#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 0.00 0.00 5.58 -0.00 -1.26 -5.10 117.46 116.68 1yiy n PHE 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1yiy n PHE 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1yiy n PHE 13 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1yiy n ASP 14 N 0.00 0.00 -4.82 -2.13 3.85 -1.26 -5.14 116.55 107.06 1yiy n ASP 14 Ca 0.00 0.00 -0.38 0.00 -0.71 0.00 0.00 54.79 53.70 1yiy n ASP 14 Cb 0.00 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.71 1yiy n ASP 14 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1yiy s LEU 15 N 0.00 4.44 0.45 -2.12 1.02 -1.26 -4.97 118.68 116.25 1yiy s LEU 15 Ca 0.00 0.91 0.23 0.00 0.02 0.00 0.00 54.13 55.28 1yiy s LEU 15 Cb 0.00 -2.57 1.22 0.00 0.02 0.00 0.00 46.19 44.86 1yiy s LEU 15 CO 0.00 0.29 1.84 -0.65 0.02 0.00 0.00 176.35 177.85 1yiy h PRO 16 N 5.02 0.26 0.00 1.29 0.11 -2.01 -3.40 132.00 133.28 1yiy h PRO 16 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1yiy h PRO 16 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1yiy h PRO 16 CO 0.63 0.18 0.00 0.36 -0.21 0.00 0.00 178.00 178.96 1yiy n LYS 17 N -4.45 0.00 -2.46 1.05 2.85 -1.26 -4.95 118.16 108.94 1yiy n LYS 17 Ca 0.21 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.41 1yiy n LYS 17 Cb 0.84 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 35.24 1yiy n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1yiy n ARG 18 N 0.00 -2.10 -2.64 -1.58 3.00 -1.26 -5.06 116.66 107.01 1yiy n ARG 18 Ca 0.00 0.27 -0.16 0.00 -0.01 0.00 0.00 57.85 57.94 1yiy n ARG 18 Cb 0.00 -3.56 0.06 0.00 0.00 0.00 0.00 32.46 28.96 1yiy n ARG 18 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1yiy n TYR 19 N -2.03 -2.43 0.03 -1.55 4.19 -1.26 -5.04 117.16 109.07 1yiy n TYR 19 Ca -0.09 -1.77 0.08 0.00 3.31 0.00 0.00 57.90 59.43 1yiy n TYR 19 Cb 0.55 -0.47 -0.09 0.00 0.49 0.00 0.00 39.34 39.82 1yiy n TYR 19 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1yiy n GLN 20 N -2.09 0.64 -3.72 2.98 3.00 -1.26 -4.93 117.38 112.00 1yiy n GLN 20 Ca 0.14 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.84 1yiy n GLN 20 Cb 0.50 -1.68 0.02 0.00 0.00 0.00 0.00 30.24 29.08 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 1.29 -1.08 2.29 1.08 0.00 -1.26 -4.72 105.19 102.78 1yiy n GLY 21 Ca -0.06 0.47 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.44 3.42 0.30 1.61 2.88 -1.26 -4.44 113.62 113.70 1yiy n SER 22 Ca -0.15 -2.12 0.20 0.00 -1.33 0.00 0.00 58.87 55.48 1yiy n SER 22 Cb 0.60 -0.88 0.97 0.00 -0.75 0.00 0.00 64.21 64.16 1yiy n SER 22 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1yiy h THR 23 N 2.62 0.00 0.00 2.46 1.35 -2.05 -2.57 112.91 114.71 1yiy h THR 23 Ca 0.19 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1yiy h THR 23 Cb 0.74 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1yiy h THR 23 CO 0.56 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.12 1yiy n LYS 24 N -3.02 0.30 -1.85 4.72 4.01 -1.26 -4.77 118.16 116.29 1yiy n LYS 24 Ca -0.01 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.39 1yiy n LYS 24 Cb 0.16 -1.29 -0.03 0.00 -0.51 0.00 0.00 35.03 33.36 1yiy n LYS 24 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1yiy s SER 25 N 0.50 5.21 0.43 4.39 0.15 -0.97 -4.88 113.70 118.53 1yiy s SER 25 Ca 0.00 0.96 0.21 0.00 0.70 0.00 0.00 55.95 57.82 1yiy s SER 25 Cb 0.00 -2.52 1.17 0.00 -1.71 0.00 0.00 66.02 62.96 1yiy s SER 25 CO 0.00 -2.31 1.82 -0.37 1.20 0.00 0.00 173.24 173.58 1yiy h VAL 26 N 7.12 0.58 -0.29 4.45 -1.51 -1.92 -2.81 116.25 121.87 1yiy h VAL 26 Ca -0.29 -0.11 0.01 0.00 -1.23 0.00 0.00 66.70 65.08 1yiy h VAL 26 Cb 1.20 0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 1yiy h VAL 26 CO 1.13 0.06 0.16 -0.50 -1.23 0.00 0.00 177.57 177.19 1yiy h TRP 27 N 0.33 0.30 -0.50 5.19 -0.00 -1.96 -1.07 115.95 118.24 1yiy h TRP 27 Ca 0.53 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.41 1yiy h TRP 27 Cb 1.46 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 30.50 1yiy h TRP 27 CO -0.00 0.17 0.25 -0.24 -0.00 0.00 0.00 178.44 178.62 1yiy h VAL 28 N 0.33 1.19 -0.34 1.49 3.04 -1.88 0.12 116.25 120.21 1yiy h VAL 28 Ca 0.12 -0.52 0.06 0.00 -1.01 0.00 0.00 66.70 65.35 1yiy h VAL 28 Cb 0.02 0.62 -0.05 0.00 -2.01 0.00 0.00 31.29 29.86 1yiy h VAL 28 CO -0.07 0.21 0.02 -0.08 -1.01 0.00 0.00 177.57 176.64 1yiy h GLU 29 N 0.66 0.12 0.00 4.17 4.81 -1.62 -2.19 114.58 120.52 1yiy h GLU 29 Ca 0.17 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 1yiy h GLU 29 Cb 0.10 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1yiy h GLU 29 CO -0.02 0.08 -0.87 1.88 -0.73 0.00 0.00 179.01 179.35 1yiy h TYR 30 N 0.12 0.00 -0.42 0.92 0.05 -0.65 -2.36 116.97 114.62 1yiy h TYR 30 Ca 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1yiy h TYR 30 Cb 0.21 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1yiy h TYR 30 CO -0.22 0.87 0.22 0.82 -1.05 0.00 0.00 178.16 178.79 1yiy h ILE 31 N 0.00 1.17 -0.59 -2.88 5.03 -0.64 -1.08 117.51 118.51 1yiy h ILE 31 Ca -0.01 -0.46 0.04 0.00 -0.12 0.00 0.00 64.86 64.32 1yiy h ILE 31 Cb 1.65 0.70 -0.05 0.00 -3.03 0.00 0.00 36.82 36.09 1yiy h ILE 31 CO 0.11 0.18 0.34 -0.61 -0.68 0.00 0.00 178.15 177.49 1yiy h GLN 32 N 0.54 0.63 -0.46 2.37 4.15 -1.38 -1.15 115.11 119.81 1yiy h GLN 32 Ca 0.15 