52 178.32 1yiy h PRO 291 N -0.60 0.00 -0.21 6.66 0.13 -1.91 -1.00 132.00 135.07 1yiy h PRO 291 Ca -0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.95 1yiy h PRO 291 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1yiy h PRO 291 CO 0.01 0.28 -0.55 0.82 -0.23 0.00 0.00 178.00 178.33 1yiy h ILE 292 N 0.00 1.30 -0.73 -3.56 2.04 -1.92 -1.78 117.51 112.86 1yiy h ILE 292 Ca -0.00 -1.77 -0.04 0.00 1.00 0.00 0.00 64.86 64.06 1yiy h ILE 292 Cb 0.59 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1yiy h ILE 292 CO 0.04 0.56 0.31 1.56 0.00 0.00 0.00 178.15 180.61 1yiy h GLN 293 N 0.45 1.06 -0.57 2.37 4.20 -1.16 -1.03 115.11 120.44 1yiy h GLN 293 Ca -0.01 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1yiy h GLN 293 Cb 1.17 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 1yiy h GLN 293 CO 0.12 0.84 0.28 1.49 -0.67 0.00 0.00 178.83 180.90 1yiy h GLU 294 N 1.04 0.81 -0.59 1.46 4.57 -1.17 -0.72 114.58 119.98 1yiy h GLU 294 Ca 0.25 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.23 1yiy h GLU 294 Cb 0.17 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1yiy h GLU 294 CO -0.03 0.65 0.03 0.00 -1.18 0.00 0.00 179.01 178.49 1yiy h ALA 295 N 1.12 0.80 -0.42 2.92 0.00 -0.78 -0.89 119.26 122.00 1yiy h ALA 295 Ca 0.20 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1yiy h ALA 295 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1yiy h ALA 295 CO -0.03 0.61 -0.07 0.82 0.00 0.00 0.00 179.25 180.58 1yiy h ILE 296 N 0.93 1.25 -0.83 0.00 2.04 -1.13 -0.32 117.51 119.44 1yiy h ILE 296 Ca 0.17 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1yiy h ILE 296 Cb 0.52 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1yiy h ILE 296 CO 0.02 0.37 0.43 0.00 0.00 0.00 0.00 178.15 178.97 1yiy h ALA 297 N 1.25 1.07 -0.03 1.87 0.00 -0.63 -0.48 119.26 122.31 1yiy h ALA 297 Ca 0.12 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1yiy h ALA 297 Cb 0.52 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1yiy h ALA 297 CO 0.03 0.61 -0.49 0.28 0.00 0.00 0.00 179.25 179.68 1yiy h VAL 298 N 1.17 1.35 -0.21 0.00 2.07 -0.68 -1.15 116.25 118.80 1yiy h VAL 298 Ca 0.29 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1yiy h VAL 298 Cb 0.08 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1yiy h VAL 298 CO -0.04 0.49 0.11 1.23 0.02 0.00 0.00 177.57 179.37 1yiy h GLY 299 N 1.42 0.32 0.97 2.17 0.00 -0.31 -1.10 103.07 106.54 1yiy h GLY 299 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1yiy h GLY 299 CO 0.07 0.14 0.25 0.74 0.00 0.00 0.00 176.54 177.74 1yiy h PHE 300 N 0.21 0.70 -0.52 5.60 0.04 -0.86 -1.43 116.94 120.68 1yiy h PHE 300 Ca 0.07 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1yiy h PHE 300 Cb 0.10 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 1yiy h PHE 300 CO -0.03 0.55 0.26 0.93 -0.60 0.00 0.00 178.31 179.42 1yiy h GLU 301 N 0.66 0.72 -0.01 1.51 5.08 -1.13 0.16 114.58 121.57 1yiy h GLU 301 Ca 0.17 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1yiy h GLU 301 Cb 0.10 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1yiy h GLU 301 CO -0.02 0.55 0.01 1.15 -1.00 0.00 0.00 179.01 179.70 1yiy h THR 302 N 0.73 1.11 -0.10 1.13 2.02 -0.72 -3.23 112.91 113.84 1yiy h THR 302 Ca 0.18 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.92 1yiy h THR 302 Cb 0.06 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1yiy h THR 302 CO -0.03 0.08 -0.52 -0.33 0.37 0.00 0.00 175.52 175.10 1yiy h GLU 303 N -0.11 0.29 -0.02 6.66 4.39 -0.66 -2.97 114.58 122.15 1yiy h GLU 303 Ca 0.00 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.54 1yiy h GLU 303 Cb 0.13 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1yiy h GLU 303 CO -0.00 0.74 0.05 -0.07 -1.16 0.00 0.00 179.01 178.56 1yiy h LEU 304 N 0.22 0.00 0.00 1.33 3.38 -0.73 -0.15 115.31 119.36 1yiy h LEU 304 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1yiy h LEU 304 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1yiy h LEU 304 CO 0.08 0.00 -0.57 0.11 0.09 0.00 0.00 178.44 178.16 1yiy h LYS 305 N 0.00 0.00 -0.63 1.13 1.57 -1.54 -3.37 116.57 113.72 1yiy h LYS 305 Ca 0.01 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.35 1yiy h LYS 305 Cb 0.11 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.00 1yiy h LYS 305 CO -0.00 0.15 -0.91 2.89 -0.57 0.00 0.00 179.45 181.01 1yiy n ARG 306 N -2.99 2.96 -0.31 3.15 -4.01 -0.12 -4.90 116.66 110.44 1yiy n ARG 306 Ca 0.01 -3.93 0.30 0.00 -1.04 0.00 0.00 57.85 53.18 1yiy n ARG 306 Cb 0.62 -2.04 0.65 0.00 -3.04 0.00 0.00 32.46 28.65 1yiy n ARG 306 CO 0.00 0.00 0.00 -0.07 -3.04 0.00 0.00 177.63 174.52 1yiy h LEU 307 N 2.29 0.19 -2.05 2.89 3.38 -1.59 -1.01 115.31 119.41 1yiy h LEU 307 Ca 0.20 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yiy h LEU 307 Cb 1.45 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1yiy