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1yiy h GLN 32 Cb 0.09 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1yiy h GLN 32 CO -0.02 0.42 0.28 1.25 -1.93 0.00 0.00 178.83 178.83 1yiy h LEU 33 N 0.65 0.55 -0.58 -2.39 5.85 -1.19 -1.81 115.31 116.39 1yiy h LEU 33 Ca 0.25 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 1yiy h LEU 33 Cb 0.11 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1yiy h LEU 33 CO -0.14 0.44 -0.26 0.00 -0.34 0.00 0.00 178.44 178.15 1yiy h ALA 34 N 1.13 0.77 -0.99 1.25 0.00 -0.93 -1.57 119.26 118.93 1yiy h ALA 34 Ca 0.17 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1yiy h ALA 34 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1yiy h ALA 34 CO -0.03 0.65 0.65 0.00 0.00 0.00 0.00 179.25 180.52 1yiy h ALA 35 N 0.97 1.28 -0.00 0.00 0.00 -1.04 0.35 119.26 120.82 1yiy h ALA 35 Ca 0.09 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 1yiy h ALA 35 Cb 0.80 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1yiy h ALA 35 CO 0.07 0.66 -0.95 1.96 0.00 0.00 0.00 179.25 180.99 1yiy h GLN 36 N 1.34 0.46 -0.00 0.00 7.50 -0.98 -3.35 115.11 120.08 1yiy h GLN 36 Ca 0.36 -0.49 0.00 0.00 0.50 0.00 0.00 58.65 59.02 1yiy h GLN 36 Cb -0.14 0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.52 1yiy h GLN 36 CO -0.08 1.14 -0.40 0.66 -1.50 0.00 0.00 178.83 178.65 1yiy n TYR 37 N -3.76 0.00 -3.92 2.96 4.01 -0.62 -5.03 117.16 110.79 1yiy n TYR 37 Ca -0.07 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.31 1yiy n TYR 37 Cb 0.84 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.88 1yiy n TYR 37 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1yiy n LYS 38 N -0.76 -0.72 -2.25 -0.72 5.02 0.12 -4.95 118.16 113.90 1yiy n LYS 38 Ca 0.04 0.27 -0.25 0.00 -2.02 0.00 0.00 58.31 56.34 1yiy n LYS 38 Cb 0.22 -2.08 0.07 0.00 -0.02 0.00 0.00 35.03 33.22 1yiy n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1yiy s PRO 39 N -6.27 2.22 -0.21 1.97 0.04 -1.26 -4.97 135.00 126.52 1yiy s PRO 39 Ca 0.27 -0.32 -0.29 0.00 0.04 0.00 0.00 61.00 60.71 1yiy s PRO 39 Cb -0.15 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1yiy s PRO 39 CO 0.86 -1.19 2.21 -0.11 0.04 0.00 0.00 177.00 178.81 1yiy n LEU 40 N -2.87 3.25 -4.45 -3.56 0.00 0.22 -4.86 117.00 104.74 1yiy n LEU 40 Ca 0.08 0.26 -0.44 0.00 0.00 0.00 0.00 56.01 55.91 1yiy n LEU 40 Cb 0.60 -1.54 -0.05 0.00 0.00 0.00 0.00 43.42 42.43 1yiy n LEU 40 CO 0.51 -0.64 0.44 0.21 0.00 0.00 0.00 177.39 177.92 1yiy s ASN 41 N 8.03 6.23 -0.29 1.96 3.84 -1.26 -1.34 114.94 132.12 1yiy s ASN 41 Ca 1.01 -0.90 0.10 0.00 0.21 0.00 0.00 52.86 53.28 1yiy s ASN 41 Cb -0.37 -2.32 0.73 0.00 -0.55 0.00 0.00 41.25 38.73 1yiy s ASN 41 CO 0.36 -1.01 1.74 0.18 -2.79 0.00 0.00 177.10 175.58 1yiy n LEU 42 N 6.50 5.80 -0.06 3.21 4.32 -0.36 -4.50 117.00 131.92 1yiy n LEU 42 Ca -0.05 -3.00 0.05 0.00 -0.02 0.00 0.00 56.01 52.98 1yiy n LEU 42 Cb 0.45 -0.72 0.06 0.00 -1.62 0.00 0.00 43.42 41.60 1yiy n LEU 42 CO 0.57 0.73 0.51 0.61 -1.22 0.00 0.00 177.39 178.59 1yiy n GLY 43 N 0.09 3.46 0.09 -0.72 0.00 -1.17 -0.71 105.19 106.22 1yiy n GLY 43 Ca 0.35 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1yiy n GLY 43 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1yiy h GLN 44 N 0.00 0.14 0.00 1.61 1.08 -1.93 -3.48 115.11 112.54 1yiy h GLN 44 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1yiy h GLN 44 Cb 0.80 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1yiy h GLN 44 CO 0.00 0.80 0.00 0.41 -0.95 0.00 0.00 178.83 179.09 1yiy n GLY 45 N 0.79 0.86 3.42 3.46 0.00 -1.26 -5.08 105.19 107.38 1yiy n GLY 45 Ca -0.09 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 -0.00 0.45 1.61 -0.12 -1.26 -5.07 117.98 111.59 1yiy s PHE 46 Ca 0.00 -0.35 -0.24 0.00 -0.05 0.00 0.00 56.93 56.30 1yiy s PHE 46 Cb 0.00 0.24 -0.07 0.00 -0.63 0.00 0.00 43.02 42.55 1yiy s PHE 46 CO 0.00 -0.81 1.20 -1.25 -0.05 0.00 0.00 175.22 174.31 1yiy s PRO 47 N -3.88 3.78 -0.20 1.99 0.04 -1.26 -4.85 135.00 130.63 1yiy s PRO 47 Ca 0.10 1.88 0.12 0.00 0.04 0.00 0.00 61.00 63.13 1yiy s PRO 47 Cb 0.01 -2.49 0.69 0.00 0.04 0.00 0.00 34.50 32.75 1yiy s PRO 47 CO -0.04 -0.56 1.55 -0.40 0.04 0.00 0.00 177.00 177.58 1yiy n ASP 48 N -0.35 4.97 -2.52 6.66 5.68 -1.21 -4.91 116.55 124.86 1yiy n ASP 48 Ca 0.07 -2.77 -0.13 0.00 -0.50 0.00 0.00 54.79 51.45 1yiy n ASP 48 Cb 0.47 -0.66 -0.05 0.00 -1.14 0.00 0.00 41.12 39.74 1yiy n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yiy n TYR 49 N 0.53 -0.38 -2.72 2.11 4.11 -1.26 -4.80 117.16 114.74 1yiy n TYR 49 Ca 0.23 -1.75 -0.37 0.00 -0.00 0.00 0.00 57.90 56.01 1yiy n TYR 49 Cb 1.04 0.15 -0.06 0.00 -0.00 0.00 0.00 39.34 40.47 1yiy n TYR 49 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 1yiy s HIS 50 N -2.79 3.65 0.89 -3.48 3.76 -1.26 -5.07 115.29 111.00 1yiy s HIS 50 Ca 0.23 1.77 -0.12 0.00 -0.15 0.00 0.00 55.06 56.79 1yiy s HIS 50 Cb 0.01 -2.98 0.13 0.00 1.11 0.00 0.00 32.58 30.85 1yiy s HIS 50 CO 0.16 0.06 1.13 0.00 -0.85 0.00 0.00 174.74 175.24 1yiy s ALA 51 N -1.55 1.81 0.15 -1.40 0.00 -1.26 -4.95 121.76 114.55 1yiy s ALA 51 Ca 0.50 -0.45 -0.34 0.00 0.00 0.00 0.00 51.96 51.67 1yiy s ALA 51 Cb -0.21 -3.05 -0.15 0.00 0.00 0.00 0.00 23.12 19.71 1yiy s ALA 51 CO 0.26 -2.22 1.44 -2.30 0.00 0.00 0.00 175.76 172.94 1yiy n PRO 52 N -3.73 1.74 0.10 0.00 -0.02 -1.26 -4.85 135.00 126.97 1yiy n PRO 52 Ca 0.07 0.62 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 1yiy n PRO 52 Cb 0.58 -2.31 0.55 0.00 -0.02 0.00 0.00 33.50 32.31 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 4.96 0.24 -0.52 -0.52 1.63 -1.99 -1.86 116.57 118.51 1yiy h LYS 53 Ca -0.46 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.27 1yiy h LYS 53 Cb 1.29 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 1yiy h LYS 53 CO 0.81 0.16 0.08 0.10 -3.45 0.00 0.00 179.45 177.15 1yiy h TYR 54 N 0.25 0.85 0.19 1.91 -0.00 -1.99 0.08 116.97 118.26 1yiy h TYR 54 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 58.73 58.74 1yiy h TYR 54 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 36.73 36.64 1yiy h TYR 54 CO -0.00 0.74 -0.09 0.00 -0.00 0.00 0.00 178.16 178.81 1yiy h ALA 55 N 1.31 -0.26 -0.68 0.10 0.00 -1.70 -1.59 119.26 116.44 1yiy h ALA 55 Ca 0.16 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1yiy h ALA 55 Cb 0.35 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1yiy h ALA 55 CO 0.01 -0.51 0.33 -0.07 0.00 0.00 0.00 179.25 179.01 1yiy h LEU 56 N -0.54 0.41 -1.43 0.00 3.38 -1.41 -1.37 115.31 114.35 1yiy h LEU 56 Ca -0.03 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1yiy h LEU 56 Cb 0.40 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1yiy h LEU 56 CO 0.04 0.24 -0.26 0.78 0.09 0.00 0.00 178.44 179.33 1yiy h ASN 57 N 0.56 0.03 -0.65 -0.43 -0.26 -0.87 -2.21 115.58 111.75 1yiy h ASN 57 Ca 0.33 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 56.02 1yiy h ASN 57 Cb 0.35 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.58 1yiy h ASN 57 CO -0.27 0.29 0.24 0.00 -1.06 0.00 0.00 177.43 176.64 1yiy h ALA 58 N 1.71 1.16 -0.17 -0.83 0.00 -0.23 0.22 119.26 121.12 1yiy h ALA 58 Ca 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1yiy h ALA 58 Cb 0.48 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1yiy h ALA 58 CO 0.03 0.60 -0.21 1.25 0.00 0.00 0.00 179.25 180.92 1yiy h LEU 59 N 0.98 0.48 -0.90 0.00 6.46 -1.01 -1.08 115.31 120.25 1yiy h LEU 59 Ca 0.22 -0.50 0.05 0.00 -0.12 0.00 0.00 57.88 57.53 1yiy h LEU 59 Cb 0.23 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 1yiy h LEU 59 CO -0.02 0.89 0.57 0.00 -0.62 0.00 0.00 178.44 179.26 1yiy h ALA 60 N 0.61 1.21 -0.14 1.25 0.00 -1.26 -0.22 119.26 120.71 1yiy h ALA 60 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1yiy h ALA 60 Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1yiy h ALA 60 CO 0.05 0.37 -0.34 0.00 0.00 0.00 0.00 179.25 179.34 1yiy h ALA 61 N 1.40 1.17 -0.34 0.00 0.00 -0.77 -1.00 119.26 119.73 1yiy h ALA 61 Ca 0.38 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1yiy h ALA 61 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yiy h ALA 61 CO -0.15 0.54 -0.39 0.00 0.00 0.00 0.00 179.25 179.26 1yiy h ALA 62 N 1.41 0.68 -0.66 0.00 0.00 -0.54 -1.01 119.26 119.14 1yiy h ALA 62 Ca 0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1yiy h ALA 62 Cb 0.72 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1yiy h ALA 62 CO 0.05 0.67 0.18 0.00 0.00 0.00 0.00 179.25 180.15 1yiy h ALA 63 N 0.90 1.08 -0.51 0.00 0.00 -0.60 -2.47 119.26 117.66 1yiy h ALA 63 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1yiy h ALA 63 Cb 0.95 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1yiy h ALA 63 CO 0.09 0.62 0.00 0.09 0.00 0.00 0.00 179.25 180.05 1yiy n ASN 64 N -4.25 4.62 -4.75 0.00 3.02 -0.42 -4.98 115.26 108.51 1yiy n ASN 64 Ca 0.05 -2.61 -0.39 0.00 -0.03 0.00 0.00 54.58 51.60 1yiy n ASN 64 Cb 0.23 -0.61 0.04 0.00 -0.61 0.00 0.00 39.78 38.84 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 0.70 2.84 0.01 6.41 2.88 -0.40 -4.88 113.62 121.17 1yiy n SER 65 Ca 0.23 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.91 1yiy n SER 65 Cb 0.93 -1.58 0.53 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.76 0.01 -3.08 -1.46 -0.04 -1.26 -4.67 135.00 123.75 1yiy n PRO 66 Ca 0.09 0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 1yiy n PRO 66 Cb 0.44 -1.52 -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 -3.09 6.55 0.52 3.54 2.15 -1.26 -4.92 116.67 120.16 1yiy s ASP 67 Ca 0.12 0.54 0.25 0.00 0.43 0.00 0.00 52.55 53.89 1yiy s ASP 67 Cb 0.16 -2.35 1.44 0.00 -0.30 0.00 0.00 42.92 41.88 1yiy s ASP 67 CO 0.46 -0.48 2.10 1.55 -0.17 0.00 0.00 175.17 178.64 1yiy h PRO 68 N 8.10 0.00 0.00 4.34 0.13 -2.01 -1.00 132.00 141.56 1yiy h PRO 68 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1yiy h PRO 68 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1yiy h PRO 68 CO 0.81 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.96 1yiy n LEU 69 N -3.85 0.00 0.29 1.56 4.32 -1.26 -3.53 117.00 114.53 1yiy n LEU 69 Ca -0.02 0.24 0.18 0.00 -0.02 0.00 0.00 56.01 56.38 1yiy n LEU 69 Cb 0.20 -0.24 0.80 0.00 -1.62 0.00 0.00 43.42 42.56 1yiy n LEU 69 CO 0.31 -0.04 1.02 0.00 -1.22 0.00 0.00 177.39 177.46 1yiy h ALA 70 N 3.28 1.03 0.00 -1.18 0.00 -1.53 -2.83 119.26 118.04 1yiy h ALA 70 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1yiy h ALA 70 Cb 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1yiy h ALA 70 CO 0.00 0.04 -0.23 0.09 0.00 0.00 0.00 179.25 179.15 1yiy n ASN 71 N -3.17 1.92 -4.74 0.00 4.13 -1.23 -3.57 115.26 108.59 1yiy n ASN 71 Ca -0.01 -3.19 -0.25 0.00 1.68 0.00 0.00 54.58 52.81 1yiy n ASN 71 Cb 0.25 -0.43 -0.07 0.00 -1.54 0.00 0.00 39.78 37.99 1yiy n ASN 71 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1yiy s GLN 72 N -2.63 2.22 0.06 3.52 -1.52 -1.07 -4.98 119.66 115.27 1yiy s GLN 72 Ca 0.31 -1.88 -0.37 0.00 -1.95 0.00 0.00 55.36 51.47 1yiy s GLN 72 Cb 0.29 -1.96 -0.18 0.00 -0.22 0.00 0.00 33.01 30.93 1yiy s GLN 72 CO -0.01 -0.14 1.09 0.66 -0.25 0.00 0.00 175.29 176.63 1yiy n TYR 73 N -1.25 0.80 -4.03 0.91 4.01 -1.26 -4.73 117.16 111.60 1yiy n TYR 73 Ca -0.02 0.91 -0.25 0.00 -0.16 0.00 0.00 57.90 58.38 1yiy n TYR 73 Cb 0.65 -2.15 -0.05 0.00 -0.31 0.00 0.00 39.34 37.47 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 -0.02 2.07 0.00 -0.72 -1.32 -1.26 -5.07 115.64 109.33 1yiy s THR 74 Ca 0.85 -1.