h LEU 307 CO 0.56 0.03 0.00 2.29 0.09 0.00 0.00 178.44 181.41 1yiy n LYS 308 N -4.38 1.80 -3.01 1.13 -0.00 -1.26 -4.91 118.16 107.53 1yiy n LYS 308 Ca 0.25 -1.76 -0.34 0.00 -0.00 0.00 0.00 58.31 56.46 1yiy n LYS 308 Cb 1.08 -1.34 -0.06 0.00 -0.00 0.00 0.00 35.03 34.71 1yiy n LYS 308 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yiy s SER 309 N -1.22 6.95 0.14 -5.58 0.15 -0.38 -4.94 113.70 108.81 1yiy s SER 309 Ca 0.24 1.47 0.20 0.00 0.70 0.00 0.00 55.95 58.57 1yiy s SER 309 Cb 0.15 -2.45 0.84 0.00 -1.71 0.00 0.00 66.02 62.85 1yiy s SER 309 CO 0.21 -0.17 1.63 -0.81 1.20 0.00 0.00 173.24 175.30 1yiy n PRO 310 N -0.05 0.11 0.18 5.44 -0.04 -1.26 -1.77 135.00 137.61 1yiy n PRO 310 Ca 0.03 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 1yiy n PRO 310 Cb 0.52 -1.71 0.16 0.00 -0.04 0.00 0.00 33.50 32.44 1yiy n PRO 310 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1yiy h GLU 311 N 0.00 0.00 -6.21 0.54 4.39 -1.92 -3.38 114.58 108.00 1yiy h GLU 311 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 1yiy h GLU 311 Cb 0.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1yiy h GLU 311 CO 0.00 0.00 1.07 0.00 -1.16 0.00 0.00 179.01 178.92 1yiy h TYR 313 N 8.87 0.03 0.00 0.00 -0.00 -1.89 0.52 116.97 124.50 1yiy h TYR 313 Ca -0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.26 1yiy h TYR 313 Cb 1.29 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.73 38.01 1yiy h TYR 313 CO 0.85 0.02 -0.01 0.74 -0.00 0.00 0.00 178.16 179.76 1yiy h PHE 314 N 0.03 0.00 0.00 -3.82 0.05 -1.89 -2.64 116.94 108.67 1yiy h PHE 314 Ca 0.08 0.00 -0.28 0.00 3.82 0.00 0.00 57.97 61.59 1yiy h PHE 314 Cb 0.27 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.17 1yiy h PHE 314 CO -0.00 0.01 -2.05 0.09 -0.18 0.00 0.00 178.31 176.18 1yiy n ASN 315 N -3.22 1.44 0.08 2.17 3.02 0.16 -4.60 115.26 114.31 1yiy n ASN 315 Ca -0.02 -0.02 0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1yiy n ASN 315 Cb 0.14 0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 39.97 1yiy n ASN 315 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1yiy h SER 316 N 0.00 0.00 -0.93 6.41 4.64 -0.94 -3.37 113.55 119.36 1yiy h SER 316 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1yiy h SER 316 Cb 1.90 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.94 1yiy h SER 316 CO 0.01 0.51 0.59 -0.29 -0.87 0.00 0.00 176.83 176.78 1yiy h ILE 317 N 0.00 1.25 -0.25 0.95 6.09 -1.72 -0.42 117.51 123.40 1yiy h ILE 317 Ca -0.09 -0.49 -0.12 0.00 -1.37 0.00 0.00 64.86 62.79 1yiy h ILE 317 Cb 1.47 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 1yiy h ILE 317 CO 0.05 0.25 -0.35 0.77 -3.07 0.00 0.00 178.15 175.80 1yiy h SER 318 N 1.27 0.57 0.72 2.19 4.64 -1.77 -0.43 113.55 120.75 1yiy h SER 318 Ca 0.34 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 1yiy h SER 318 Cb -0.10 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1yiy h SER 318 CO -0.07 0.88 -0.32 1.23 -0.87 0.00 0.00 176.83 177.68 1yiy h GLY 319 N 1.05 0.00 1.02 -0.77 0.00 -1.51 0.66 103.07 103.52 1yiy h GLY 319 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 1yiy h GLY 319 CO 0.07 0.00 -0.50 -2.09 0.00 0.00 0.00 176.54 174.02 1yiy h GLU 320 N 0.00 0.71 0.00 4.80 4.81 -0.59 -3.27 114.58 121.04 1yiy h GLU 320 Ca -0.00 -0.48 -0.12 0.00 -0.13 0.00 0.00 59.36 58.62 1yiy h GLU 320 Cb 0.77 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1yiy h GLU 320 CO 0.04 1.11 -0.57 -0.07 -0.73 0.00 0.00 179.01 178.79 1yiy h LEU 321 N 0.43 0.00 -0.34 1.64 4.07 -0.80 -3.35 115.31 116.96 1yiy h LEU 321 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1yiy h LEU 321 Cb 1.11 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.84 1yiy h LEU 321 CO 0.11 0.57 0.20 -0.03 -1.08 0.00 0.00 178.44 178.21 1yiy h MET 322 N 0.00 0.46 -0.62 1.13 1.85 -0.92 0.19 114.93 117.02 1yiy h MET 322 Ca -0.01 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 1yiy h MET 322 Cb 1.21 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 33.12 1yiy h MET 322 CO 0.07 0.36 0.40 0.00 -0.40 0.00 0.00 176.91 177.35 1yiy h ALA 323 N 1.07 0.79 -0.67 0.39 0.00 -1.72 -0.82 119.26 118.31 1yiy h ALA 323 Ca 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1yiy h ALA 323 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1yiy h ALA 323 CO -0.02 0.23 0.29 0.87 0.00 0.00 0.00 179.25 180.61 1yiy h LYS 324 N 0.84 1.00 -0.69 0.00 1.57 -1.59 -1.72 116.57 115.98 1yiy h LYS 324 Ca 0.23 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1yiy h LYS 324 Cb -0.08 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.01 1yiy h LYS 324 CO -0.05 0.82 0.42 -0.09 -0.57 0.00 0.00 179.45 179.98 1yiy h ARG 325 N 0.95 0.77 -0.49 3.15 1.12 -0.14 -1.71 114.38 118.03 1yiy h ARG 325 Ca 0.23 -0.05 -0.11 0.00 -1.11 0.00 0.00 59.98 58.94 1yiy h ARG 325 Cb 0.18 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 1yiy h ARG 325 CO -0.02 0.51 -0.15 -0.44 -3.11 0.00 0.00 179.97 176.76 1yiy h ASP 326 N 0.79 0.94 -0.01 -3.80 3.45 -0.79 -1.86 116.42 115.14 1yiy h ASP 326 Ca 0.29 -0.32 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 1yiy h ASP 326 Cb 0.10 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.61 1yiy h ASP 326 CO -0.14 1.08 0.01 0.22 -1.57 0.00 0.00 179.24 178.84 1yiy h TYR 327 N 0.83 0.01 -0.58 4.55 3.20 -1.13 -2.37 116.97 121.48 1yiy h TYR 327 Ca 0.12 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1yiy h TYR 327 Cb 0.69 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 1yiy h TYR 327 CO 0.04 0.06 -0.00 1.98 -1.64 0.00 0.00 178.16 178.60 1yiy h MET 328 N -0.04 1.00 -0.86 1.82 4.05 -1.17 -1.23 114.93 118.50 1yiy h MET 328 Ca 0.00 -0.31 -0.00 0.00 -0.28 0.00 0.00 59.70 59.11 1yiy h MET 328 Cb 0.05 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.71 1yiy h MET 328 CO -0.00 0.99 0.53 0.00 0.23 0.00 0.00 176.91 178.65 1yiy h ALA 329 N 1.06 1.31 -0.09 0.39 0.00 -1.26 -0.91 119.26 119.75 1yiy h ALA 329 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1yiy h ALA 329 Cb 0.54 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yiy h ALA 329 CO 0.03 0.60 -0.01 1.03 0.00 0.00 0.00 179.25 180.90 1yiy h SER 330 N 1.18 0.17 1.23 0.00 0.87 -1.08 -2.17 113.55 113.75 1yiy h SER 330 Ca 0.31 -0.34 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1yiy h SER 330 Cb -0.06 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1yiy h SER 330 CO -0.06 0.46 -0.33 2.19 -0.53 0.00 0.00 176.83 178.56 1yiy h PHE 331 N -0.13 0.00 -0.23 2.24 -0.00 -0.98 0.22 116.94 118.06 1yiy h PHE 331 Ca 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.87 1yiy h PHE 331 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.33 1yiy h PHE 331 CO 0.04 0.33 -0.34 -0.07 -0.00 0.00 0.00 178.31 178.27 1yiy h LEU 332 N 0.00 0.70 -1.08 2.10 3.38 -1.16 -2.63 115.31 116.61 1yiy h LEU 332 Ca -0.00 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.37 1yiy h LEU 332 Cb 1.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1yiy h LEU 332 CO 0.04 1.08 -0.17 0.00 0.09 0.00 0.00 178.44 179.48 1yiy h ALA 333 N 0.64 1.23 0.00 1.53 0.00 -1.24 -1.45 119.26 119.97 1yiy h ALA 333 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1yiy h ALA 333 Cb 0.93 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1yiy h ALA 333 CO 0.08 0.50 -0.29 1.05 0.00 0.00 0.00 179.25 180.59 1yiy h GLU 334 N 0.41 0.00 -0.00 0.00 4.11 -0.89 -2.82 114.58 115.38 1yiy h GLU 334 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1yiy h GLU 334 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1yiy h GLU 334 CO 0.03 0.29 -0.43 1.55 0.07 0.00 0.00 179.01 180.52 1yiy n VAL 335 N -3.56 0.00 0.00 -1.06 3.14 -1.00 -4.95 118.33 110.90 1yiy n VAL 335 Ca -0.01 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1yiy n VAL 335 Cb 0.43 0.43 0.00 0.00 -1.06 0.00 0.00 33.84 33.64 1yiy n VAL 335 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1yiy n GLY 336 N 1.43 1.55 3.70 7.55 0.00 -1.04 -5.02 105.19 113.36 1yiy n GLY 336 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1yiy n GLY 336 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yiy s MET 337 N 0.00 1.40 -0.49 1.61 -1.94 -0.57 -4.66 119.30 114.65 1yiy s MET 337 Ca 0.00 1.44 -0.02 0.00 -1.71 0.00 0.00 55.69 55.40 1yiy s MET 337 Cb 0.00 -1.78 0.13 0.00 2.01 0.00 0.00 34.83 35.19 1yiy s MET 337 CO 0.00 -2.33 0.28 -0.80 -0.01 0.00 0.00 175.02 172.16 1yiy s ASN 338 N -2.89 5.16 0.40 3.03 0.01 0.12 -3.88 114.94 116.89 1yiy s ASN 338 Ca 0.65 -2.39 -0.14 0.00 -0.71 0.00 0.00 52.86 50.27 1yiy s ASN 338 Cb -0.21 -1.81 -0.08 0.00 0.41 0.00 0.00 41.25 39.56 1yiy s ASN 338 CO 0.57 -0.45 0.80 -2.16 -1.51 0.00 0.00 177.10 174.35 1yiy s PRO 339 N 0.61 3.91 -0.36 -0.60 0.04 -1.26 -0.72 135.00 136.61 1yiy s PRO 339 Ca 0.12 0.65 -0.13 0.00 0.04 0.00 0.00 61.00 61.68 1yiy s PRO 339 Cb -0.22 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1yiy s PRO 339 CO -0.04 -0.01 0.24 0.99 0.04 0.00 0.00 177.00 178.22 1yiy s THR 340 N -2.27 5.04 -0.25 1.26 2.01 0.06 -2.49 115.64 119.00 1yiy s THR 340 Ca 0.54 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 1yiy s THR 340 Cb -0.10 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1yiy s THR 340 CO 0.25 -0.13 1.38 -0.69 -0.69 0.00 0.00 174.62 174.74 1yiy s VAL 341 N 1.66 4.05 0.40 3.82 1.01 0.10 -4.30 120.40 127.14 1yiy s VAL 341 Ca 0.05 1.