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 1yiy s THR 74 Cb -1.11 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 1yiy s THR 74 CO 0.54 0.00 0.01 -1.14 -2.21 0.00 0.00 174.62 171.82 1yiy n ARG 75 N -1.43 0.00 0.00 7.08 0.63 -1.26 -4.85 116.66 116.82 1yiy n ARG 75 Ca -0.02 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1yiy n ARG 75 Cb 0.64 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 33.51 1yiy n ARG 75 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yiy n GLY 76 N -0.20 -0.00 0.00 5.14 0.00 -1.26 -4.87 105.19 103.99 1yiy n GLY 76 Ca 0.00 0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.39 1yiy n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yiy n PHE 77 N 0.00 0.00 0.00 1.61 3.72 -1.26 -4.38 117.46 117.15 1yiy n PHE 77 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1yiy n PHE 77 Cb 0.00 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 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 1.11 4.06 3.66 1.37 0.00 -1.26 -1.22 105.19 112.91 1yiy n GLY 78 Ca 0.12 -0.48 -0.50 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.43 2.08 -0.18 1.61 -0.00 -1.26 -4.56 115.22 112.48 1yiy n HIS 79 Ca 0.00 0.32 -0.01 0.00 0.46 0.00 0.00 57.72 58.49 1yiy n HIS 79 Cb 0.00 -2.51 0.09 0.00 -0.12 0.00 0.00 29.99 27.44 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 6.62 0.26 -0.60 1.57 0.11 -1.99 0.12 132.00 138.10 1yiy h PRO 80 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1yiy h PRO 80 Cb 1.29 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1yiy h PRO 80 CO 0.89 0.17 0.40 -0.09 -0.21 0.00 0.00 178.00 179.16 1yiy h ARG 81 N 0.27 0.62 -0.02 1.05 2.43 -1.95 -1.59 114.38 115.20 1yiy h ARG 81 Ca 0.28 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1yiy h ARG 81 Cb 0.39 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1yiy h ARG 81 CO -0.35 0.41 -0.18 1.25 -1.51 0.00 0.00 179.97 179.59 1yiy h LEU 82 N 0.64 0.19 -1.15 3.80 6.46 -1.11 -2.89 115.31 121.24 1yiy h LEU 82 Ca 0.25 -0.71 -0.09 0.00 -0.12 0.00 0.00 57.88 57.21 1yiy h LEU 82 Cb 0.18 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1yiy h LEU 82 CO -0.07 0.87 -0.35 -0.37 -0.62 0.00 0.00 178.44 177.91 1yiy h VAL 83 N -0.48 1.27 0.09 1.05 -1.51 -0.77 -0.40 116.25 115.50 1yiy h VAL 83 Ca -0.02 -1.30 -0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1yiy h VAL 83 Cb 0.89 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1yiy h VAL 83 CO 0.04 0.38 -0.04 1.56 -1.23 0.00 0.00 177.57 178.28 1yiy h GLN 84 N 0.12 -0.11 -0.81 5.19 1.08 -1.38 -0.79 115.11 118.41 1yiy h GLN 84 Ca 0.01 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1yiy h GLN 84 Cb 0.68 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.09 1yiy h GLN 84 CO 0.05 -0.02 0.50 0.00 -0.95 0.00 0.00 178.83 178.41 1yiy h ALA 85 N 0.73 1.04 -0.45 3.87 0.00 -1.20 -0.75 119.26 122.50 1yiy h ALA 85 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1yiy h ALA 85 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1yiy h ALA 85 CO 0.02 0.49 0.02 -0.07 0.00 0.00 0.00 179.25 179.71 1yiy h LEU 86 N 1.11 0.76 -0.69 0.00 -0.00 -0.97 -1.64 115.31 113.89 1yiy h LEU 86 Ca 0.29 -0.29 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 1yiy h LEU 86 Cb -0.06 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 40.35 1yiy h LEU 86 CO -0.06 0.87 0.42 -1.28 -0.00 0.00 0.00 178.44 178.39 1yiy h SER 87 N 0.64 0.68 -0.90 -0.43 0.87 -0.88 -0.41 113.55 113.10 1yiy h SER 87 Ca 0.13 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1yiy h SER 87 Cb 0.46 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 1yiy h SER 87 CO 0.02 0.46 0.57 0.11 -0.53 0.00 0.00 176.83 177.46 1yiy h LYS 88 N 0.81 1.21 0.31 2.24 1.57 -0.70 0.29 116.57 122.31 1yiy h LYS 88 Ca 0.29 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1yiy h LYS 88 Cb 0.06 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1yiy h LYS 88 CO -0.13 0.83 -0.15 1.25 -0.57 0.00 0.00 179.45 180.69 1yiy h LEU 89 N 1.24 -0.35 -1.19 2.94 5.85 -0.93 -3.29 115.31 119.57 1yiy h LEU 89 Ca 0.33 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1yiy h LEU 89 Cb -0.09 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1yiy h LEU 89 CO -0.06 0.11 -0.15 1.88 -0.34 0.00 0.00 178.44 179.88 1yiy h TYR 90 N -0.97 0.00 -0.73 1.25 0.05 -1.09 -2.33 116.97 113.15 1yiy h TYR 90 Ca -0.04 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.76 1yiy h TYR 90 Cb 0.49 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 1yiy h TYR 90 CO 0.04 0.15 0.48 0.77 -1.05 0.00 0.00 178.16 178.55 1yiy h SER 91 N 0.00 