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.98 1yiy s VAL 341 Cb -0.18 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1yiy s VAL 341 CO 0.09 -0.36 1.15 -2.16 0.00 0.00 0.00 175.10 173.82 1yiy s PRO 342 N 4.15 4.05 0.15 2.72 0.04 -1.26 -1.28 135.00 143.58 1yiy s PRO 342 Ca 0.60 1.77 0.26 0.00 0.04 0.00 0.00 61.00 63.67 1yiy s PRO 342 Cb -0.20 -2.63 0.72 0.00 0.04 0.00 0.00 34.50 32.43 1yiy s PRO 342 CO 0.23 -0.30 1.66 1.04 0.04 0.00 0.00 177.00 179.66 1yiy n GLN 343 N 0.01 0.23 -3.77 4.56 6.02 -0.74 -4.89 117.38 118.81 1yiy n GLN 343 Ca 0.05 0.15 -0.08 0.00 -0.01 0.00 0.00 57.00 57.10 1yiy n GLN 343 Cb 0.47 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 1yiy n GLN 343 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1yiy s GLY 344 N -3.51 -0.18 0.00 1.08 0.00 0.25 -0.37 107.32 104.59 1yiy s GLY 344 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.66 1yiy s GLY 344 CO 0.63 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.27 1yiy n GLY 345 N -0.43 -2.16 0.73 0.20 0.00 -0.10 -4.35 105.19 99.07 1yiy n GLY 345 Ca -0.07 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.52 1yiy n GLY 345 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1yiy n TYR 346 N -0.26 0.00 -4.51 1.61 0.18 -1.26 -5.01 117.16 107.91 1yiy n TYR 346 Ca 0.00 -1.11 -0.31 0.00 1.88 0.00 0.00 57.90 58.36 1yiy n TYR 346 Cb 0.00 -0.20 -0.11 0.00 -0.38 0.00 0.00 39.34 38.64 1yiy n TYR 346 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1yiy s PHE 347 N -2.26 2.69 -0.04 -3.48 0.08 -1.26 -1.60 117.98 112.11 1yiy s PHE 347 Ca 0.34 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.22 1yiy s PHE 347 Cb 0.34 -1.50 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 1yiy s PHE 347 CO -0.07 0.32 -0.01 1.41 -0.10 0.00 0.00 175.22 176.77 1yiy s MET 348 N -1.59 0.49 -0.05 0.44 -2.45 -0.19 -4.64 119.30 111.30 1yiy s MET 348 Ca 0.17 0.04 -0.04 0.00 -1.25 0.00 0.00 55.69 54.61 1yiy s MET 348 Cb -0.11 -0.67 -0.04 0.00 1.25 0.00 0.00 34.83 35.27 1yiy s MET 348 CO 0.08 -0.15 0.16 0.08 1.05 0.00 0.00 175.02 176.23 1yiy s VAL 349 N 1.19 5.40 0.02 10.11 1.01 -1.26 -0.37 120.40 136.50 1yiy s VAL 349 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1yiy s VAL 349 Cb -0.13 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1yiy s VAL 349 CO -0.02 0.44 -0.03 0.00 0.00 0.00 0.00 175.10 175.50 1yiy s ALA 350 N -1.20 0.11 -0.44 5.51 0.00 -0.01 -0.76 121.76 124.97 1yiy s ALA 350 Ca 0.22 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 1yiy s ALA 350 Cb -0.12 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1yiy s ALA 350 CO 0.13 -0.11 0.81 0.34 0.00 0.00 0.00 175.76 176.92 1yiy s ASP 351 N -1.11 6.44 0.02 0.00 -1.08 0.10 -1.55 116.67 119.49 1yiy s ASP 351 Ca -0.12 -0.01 -0.19 0.00 -0.52 0.00 0.00 52.55 51.71 1yiy s ASP 351 Cb -0.08 -2.40 -0.06 0.00 -1.46 0.00 0.00 42.92 38.93 1yiy s ASP 351 CO -0.01 -0.91 0.55 -1.66 0.52 0.00 0.00 175.17 173.66 1yiy s TRP 352 N 3.34 3.72 -0.63 -5.34 1.48 -0.55 -0.70 118.94 120.26 1yiy s TRP 352 Ca 0.31 1.18 0.05 0.00 -1.06 0.00 0.00 56.10 56.59 1yiy s TRP 352 Cb -0.12 -2.52 0.19 0.00 -1.16 0.00 0.00 33.47 29.86 1yiy s TRP 352 CO 0.23 0.46 0.53 0.45 -4.06 0.00 0.00 176.95 174.56 1yiy n SER 353 N 2.30 2.49 -0.08 -2.66 2.88 -1.26 -4.62 113.62 112.67 1yiy n SER 353 Ca -0.09 -3.11 -0.10 0.00 -1.33 0.00 0.00 58.87 54.24 1yiy n SER 353 Cb 0.51 -0.70 -0.09 0.00 -0.75 0.00 0.00 64.21 63.18 1yiy n SER 353 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1yiy n SER 354 N 1.83 2.27 -0.05 -3.46 7.64 -1.26 -4.62 113.62 115.98 1yiy n SER 354 Ca 0.24 -0.06 0.02 0.00 1.01 0.00 0.00 58.87 60.07 1yiy n SER 354 Cb 0.39 0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1yiy n SER 354 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yiy n LEU 355 N -2.85 0.52 -0.33 -3.43 -0.00 -1.26 -4.31 117.00 105.34 1yiy n LEU 355 Ca -0.28 -0.65 0.36 0.00 -0.00 0.00 0.00 56.01 55.43 1yiy n LEU 355 Cb 0.87 0.00 0.75 0.00 -0.00 0.00 0.00 43.42 45.04 1yiy n LEU 355 CO 0.22 0.12 1.33 0.44 -0.00 0.00 0.00 177.39 179.49 1yiy h ASP 356 N 0.24 0.00 0.00 1.45 3.45 -1.81 -3.05 116.42 116.70 1yiy h ASP 356 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1yiy h ASP 356 Cb 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 1yiy h ASP 356 CO 0.00 0.00 -0.01 -0.24 -1.57 0.00 0.00 179.24 177.42 1yiy n SER 357 N -4.12 0.00 -4.02 6.45 2.88 -1.26 -5.09 113.62 108.46 1yiy n SER 357 Ca 0.26 -1.03 -0.28 0.00 -1.33 0.00 0.00 58.87 56.49 1yiy n SER 357 Cb 1.28 -0.01 -0.17 0.00 -0.75 0.00 0.00 64.21 64.57 1yiy n SER 357 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1yiy s LYS 358 N 0.00 2.08 0.00 -1.46 -0.14 -1.15 -5.02 119.74 114.05 1yiy s LYS 358 Ca 0.00 -0.50 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 1yiy s LYS 358 Cb 0.00 -1.84 0.00 0.00 -1.68 0.00 0.00 37.83 34.31 1yiy s LYS 358 CO 0.00 -0.12 0.78 1.33 -0.76 0.00 0.00 175.35 176.58 1yiy n VAL 359 N 4.39 0.00 0.27 3.17 0.24 -1.26 -3.79 118.33 121.35 1yiy n VAL 359 Ca -0.18 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.23 1yiy n VAL 359 Cb 0.51 -0.18 0.54 0.00 -1.47 0.00 0.00 33.84 33.24 1yiy n VAL 359 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1yiy