0.79 0.78 3.88 0.02 -1.03 -0.96 113.55 117.03 1yiy h SER 91 Ca -0.00 -0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.69 1yiy h SER 91 Cb 0.68 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1yiy h SER 91 CO 0.02 0.56 -1.12 1.56 -1.14 0.00 0.00 176.83 176.71 1yiy h GLN 92 N 0.92 0.15 0.00 3.45 1.08 -1.50 -1.99 115.11 117.23 1yiy h GLN 92 Ca 0.28 -0.25 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1yiy h GLN 92 Cb -0.00 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1yiy h GLN 92 CO -0.07 1.11 -0.47 -0.07 -0.95 0.00 0.00 178.83 178.38 1yiy h LEU 93 N 0.05 0.00 -2.22 1.46 4.07 -1.06 -3.13 115.31 114.48 1yiy h LEU 93 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1yiy h LEU 93 Cb 1.86 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.60 1yiy h LEU 93 CO 0.17 0.47 0.00 1.33 -1.08 0.00 0.00 178.44 179.32 1yiy n VAL 94 N -3.79 0.58 -3.72 1.22 0.24 -0.42 -5.00 118.33 107.44 1yiy n VAL 94 Ca -0.01 -0.79 -0.26 0.00 -2.04 0.00 0.00 64.34 61.24 1yiy n VAL 94 Cb 0.52 0.76 0.03 0.00 -1.47 0.00 0.00 33.84 33.67 1yiy n VAL 94 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1yiy n ASP 95 N 0.12 -2.98 -3.67 -1.34 2.03 -0.81 -4.92 116.55 104.97 1yiy n ASP 95 Ca 0.05 -0.94 -0.11 0.00 0.52 0.00 0.00 54.79 54.31 1yiy n ASP 95 Cb 0.25 -3.62 -0.09 0.00 -0.72 0.00 0.00 41.12 36.95 1yiy n ASP 95 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1yiy s ARG 96 N -6.01 0.62 -0.46 -0.67 3.52 -0.83 -5.05 118.95 110.07 1yiy s ARG 96 Ca 0.22 0.91 -0.29 0.00 -0.13 0.00 0.00 55.73 56.45 1yiy s ARG 96 Cb -0.07 0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.54 1yiy s ARG 96 CO 0.85 -0.12 1.27 0.95 -0.81 0.00 0.00 175.30 177.44 1yiy s THR 97 N 0.90 4.04 -0.18 4.11 -4.23 -1.26 -4.26 115.64 114.77 1yiy s THR 97 Ca -0.05 1.05 -0.22 0.00 -1.18 0.00 0.00 61.69 61.29 1yiy s THR 97 Cb -0.05 -4.44 -0.02 0.00 1.34 0.00 0.00 72.50 69.33 1yiy s THR 97 CO -0.08 -0.94 0.69 -0.63 -0.54 0.00 0.00 174.62 173.12 1yiy s ILE 98 N 4.99 4.98 -0.24 2.99 1.01 -1.26 -5.01 121.20 128.67 1yiy s ILE 98 Ca 0.53 1.33 -0.29 0.00 0.00 0.00 0.00 60.65 62.23 1yiy s ILE 98 Cb -0.10 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1yiy s ILE 98 CO 0.32 0.10 1.86 0.21 0.00 0.00 0.00 174.94 177.42 1yiy s ASN 99 N 1.15 5.99 0.46 3.58 3.84 -1.26 -4.82 114.94 123.89 1yiy s ASN 99 Ca 0.32 1.66 0.22 0.00 0.21 0.00 0.00 52.86 55.28 1yiy s ASN 99 Cb -0.16 -2.52 1.14 0.00 -0.55 0.00 0.00 41.25 39.15 1yiy s ASN 99 CO 0.11 -1.57 1.96 1.55 -2.79 0.00 0.00 177.10 176.37 1yiy h PRO 100 N 12.51 0.00 0.06 0.43 0.13 -1.92 0.40 132.00 143.61 1yiy h PRO 100 Ca -0.37 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.45 1yiy h PRO 100 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1yiy h PRO 100 CO 1.00 0.21 -1.75 0.52 -0.23 0.00 0.00 178.00 177.75 1yiy h MET 101 N 0.00 0.13 0.00 0.86 2.86 -1.89 -3.38 114.93 113.51 1yiy h MET 101 Ca -0.00 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1yiy h MET 101 Cb 0.49 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1yiy h MET 101 CO 0.03 0.85 -0.59 0.25 1.06 0.00 0.00 176.91 178.52 1yiy n THR 102 N -3.27 0.00 -1.15 2.22 -2.24 -1.10 -4.67 114.28 104.07 1yiy n THR 102 Ca -0.21 -0.29 0.09 0.00 -2.27 0.00 0.00 64.05 61.37 1yiy n THR 102 Cb 1.05 0.83 0.15 0.00 -2.10 0.00 0.00 70.33 70.25 1yiy n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yiy n GLU 103 N -1.31 1.32 -3.80 -0.78 1.02 0.14 -4.17 120.64 113.06 1yiy n GLU 103 Ca 0.01 -2.68 -0.13 0.00 -0.02 0.00 0.00 57.16 54.34 1yiy n GLU 103 Cb 0.13 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 29.91 1yiy n GLU 103 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1yiy s VAL 104 N -2.92 -0.01 -0.07 2.62 1.01 -1.23 -2.45 120.40 117.36 1yiy s VAL 104 Ca 0.33 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1yiy s VAL 104 Cb 0.29 -0.28 0.04 0.00 0.00 0.00 0.00 36.38 36.44 1yiy s VAL 104 CO 0.02 0.01 0.12 -0.22 0.00 0.00 0.00 175.10 175.02 1yiy s LEU 105 N 0.26 0.02 0.18 3.92 2.96 -0.84 -4.78 118.68 120.40 1yiy s LEU 105 Ca -0.01 0.22 -0.21 0.00 -0.22 0.00 0.00 54.13 53.91 1yiy s LEU 105 Cb -0.03 0.09 -0.08 0.00 0.50 0.00 0.00 46.19 46.68 1yiy s LEU 105 CO -0.01 -0.25 0.70 0.54 -1.32 0.00 0.00 176.35 176.01 1yiy s VAL 106 N 2.24 4.57 0.14 1.68 0.11 -0.36 -2.08 120.40 126.70 1yiy s VAL 106 Ca 0.04 1.35 -0.01 0.00 -2.93 0.00 0.00 61.98 60.43 1yiy s VAL 106 Cb -0.12 -3.93 -0.04 0.00 -1.53 0.00 0.00 36.38 30.76 1yiy s VAL 106 CO -0.05 0.35 0.06 0.42 -3.33 0.00 0.00 175.10 172.55 1yiy s THR 107 N -1.35 0.13 -0.88 5.04 -4.23 -0.39 -4.64 115.64 109.32 1yiy s THR 107 Ca 0.38 -1.92 -0.25 0.00 -1.18 0.00 0.00 61.69 58.73 1yiy s THR 107 Cb -0.19 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 1yiy s THR 107 CO 0.22 -0.43 1.78 -0.69 -0.54 0.00 0.00 174.62 174.95 1yiy s VAL 108 N -4.03 3.56 0.22 2.29 1.01 -1.26 -1.09 120.40 121.11 1yiy s VAL 108 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1yiy s VAL 108 Cb 0.07 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1yiy s VAL 108 CO 0.03 -1.23 0.00 0.61 0.00 0.00 0.00 175.10 174.50 1yiy n GLY 109 N 6.63 -2.17 0.31 4.51 0.00 -0.80 -2.01 105.19 111.65 1yiy n GLY 109 Ca 0.34 -1.32 0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.66 1.69 -0.08 4.61 0.00 -1.80 -2.87 119.26 120.15 1yiy h ALA 110 Ca -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yiy h ALA 110 Cb 0.64 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1yiy h ALA 110 CO 0.02 -0.11 0.05 -0.92 0.00 0.00 0.00 179.25 178.29 1yiy h TYR 111 N 0.00 0.10 0.00 0.00 5.03 -1.93 -0.18 116.97 119.98 1yiy h TYR 111 Ca 0.03 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.23 1yiy h TYR 111 Cb 0.18 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1yiy h TYR 111 CO 0.00 0.10 -0.52 1.49 -1.32 0.00 0.00 178.16 177.91 1yiy h GLU 112 N 0.07 0.00 -0.56 1.82 4.22 -1.19 -1.65 114.58 117.29 1yiy h GLU 112 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 1yiy h GLU 112 Cb 0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1yiy h GLU 112 CO -0.01 0.52 0.31 0.00 -2.18 0.00 0.00 179.01 177.66 1yiy h ALA 113 N 1.48 0.71 0.14 2.92 0.00 -1.36 0.70 119.26 123.86 1yiy h ALA 113 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1yiy h ALA 113 Cb 1.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1yiy h ALA 113 CO 0.07 0.22 -0.07 -0.07 0.00 0.00 0.00 179.25 179.40 1yiy h LEU 114 N 0.75 -0.16 -0.60 0.00 -0.00 -0.66 -1.53 115.31 113.11 1yiy h LEU 114 Ca 0.20 -0.02 0.10 0.00 -0.00 0.00 0.00 57.88 58.15 1yiy h LEU 114 Cb 0.03 0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 40.66 1yiy h LEU 114 CO -0.03 -0.09 0.20 0.22 -0.00 0.00 0.00 178.44 178.74 1yiy h TYR 115 N -0.23 0.35 -0.09 1.13 3.20 -1.07 -0.40 116.97 119.87 1yiy h TYR 115 Ca -0.02 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1yiy h TYR 115 Cb 0.18 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1yiy h TYR 115 CO -0.06 0.07 -0.44 0.00 -1.64 0.00 0.00 178.16 176.09 1yiy h ALA 116 N 1.42 1.09 -0.00 1.82 0.00 -0.70 0.61 119.26 123.50 1yiy h ALA 116 Ca 0.30 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1yiy h ALA 116 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1yiy h ALA 116 CO -0.32 0.61 -0.88 0.00 0.00 0.00 0.00 179.25 178.65 1yiy h THR 117 N 0.18 1.46 0.08 0.00 1.03 -0.66 -0.46 112.91 114.53 1yiy h THR 117 Ca 0.01 -2.53 -0.29 0.00 -0.01 0.00 0.00 66.41 63.59 1yiy h THR 117 Cb 0.85 2.42 -0.02 0.00 -1.07 0.00 0.00 68.15 70.34 1yiy h THR 117 CO 0.07 0.74 -1.52 0.16 -0.01 0.00 0.00 175.52 174.96 1yiy h ILE 118 N 0.16 1.14 -0.06 0.00 -0.00 -0.98 -2.25 117.51 115.51 1yiy h ILE 118 Ca -0.05 -2.83 -0.11 0.00 -0.00 0.00 0.00 64.86 61.86 1yiy h ILE 118 Cb 1.51 2.69 -0.01 0.00 -0.00 0.00 0.00 36.82 41.00 1yiy h ILE 118 CO 0.14 0.78 -0.48 -0.61 -0.00 0.00 0.00 178.15 177.99 1yiy h GLN 119 N 0.05 0.16 0.00 0.16 5.75 -0.96 -1.35 115.11 118.92 1yiy h GLN 119 Ca -0.23 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 1yiy h GLN 119 Cb 1.98 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.54 1yiy h GLN 119 CO 0.14 0.60 -0.67 0.41 -2.65 0.00 0.00 178.83 176.66 1yiy n GLY 120 N -0.07 -1.29 0.00 2.39 0.00 -0.18 -4.37 105.19 101.67 1yiy n GLY 120 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.81 0.00 -4.48 1.61 8.25 -0.85 -4.79 115.22 113.15 1yiy n HIS 121 Ca 0.04 -0.11 -0.31 0.00 -0.26 0.00 0.00 57.72 57.08 1yiy n HIS 121 Cb 0.39 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.33 1yiy n HIS 121 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yiy s VAL 122 N -0.22 1.82 0.43 1.59 1.01 -0.51 -4.94 120.40 119.58 1yiy s VAL 122 Ca 0.00 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1yiy s VAL 122 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 1yiy s VAL 122 CO 0.00 0.50 0.08 -1.81 0.00 0.00 0.00 175.10 173.87 1yiy s ASP 123 N 0.99 4.11 0.25 3.32 1.11 -1.26 -4.78 116.67 120.41 1yiy s ASP 123 Ca -0.04 -1.31 0.18 0.00 0.18 0.00 0.00 52.55 51.56 1yiy s ASP 123 Cb -0.15 -0.28 0.84 0.00 1.07 0.00 0.00 42.92 44.41 1yiy s ASP 123 CO -0.04 -0.56 0.88 -0.62 1.18 0.00 0.00 175.17 176.02 1yiy n GLU 124 N -1.12 -0.02 -0.25 8.23 -0.58 -1.25 -0.00 120.64 125.64 1yiy n GLU 124 Ca -0.05 0.71 0.04 0.00 -0.42 0.00 0.00 57.16 57.44 1yiy n GLU 124 Cb 0.66 -1.40 0.06 0.00 -0.57 0.00 0.00 31.44 30.19 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 -1.29 2.12 3.76 0.62 0.00 -1.24 -4.32 105.19 104.85 1yiy n GLY 125 Ca 0.23 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.66 6.85 0.02 1.61 1.01 0.10 -4.61 116.67 120.00 1yiy s ASP 126 Ca 0.13 2.55 -0.24 0.00 0.71 0.00 0.00 52.55 55.70 1yiy s ASP 126 Cb 0.11 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 1yiy s ASP 126 CO 0.01 -0.51 0.72 -0.70 0.21 0.00 0.00 175.17 174.90 1yiy s GLU 127 N -1.07 4.45 -0.17 8.23 2.12 -1.05 0.11 118.70 131.32 1yiy s GLU 127 Ca 0.52 0.97 -0.00 0.00 0.36 0.00 0.00 54.97 56.82 1yiy s GLU 127 Cb -0.38 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.68 1yiy s GLU 127 CO 0.46 0.28 -0.08 0.08 -0.54 0.00 0.00 175.26 175.46 1yiy s VAL 128 N 0.01 1.30 0.14 3.70 1.01 -0.62 -0.34 120.40 125.59 1yiy s VAL 128 Ca 0.37 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 1yiy s VAL 128 Cb -0.20 -1.40 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 1yiy s VAL 128 CO 0.21 0.21 0.67 0.27 0.00 0.00 0.00 175.10 176.46 1yiy s ILE 129 N 1.56 4.58 -0.06 2.22 -4.36 -0.65 -0.17 121.20 124.32 1yiy s ILE 129 Ca 0.01 1.38 0.03 0.00 -0.26 0.00 0.00 60.65 61.82 1yiy s ILE 129 Cb -0.15 -3.97 0.01 0.00 1.25 0.00 0.00 42.46 39.60 1yiy s ILE 129 CO -0.08 0.46 -0.15 -0.63 0.24 0.00 0.00 174.94 174.78 1yiy