n ASP 360 N -0.33 0.61 -4.22 -1.34 3.85 -1.26 -4.61 116.55 109.24 1yiy n ASP 360 Ca 0.00 0.71 -0.19 0.00 -0.71 0.00 0.00 54.79 54.60 1yiy n ASP 360 Cb 0.08 -0.82 -0.12 0.00 -1.35 0.00 0.00 41.12 38.91 1yiy n ASP 360 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1yiy s LEU 361 N -4.48 2.34 -0.30 -2.12 1.43 -1.25 -5.07 118.68 109.23 1yiy s LEU 361 Ca 0.01 -0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1yiy s LEU 361 Cb 0.08 -0.59 0.15 0.00 0.03 0.00 0.00 46.19 45.86 1yiy s LEU 361 CO 0.29 -0.09 0.91 0.28 0.23 0.00 0.00 176.35 177.97 1yiy s THR 362 N -1.67 -0.50 -0.42 5.49 -1.32 -1.26 -4.94 115.64 111.01 1yiy s THR 362 Ca 0.05 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1yiy s THR 362 Cb -0.08 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.03 1yiy s THR 362 CO 0.03 0.00 0.16 -1.10 -2.21 0.00 0.00 174.62 171.50 1yiy s GLN 363 N 2.33 1.76 0.47 7.08 1.11 -1.26 -4.91 119.66 126.24 1yiy s GLN 363 Ca -0.05 -2.16 0.23 0.00 0.01 0.00 0.00 55.36 53.39 1yiy s GLN 363 Cb -0.07 -3.31 1.25 0.00 -1.01 0.00 0.00 33.01 29.87 1yiy s GLN 363 CO -0.17 -1.02 1.88 0.93 0.01 0.00 0.00 175.29 176.91 1yiy h GLU 364 N 7.24 0.22 -0.75 2.91 4.39 -2.07 -1.38 114.58 125.15 1yiy h GLU 364 Ca -0.06 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.74 1yiy h GLU 364 Cb 0.98 -0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.45 1yiy h GLU 364 CO 0.60 0.15 -0.28 2.41 -1.16 0.00 0.00 179.01 180.73 1yiy n THR 365 N -4.42 -0.39 -2.53 1.13 -1.04 -1.26 -4.89 114.28 100.88 1yiy n THR 365 Ca 0.18 1.74 -0.05 0.00 -2.04 0.00 0.00 64.05 63.88 1yiy n THR 365 Cb 0.78 -2.31 0.01 0.00 -1.82 0.00 0.00 70.33 66.98 1yiy n THR 365 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1yiy n ASP 366 N -5.11 -6.63 -2.69 8.00 9.92 -0.52 -5.02 116.55 114.49 1yiy n ASP 366 Ca 0.08 0.51 -0.07 0.00 -0.53 0.00 0.00 54.79 54.78 1yiy n ASP 366 Cb 0.31 -4.41 0.11 0.00 -0.64 0.00 0.00 41.12 36.48 1yiy n ASP 366 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yiy n ALA 367 N -0.23 1.70 -2.17 2.24 0.00 -1.26 -5.10 120.51 115.69 1yiy n ALA 367 Ca 0.08 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1yiy n ALA 367 Cb 0.31 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1yiy n ALA 367 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1yiy n ARG 368 N -0.60 -3.84 -0.25 0.00 1.85 -1.26 -4.67 116.66 107.90 1yiy n ARG 368 Ca -0.02 2.75 -0.00 0.00 -1.00 0.00 0.00 57.85 59.58 1yiy n ARG 368 Cb 0.85 -3.46 0.21 0.00 -1.05 0.00 0.00 32.46 29.01 1yiy n ARG 368 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1yiy h LYS 369 N 4.19 1.07 0.00 2.89 1.57 -1.97 -2.96 116.57 121.36 1yiy h LYS 369 Ca 0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1yiy h LYS 369 Cb 0.00 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1yiy h LYS 369 CO 0.00 0.71 -0.02 0.38 -0.57 0.00 0.00 179.45 179.96 1yiy h ASP 370 N 1.10 0.00 0.31 0.86 2.03 -1.83 0.50 116.42 119.39 1yiy h ASP 370 Ca 0.30 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.34 1yiy h ASP 370 Cb -0.12 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.39 1yiy h ASP 370 CO -0.06 0.02 -1.06 1.88 -1.03 0.00 0.00 179.24 178.99 1yiy h TYR 371 N 0.00 0.72 0.25 4.15 -1.99 -1.79 -2.43 116.97 115.88 1yiy h TYR 371 Ca -0.00 -0.42 -0.34 0.00 2.00 0.00 0.00 58.73 59.97 1yiy h TYR 371 Cb 0.17 -0.07 0.04 0.00 2.00 0.00 0.00 36.73 38.87 1yiy h TYR 371 CO 0.00 1.26 -1.50 0.07 -0.00 0.00 0.00 178.16 177.99 1yiy h ARG 372 N 0.23 0.53 -0.39 4.88 0.11 -1.03 -0.68 114.38 118.03 1yiy h ARG 372 Ca -0.11 -0.91 -0.04 0.00 0.10 0.00 0.00 59.98 59.01 1yiy h ARG 372 Cb 1.72 0.34 -0.02 0.00 1.11 0.00 0.00 29.97 33.12 1yiy h ARG 372 CO 0.19 1.44 0.07 0.35 0.10 0.00 0.00 179.97 182.12 1yiy h PHE 373 N 0.14 0.68 -0.06 4.08 3.57 -0.23 -1.50 116.94 123.63 1yiy h PHE 373 Ca -0.26 -0.09 -0.19 0.00 3.53 0.00 0.00 57.97 60.96 1yiy h PHE 373 Cb 2.16 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.71 1yiy h PHE 373 CO 0.13 0.67 -0.76 0.00 -2.23 0.00 0.00 178.31 176.12 1yiy h THR 374 N 0.49 1.40 -0.19 4.41 1.03 -1.49 -2.30 112.91 116.26 1yiy h THR 374 Ca 0.12 -2.22 -0.08 0.00 -0.01 0.00 0.00 66.41 64.23 1yiy h THR 374 Cb 0.35 2.18 -0.00 0.00 -1.07 0.00 0.00 68.15 69.60 1yiy h THR 374 CO 0.01 0.66 -0.18 0.11 -0.01 0.00 0.00 175.52 176.11 1yiy h LYS 375 N 0.24 0.46 0.00 0.00 1.57 -1.10 -2.98 116.57 114.76 1yiy h LYS 375 Ca -0.04 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1yiy h LYS 375 Cb 1.34 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.66 1yiy h LYS 375 CO 0.13 0.81 -0.01 2.35 -0.57 0.00 0.00 179.45 182.15 1yiy h TRP 376 N 0.12 0.00 0.03 -1.35 7.01 -1.20 -1.63 115.95 118.93 1yiy h TRP 376 Ca 0.03 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1yiy h TRP 376 Cb 0.72 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 1yiy h TRP 376 CO 0.08 0.01 -0.01 0.52 -2.79 0.00 0.00 178.44 176.25 1yiy h MET 377 N 0.00 -0.04 -0.22 2.65 2.86 -1.27 0.66 114.93 119.57 1yiy h MET 377 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1yiy h MET 377 Cb 0.05 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1yiy h MET 377 CO 0.00 0.62 0.03 1.79 1.06 0.00 0.00 176.91 180.41 1yiy h THR 378 N -0.77 1.13 0.00 2.22 1.35 -0.74 0.53 112.91 116.63 1yiy h THR 378 Ca -0.00 -0.48 -0.17 0.00 -0.55 0.00 0.00 66.41 65.21 1yiy h THR 378 Cb 0.68 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 1yiy h THR 378 CO 0.01 0.16 -1.01 0.07 -0.25 0.00 0.00 175.52 174.50 1yiy h LYS 379 N 0.32 0.00 0.00 4.72 2.10 -1.34 -3.15 116.57 119.22 1yiy h LYS 379 Ca 0.08 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.38 1yiy h LYS 379 Cb 0.18 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.44 1yiy h LYS 379 CO 0.00 0.59 -2.30 0.43 -2.00 0.00 0.00 179.45 176.17 1yiy n SER 380 N -3.16 2.23 -0.05 7.07 7.64 0.22 -4.67 113.62 122.89 1yiy n SER 380 Ca -0.04 -0.12 0.03 0.00 1.01 0.00 0.00 58.87 59.76 1yiy n SER 380 Cb 0.86 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1yiy n SER 380 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1yiy n VAL 381 N -3.17 0.00 -1.83 0.44 0.31 0.16 -5.01 118.33 109.23 1yiy n VAL 381 Ca -0.40 -0.36 -0.05 0.00 -0.01 0.00 0.00 64.34 63.51 1yiy n VAL 381 Cb 0.93 1.03 -0.01 0.00 -0.91 0.00 0.00 33.84 34.88 1yiy n VAL 381 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yiy n GLY 382 N 1.04 0.33 3.16 2.92 0.00 0.18 -4.97 105.19 107.85 1yiy n GLY 382 Ca 0.02 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1yiy n GLY 382 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yiy s LEU 383 N -1.30 2.20 0.00 0.99 2.96 -1.18 0.25 118.68 122.61 1yiy s LEU 383 Ca 0.00 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1yiy s LEU 383 Cb 0.00 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.20 1yiy s LEU 383 CO 0.00 0.03 0.00 1.67 -1.32 0.00 0.00 176.35 176.73 1yiy n GLN 384 N 4.44 0.00 0.00 1.98 -0.06 -0.55 -1.32 117.38 121.87 1yiy n GLN 384 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.80 1yiy n GLN 384 Cb 0.51 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.69 1yiy n GLN 384 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1yiy n GLY 385 N 1.66 -0.79 3.19 1.69 0.00 -1.26 -4.42 105.19 105.24 1yiy n GLY 385 Ca 0.00 -1.53 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 1yiy n GLY 385 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1yiy s ILE 386 N -3.14 1.28 -0.29 -0.61 -0.00 -0.62 -4.73 121.20 113.09 1yiy s ILE 386 Ca 0.00 -1.19 -0.29 0.00 -0.00 0.00 0.00 60.65 59.17 1yiy s ILE 386 Cb 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 42.46 41.29 1yiy s ILE 386 CO 0.00 -0.04 1.23 -2.16 -0.00 0.00 0.00 174.94 173.97 1yiy s PRO 387 N -1.42 3.99 0.32 0.37 0.04 -1.26 -1.24 135.00 135.80 1yiy s PRO 387 Ca 0.02 1.24 0.24 0.00 0.04 0.00 0.00 61.00 62.54 1yiy s PRO 387 Cb -0.09 -3.83 1.14 0.00 0.04 0.00 0.00 34.50 31.76 1yiy s PRO 387 CO 0.02 -1.01 1.73 -1.35 0.04 0.00 0.00 177.00 176.42 1yiy h PRO 388 N 8.82 0.00 -0.05 0.56 0.11 -1.78 -2.34 132.00 137.33 1yiy h PRO 388 Ca -0.25 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.88 1yiy h PRO 388 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1yiy h PRO 388 CO 1.03 0.00 0.06 0.66 -0.21 0.00 0.00 178.00 179.54 1yiy h SER 389 N 0.00 0.00 0.11 -2.05 4.64 -1.83 0.12 113.55 114.54 1yiy h SER 389 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yiy h SER 389 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1yiy h SER 389 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1yiy h ALA 390 N 1.93 1.00 -0.63 5.18 0.00 -1.79 -2.07 119.26 122.87 1yiy h ALA 390 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1yiy h ALA 390 Cb 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.80 1yiy h ALA 390 CO -0.00 0.00 0.22 1.19 0.00 0.00 0.00 179.25 180.66 1yiy n PHE 391 N -2.30 2.06 -4.29 0.00 3.01 0.44 -4.71 117.46 111.67 1yiy n PHE 391 Ca -0.01 -1.32 -0.20 0.00 1.01 0.00 0.00 57.45 56.93 1yiy n PHE 391 Cb 0.06 -0.63 -0.13 0.00 -0.01 0.00 0.00 39.48 38.78 1yiy n PHE 391 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1yiy s TYR 392 N -3.06 1.34 0.70 1.38 1.51 -0.78 -0.45 117.35 117.99 1yiy s TYR 392 Ca 0.52 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 56.01 1yiy s TYR 392 Cb 0.43 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1yiy s TYR 392 CO 0.10 0.07 1.20 -1.54 -1.11 0.00 0.00 175.55 174.28 1yiy s SER 393 N -1.49 4.45 0.24 2.29 1.04 -1.26 -4.71 113.70 114.26 1yiy s SER 393 Ca 0.01 2.35 -0.12 0.00 0.48 0.00 0.00 55.95 58.67 1yiy s SER 393 Cb -0.09 -2.59 0.32 0.00 0.10 0.00 0.00 66.02 63.76 1yiy s SER 393 CO 0.02 -2.09 1.59 1.05 0.98 0.00 0.00 173.24 174.79 1yiy h