s ILE 130 N -1.22 1.36 -0.14 8.37 1.01 0.12 -2.43 121.20 128.28 1yiy s ILE 130 Ca 0.34 -0.63 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 1yiy s ILE 130 Cb -0.20 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1yiy s ILE 130 CO 0.22 0.40 0.48 -0.63 0.00 0.00 0.00 174.94 175.41 1yiy s ILE 131 N 0.42 5.18 0.22 2.92 1.01 -1.26 -1.64 121.20 128.05 1yiy s ILE 131 Ca -0.12 0.93 -0.08 0.00 0.00 0.00 0.00 60.65 61.38 1yiy s ILE 131 Cb -0.15 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 1yiy s ILE 131 CO 0.04 0.30 0.52 -1.61 0.00 0.00 0.00 174.94 174.19 1yiy s GLU 132 N 0.82 3.74 0.32 2.79 2.02 0.26 -3.42 118.70 125.23 1yiy s GLU 132 Ca 0.25 0.17 -0.29 0.00 0.02 0.00 0.00 54.97 55.12 1yiy s GLU 132 Cb -0.15 -2.68 -0.10 0.00 0.10 0.00 0.00 34.13 31.30 1yiy s GLU 132 CO 0.10 0.33 1.26 -2.14 0.02 0.00 0.00 175.26 174.82 1yiy s PRO 133 N -2.90 4.42 0.10 0.39 0.02 -1.26 0.66 135.00 136.42 1yiy s PRO 133 Ca 0.46 2.12 0.06 0.00 0.02 0.00 0.00 61.00 63.65 1yiy s PRO 133 Cb -0.11 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1yiy s PRO 133 CO 0.23 -0.09 -0.04 -0.59 -0.33 0.00 0.00 177.00 176.18 1yiy s PHE 134 N -1.15 2.88 0.24 6.54 -0.71 -0.11 -4.72 117.98 120.95 1yiy s PHE 134 Ca 0.48 -0.09 -0.31 0.00 -1.04 0.00 0.00 56.93 55.97 1yiy s PHE 134 Cb -0.38 -1.49 -0.13 0.00 -1.21 0.00 0.00 43.02 39.81 1yiy s PHE 134 CO 0.50 0.46 1.48 0.34 -1.34 0.00 0.00 175.22 176.66 1yiy n PHE 135 N 0.59 2.33 -0.23 3.49 -0.00 -1.26 -4.65 117.46 117.72 1yiy n PHE 135 Ca -0.12 0.36 -0.04 0.00 -0.00 0.00 0.00 57.45 57.65 1yiy n PHE 135 Cb 0.52 -2.51 -0.03 0.00 -0.00 0.00 0.00 39.48 37.47 1yiy n PHE 135 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1yiy n ASP 136 N 2.42 -0.52 0.00 -2.13 2.03 -1.26 -1.93 116.55 115.16 1yiy n ASP 136 Ca 0.12 1.01 0.12 0.00 0.52 0.00 0.00 54.79 56.55 1yiy n ASP 136 Cb 0.32 -0.17 0.52 0.00 -0.72 0.00 0.00 41.12 41.07 1yiy n ASP 136 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yiy h TYR 138 N 0.00 -0.82 -0.19 0.00 0.05 -1.75 -2.18 116.97 112.07 1yiy h TYR 138 Ca 0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1yiy h TYR 138 Cb 0.42 0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1yiy h TYR 138 CO 0.00 -0.43 -0.02 1.49 -1.05 0.00 0.00 178.16 178.15 1yiy h GLU 139 N -0.61 0.35 -0.68 4.88 4.22 -1.82 -2.20 114.58 118.73 1yiy h GLU 139 Ca -0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.31 1yiy h GLU 139 Cb 0.58 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1yiy h GLU 139 CO -0.09 0.58 0.39 -1.00 -2.18 0.00 0.00 179.01 176.71 1yiy h PRO 140 N 0.09 0.93 -0.08 0.92 0.13 -1.79 0.05 132.00 132.26 1yiy h PRO 140 Ca 0.05 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1yiy h PRO 140 Cb 0.43 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 1yiy h PRO 140 CO 0.01 0.66 0.01 0.52 -0.23 0.00 0.00 178.00 178.98 1yiy h MET 141 N 0.94 0.13 -0.38 0.86 2.86 -1.32 0.22 114.93 118.24 1yiy h MET 141 Ca 0.24 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.92 1yiy h MET 141 Cb -0.01 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.57 1yiy h MET 141 CO -0.04 0.37 -0.05 0.28 1.06 0.00 0.00 176.91 178.52 1yiy h VAL 142 N -0.12 0.66 -0.35 -2.22 2.07 -1.13 -0.90 116.25 114.25 1yiy h VAL 142 Ca 0.02 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1yiy h VAL 142 Cb 0.30 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1yiy h VAL 142 CO 0.00 0.01 0.01 0.11 0.02 0.00 0.00 177.57 177.72 1yiy h LYS 143 N 0.04 0.54 0.00 1.57 1.57 -0.71 -0.08 116.57 119.50 1yiy h LYS 143 Ca 0.18 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1yiy h LYS 143 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1yiy h LYS 143 CO -0.36 0.56 -0.20 0.00 -0.57 0.00 0.00 179.45 178.88 1yiy h ALA 144 N 1.50 0.99 -0.00 3.86 0.00 0.02 -1.75 119.26 123.88 1yiy h ALA 144 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yiy h ALA 144 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yiy h ALA 144 CO 0.01 0.25 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 1yiy n ALA 145 N -2.20 2.60 -0.73 0.00 0.00 -0.40 -4.87 120.51 114.92 1yiy n ALA 145 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1yiy n ALA 145 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.14 0.73 3.88 0.00 0.00 -0.66 -3.81 105.19 106.47 1yiy n GLY 146 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.88 1.61 -0.34 -0.02 0.00 -0.13 -3.59 107.32 102.97 1yiy s GLY 147 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 1yiy s GLY 147 CO 0.00 -0.04 0.08 -0.42 0.00 0.00 0.00 173.10 172.73 1yiy s ILE 148 N -3.43 3.37 0.42 0.90 1.01 0.30 -4.36 121.20 119.41 1yiy s ILE 148 Ca 0.60 -1.42 -0.25 0.00 0.00 0.00 0.00 60.65 59.59 1yiy s ILE 148 Cb -0.12 -3.00 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 1yiy s ILE 148 CO 0.51 -0.25 1.21 -2.16 0.00 0.00 0.00 174.94 174.24 1yiy s PRO 149 N 1.29 3.93 -0.16 2.79 0.04 -1.26 -1.58 135.00 140.05 1yiy s PRO 149 Ca -0.01 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1yiy s PRO 149 Cb -0.20 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 31.76 1yiy s PRO 149 CO -0.00 -0.44 -0.01 1.03 0.04 0.00 0.00 177.00 177.61 1yiy s ARG 150 N -2.39 1.02 -0.04 4.56 1.81 0.76 -4.86 118.95 119.81 1yiy s ARG 150 Ca 0.59 -0.40 -0.08 0.00 -1.72 0.00 0.00 55.73 54.12 1yiy s ARG 150 