GLU 394 N -0.04 -0.02 0.00 4.02 9.09 -2.01 0.53 114.58 126.16 1yiy h GLU 394 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1yiy h GLU 394 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1yiy h GLU 394 CO 0.51 -0.01 0.00 -0.35 0.05 0.00 0.00 179.01 179.21 1yiy n PRO 395 N -5.52 0.19 -0.21 1.06 -0.04 -1.26 -3.41 135.00 125.81 1yiy n PRO 395 Ca 0.11 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 1yiy n PRO 395 Cb 0.41 -1.78 0.18 0.00 -0.04 0.00 0.00 33.50 32.28 1yiy n PRO 395 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1yiy n ASN 396 N -2.12 3.10 -0.30 3.54 4.13 0.14 -4.67 115.26 119.09 1yiy n ASN 396 Ca 0.04 -1.99 -0.05 0.00 1.68 0.00 0.00 54.58 54.26 1yiy n ASN 396 Cb 0.33 -0.28 0.07 0.00 -1.54 0.00 0.00 39.78 38.36 1yiy n ASN 396 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1yiy h LYS 397 N 2.45 1.11 -0.93 3.52 1.57 -1.47 -2.48 116.57 120.35 1yiy h LYS 397 Ca 0.00 -0.12 0.27 0.00 -1.87 0.00 0.00 60.65 58.93 1yiy h LYS 397 Cb 0.78 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1yiy h LYS 397 CO 0.00 0.80 0.73 1.25 -0.57 0.00 0.00 179.45 181.66 1yiy h HIS 398 N 1.11 0.00 -0.77 -1.35 -0.00 -1.85 0.22 115.15 112.51 1yiy h HIS 398 Ca 0.29 0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.78 1yiy h HIS 398 Cb -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 1yiy h HIS 398 CO -0.00 0.00 0.51 -0.07 -0.00 0.00 0.00 177.93 178.37 1yiy h LEU 399 N 0.00 0.51 -2.57 0.26 4.07 -1.81 -2.53 115.31 113.25 1yiy h LEU 399 Ca 0.44 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.42 1yiy h LEU 399 Cb 1.89 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.55 1yiy h LEU 399 CO -0.00 0.28 0.00 0.61 -1.08 0.00 0.00 178.44 178.25 1yiy n GLY 400 N -1.48 2.16 0.17 0.83 0.00 0.77 -4.63 105.19 103.00 1yiy n GLY 400 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.42 1yiy n GLY 400 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yiy h GLU 401 N 4.36 0.00 -0.58 1.61 5.08 -1.47 -2.66 114.58 120.92 1yiy h GLU 401 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yiy h GLU 401 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1yiy h GLU 401 CO 0.00 0.45 0.00 -0.25 -1.00 0.00 0.00 179.01 178.21 1yiy n ASP 402 N -3.72 3.28 -4.55 1.42 8.00 -1.26 -2.98 116.55 116.73 1yiy n ASP 402 Ca -0.01 -2.23 -0.26 0.00 0.71 0.00 0.00 54.79 53.00 1yiy n ASP 402 Cb 0.52 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 41.07 1yiy n ASP 402 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1yiy s PHE 403 N -1.65 2.36 -0.05 1.24 0.08 -1.00 -1.48 117.98 117.48 1yiy s PHE 403 Ca 0.35 -0.59 -0.07 0.00 0.12 0.00 0.00 56.93 56.75 1yiy s PHE 403 Cb 0.22 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 41.22 1yiy s PHE 403 CO 0.19 0.49 0.17 0.54 -0.10 0.00 0.00 175.22 176.50 1yiy s VAL 404 N -2.72 0.02 -0.10 -0.44 0.11 -0.59 -4.31 120.40 112.37 1yiy s VAL 404 Ca 0.33 -0.18 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1yiy s VAL 404 Cb 0.05 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1yiy s VAL 404 CO 0.16 -0.10 -0.03 -0.60 -3.33 0.00 0.00 175.10 171.21 1yiy s ARG 405 N -0.29 3.11 0.14 1.54 3.52 -0.37 -0.83 118.95 125.76 1yiy s ARG 405 Ca -0.04 -0.47 0.08 0.00 -0.13 0.00 0.00 55.73 55.17 1yiy s ARG 405 Cb -0.03 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 1yiy s ARG 405 CO 0.01 0.57 -0.19 0.71 -0.81 0.00 0.00 175.30 175.59 1yiy s TYR 406 N -0.53 1.76 -0.15 5.12 2.02 0.50 -1.59 117.35 124.48 1yiy s TYR 406 Ca 0.08 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1yiy s TYR 406 Cb -0.12 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.50 1yiy s TYR 406 CO 0.02 0.27 -0.05 0.00 -1.57 0.00 0.00 175.55 174.22 1yiy n PHE 408 N 3.49 0.82 -1.66 0.00 1.16 -0.63 -4.72 117.46 115.93 1yiy n PHE 408 Ca -0.17 -0.78 -0.40 0.00 -1.87 0.00 0.00 57.45 54.22 1yiy n PHE 408 Cb 0.52 -0.24 -0.01 0.00 -1.61 0.00 0.00 39.48 38.14 1yiy n PHE 408 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1yiy n PHE 409 N -0.25 2.84 -4.15 2.97 -0.00 -1.26 -4.74 117.46 112.86 1yiy n PHE 409 Ca 0.19 -2.99 -0.10 0.00 -0.00 0.00 0.00 57.45 54.55 1yiy n PHE 409 Cb 0.78 -2.35 -0.10 0.00 -0.00 0.00 0.00 39.48 37.80 1yiy n PHE 409 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1yiy s LYS 410 N 1.76 0.78 0.35 -4.13 -0.14 -1.26 -3.28 119.74 113.82 1yiy s LYS 410 Ca 0.57 -1.30 -0.26 0.00 -1.36 0.00 0.00 55.97 53.63 1yiy s LYS 410 Cb 0.16 -0.12 -0.13 0.00 -1.68 0.00 0.00 37.83 36.06 1yiy s LYS 410 CO -0.07 -0.04 0.85 1.63 -0.76 0.00 0.00 175.35 176.97 1yiy n LYS 411 N 0.03 1.03 -0.29 1.68 4.76 -1.26 -4.76 118.16 119.35 1yiy n LYS 411 Ca -0.13 0.37 0.06 0.00 -2.87 0.00 0.00 58.31 55.74 1yiy n LYS 411 Cb 0.61 -1.73 0.21 0.00 -1.84 0.00 0.00 35.03 32.27 1yiy n LYS 411 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1yiy h ASP 412 N 1.48 0.55 -0.37 4.39 3.45 -1.99 -1.35 116.42 122.59 1yiy h ASP 412 Ca -0.40 0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.15 1yiy h ASP 412 Cb 1.36 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 40.11 1yiy h ASP 412 CO 0.57 0.25 0.25 1.05 -1.57 0.00 0.00 179.24 179.79 1yiy h GLU 413 N 0.65 0.47 0.03 3.56 4.11 -1.99 0.17 114.58 121.58 1yiy h GLU 413 Ca 0.45 -0.03 -0.23 0.00 0.07 0.00 0.00 59.36 59.62 1yiy h GLU 413 Cb 0.59 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1yiy h GLU 413 CO -0.34 0.31 -1.00 -0.91 0.07 0.00 0.00 179.01 177.15 1yiy h ASN 414 N 0.48 0.43 -0.84 3.06 -0.26 -1.62 -1.95 115.58 114.88 1yiy h ASN 414 Ca 0.14 -0.37 -0.00 0.00 -0.56 0.00 0.00 56.30 55.50 1yiy h ASN 414 Cb -0.02 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.06 1yiy h ASN 414 CO -0.03 1.20 0.51 -0.07 -1.06 0.00 0.00 177.43 177.98 1yiy h LEU 415 N 0.16 1.01 -0.94 1.61 3.38 -0.62 -0.42 115.31 119.48 1yiy h LEU 415 Ca -0.08 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1yiy h LEU 415 Cb 1.65 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1yiy h LEU 415 CO 0.16 0.77 -0.32 -0.61 0.09 0.00 0.00 178.44 178.54 1yiy h GLN 416 N 1.15 0.39 -0.36 1.13 5.75 -0.92 -1.92 115.11 120.34 1yiy h GLN 416 Ca 0.30 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.67 1yiy h GLN 416 Cb -0.05 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1yiy h GLN 416 CO -0.06 0.67 0.17 -0.22 -2.65 0.00 0.00 178.83 176.74 1yiy h LYS 417 N 0.33 0.34 -0.03 1.69 3.64 -0.55 0.76 116.57 122.76 1yiy h LYS 417 Ca 0.04 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1yiy h LYS 417 Cb 0.73 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1yiy h LYS 417 CO 0.06 0.22 -0.02 0.00 -2.27 0.00 0.00 179.45 177.44 1yiy h ALA 418 N 1.20 0.01 -0.28 5.00 0.00 -0.86 -0.40 119.26 123.92 1yiy h ALA 418 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yiy h ALA 418 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1yiy h ALA 418 CO -0.12 -0.50 0.15 0.00 0.00 0.00 0.00 179.25 178.78 1yiy h ALA 419 N 1.01 1.74 -0.16 0.00 0.00 -1.11 -1.76 119.26 118.99 1yiy h ALA 419 Ca 0.02 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1yiy h ALA 419 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1yiy h ALA 419 CO -0.04 0.22 -0.48 1.05 0.00 0.00 0.00 179.25 180.01 1yiy h GLU 420 N 0.39 0.60 0.00 0.00 4.11 -0.48 -1.20 114.58 118.00 1yiy h GLU 420 Ca 0.10 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1yiy h GLU 420 Cb 0.01 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1yiy h GLU 420 CO -0.02 1.06 0.00 0.44 0.07 0.00 0.00 179.01 180.56 1yiy n ILE 421 N -4.21 0.81 0.02 -1.06 -5.35 -0.19 -1.85 119.36 107.53 1yiy n ILE 421 Ca -0.07 0.18 -0.22 0.00 -0.27 0.00 0.00 62.75 62.37 1yiy n ILE 421 Cb 0.58 -1.02 -0.14 0.00 -1.74 0.00 0.00 39.64 37.33 1yiy n ILE 421 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1yiy h LEU 422 N 0.00 0.43 -0.57 7.28 4.07 -1.24 -2.92 115.31 122.36 1yiy h LEU 422 Ca 0.00 -0.89 -0.04 0.00 0.08 0.00 0.00 57.88 57.04 1yiy h LEU 422 Cb 0.37 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1yiy h LEU 422 CO 0.00 1.74 0.21 -0.09 -1.08 0.00 0.00 178.44 179.22 1yiy h ARG 423 N -0.12 0.86 -0.47 1.13 9.65 -0.93 -2.03 114.38 122.47 1yiy h ARG 423 Ca -0.36 -0.17 -0.11 0.00 -1.10 0.00 0.00 59.98 58.25 1yiy h ARG 423 Cb 1.91 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 30.34 1yiy h ARG 423 CO 0.08 0.75 -0.13 1.57 2.80 0.00 0.00 179.97 185.05 1yiy h LYS 424 N 0.79 0.89 -0.75 0.20 -0.00 -1.53 0.60 116.57 116.76 1yiy h LYS 424 Ca 0.19 -0.32 -0.03 0.00 -0.00 0.00 0.00 60.65 60.49 1yiy h LYS 424 Cb 0.23 -0.06 -0.03 0.00 -0.00 0.00 0.00 32.23 32.36 1yiy h LYS 424 CO -0.01 0.96 0.34 2.35 -0.00 0.00 0.00 179.45 183.09 1yiy h TRP 425 N 0.79 1.08 0.06 0.07 7.01 -1.30 -3.24 115.95 120.43 1yiy h TRP 425 Ca 0.12 -0.05 -0.31 0.00 2.11 0.00 0.00 58.89 60.76 1yiy h TRP 425 Cb 0.65 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 1yiy h TRP 425 CO 0.04 0.80 -1.73 1.17 -2.79 0.00 0.00 178.44 175.93 1yiy n LYS 426 N -4.31 0.66 0.00 2.65 0.00 -0.78 -5.06 118.16 111.31 1yiy n LYS 426 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 58.31 58.78 1yiy n LYS 426 Cb 0.15 -1.71 0.00 0.00 0.00 0.00 0.00 35.03 33.47 1yiy n LYS 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yiy n GLY 427 N 1.71 0.97 0.38 3.14 0.00 0.20 -5.06 105.19 106.55 1yiy n GLY 427 Ca -0.34 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1yiy n GLY 427 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1yiy h SER 428 N 0.00 -1.02 0.00 1.61 0.87 -1.69 -3.49 113.55 109.82 1yiy h SER 428 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1yiy h SER 428 Cb 0.00 0.33 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1yiy h SER 428 CO 0.00 -0.53 0.00 -0.24 -0.53 0.00 0.00 176.83 175.53