Cb -0.32 -1.90 -0.05 0.00 -0.45 0.00 0.00 34.95 32.23 1yiy s ARG 150 CO 0.40 -0.49 0.25 -0.06 -0.68 0.00 0.00 175.30 174.72 1yiy s PHE 151 N 1.76 3.62 -0.04 -0.53 0.08 -1.26 0.15 117.98 121.75 1yiy s PHE 151 Ca 0.00 0.64 -0.00 0.00 0.12 0.00 0.00 56.93 57.69 1yiy s PHE 151 Cb -0.16 -2.03 0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1yiy s PHE 151 CO -0.07 0.67 -0.00 0.42 -0.10 0.00 0.00 175.22 176.13 1yiy s ILE 152 N -1.16 0.27 0.16 0.64 1.09 -0.65 -4.95 121.20 116.60 1yiy s ILE 152 Ca 0.22 0.09 -0.18 0.00 -1.10 0.00 0.00 60.65 59.68 1yiy s ILE 152 Cb -0.13 -0.39 -0.07 0.00 -1.06 0.00 0.00 42.46 40.81 1yiy s ILE 152 CO 0.11 0.19 0.63 -2.16 -0.10 0.00 0.00 174.94 173.61 1yiy s PRO 153 N 1.36 4.15 0.08 2.79 0.04 -1.26 0.89 135.00 143.05 1yiy s PRO 153 Ca -0.05 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 1yiy s PRO 153 Cb -0.13 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 1yiy s PRO 153 CO -0.02 0.48 1.13 -0.51 0.04 0.00 0.00 177.00 178.12 1yiy s LEU 154 N -1.77 4.40 -0.02 -3.56 1.43 0.21 -4.55 118.68 114.82 1yiy s LEU 154 Ca 0.38 1.97 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1yiy s LEU 154 Cb -0.17 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.47 1yiy s LEU 154 CO 0.20 -0.37 -0.05 -0.75 0.23 0.00 0.00 176.35 175.60 1yiy s LYS 155 N 0.72 0.60 0.56 1.70 2.47 0.97 -4.71 119.74 122.06 1yiy s LYS 155 Ca 0.55 -0.17 -0.16 0.00 -1.56 0.00 0.00 55.97 54.63 1yiy s LYS 155 Cb -0.28 -0.60 -0.05 0.00 -1.46 0.00 0.00 37.83 35.43 1yiy s LYS 155 CO 0.30 0.06 1.03 -1.25 0.16 0.00 0.00 175.35 175.65 1yiy s PRO 156 N 0.24 3.57 -0.53 4.03 0.04 -1.26 -0.73 135.00 140.37 1yiy s PRO 156 Ca -0.03 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 61.92 1yiy s PRO 156 Cb -0.07 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.46 1yiy s PRO 156 CO -0.00 -0.59 0.68 -0.80 0.04 0.00 0.00 177.00 176.33 1yiy s ASN 157 N -2.88 6.23 -0.91 6.66 0.02 -0.57 -4.92 114.94 118.58 1yiy s ASN 157 Ca 0.62 -0.90 -0.17 0.00 -1.02 0.00 0.00 52.86 51.39 1yiy s ASN 157 Cb -0.14 -2.31 0.17 0.00 0.02 0.00 0.00 41.25 38.99 1yiy s ASN 157 CO 0.34 -0.98 1.01 -0.54 0.02 0.00 0.00 177.10 176.96 1yiy s LYS 158 N 2.85 3.63 -0.30 -0.60 -0.14 -1.26 -4.87 119.74 119.05 1yiy s LYS 158 Ca 0.17 -2.06 -0.23 0.00 -1.36 0.00 0.00 55.97 52.49 1yiy s LYS 158 Cb -0.19 -4.75 0.20 0.00 -1.68 0.00 0.00 37.83 31.41 1yiy s LYS 158 CO 0.12 -1.60 1.42 -0.08 -0.76 0.00 0.00 175.35 174.46 1yiy s THR 159 N 1.71 0.00 0.00 2.17 -1.32 -1.26 -5.01 115.64 111.92 1yiy s THR 159 Ca 0.28 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 1yiy s THR 159 Cb -0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1yiy s THR 159 CO -0.09 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.93 1yiy n GLY 160 N 1.85 2.07 0.00 6.08 0.00 -1.26 -4.92 105.19 109.01 1yiy n GLY 160 Ca -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 2.05 3.72 -0.02 0.00 -1.26 -5.06 105.19 104.63 1yiy n GLY 161 Ca 0.00 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 2.24 -0.02 2.61 2.01 -1.26 -5.04 115.64 116.18 1yiy s THR 162 Ca 0.00 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1yiy s THR 162 Cb 0.00 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.80 1yiy s THR 162 CO 0.00 -0.06 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.31 1yiy s ILE 163 N -1.94 0.46 0.20 1.82 1.10 -1.26 -4.94 121.20 116.64 1yiy s ILE 163 Ca 0.75 -0.18 0.10 0.00 -0.51 0.00 0.00 60.65 60.81 1yiy s ILE 163 Cb -0.30 -0.44 -0.04 0.00 0.15 0.00 0.00 42.46 41.83 1yiy s ILE 163 CO 0.45 0.16 -0.11 -0.55 -2.11 0.00 0.00 174.94 172.79 1yiy s SER 164 N 0.32 4.13 0.64 4.50 0.15 -1.26 -0.89 113.70 121.28 1yiy s SER 164 Ca -0.04 -0.66 0.42 0.00 0.70 0.00 0.00 55.95 56.37 1yiy s SER 164 Cb -0.08 -0.64 2.16 0.00 -1.71 0.00 0.00 66.02 65.75 1yiy s SER 164 CO -0.00 0.09 2.28 0.77 1.20 0.00 0.00 173.24 177.57 1yiy h SER 165 N 2.77 0.00 0.20 5.45 4.64 -1.42 -0.00 113.55 125.19 1yiy h SER 165 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1yiy h SER 165 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1yiy h SER 165 CO 0.55 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 176.39 1yiy h ALA 166 N 2.00 1.54 0.00 5.18 0.00 -1.92 -2.54 119.26 123.51 1yiy h ALA 166 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yiy h ALA 166 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1yiy h ALA 166 CO 0.00 0.14 -0.01 -0.25 0.00 0.00 0.00 179.25 179.13 1yiy n ASP 167 N -4.00 0.14 -4.62 0.00 8.00 -0.02 -4.62 116.55 111.44 1yiy n ASP 167 Ca -0.02 0.50 -0.43 0.00 0.71 0.00 0.00 54.79 55.54 1yiy n ASP 167 Cb 0.20 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 1yiy n ASP 167 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1yiy s TRP 168 N -3.02 3.03 0.21 1.24 0.52 -0.96 -1.51 118.94 118.45 1yiy s TRP 168 Ca 0.13 0.92 0.02 0.00 0.02 0.00 0.00 56.10 57.20 1yiy s TRP 168 Cb 0.18 -3.91 -0.05 0.00 -1.15 0.00 0.00 33.47 28.54 1yiy s TRP 168 CO 0.54 -0.94 0.01 0.14 0.02 0.00 0.00 176.95 176.73 1yiy s VAL 169 N 3.84 0.81 0.33 4.03 -7.23 0.09 -4.71 120.40 117.56 1yiy s VAL 169 Ca 0.44 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1yiy s VAL 169 Cb -0.11 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1yiy s VAL 169 CO 0.21 -0.34 0.60 -0.76 -0.31 0.00 0.00 175.10 174.50 1yiy s LEU 170 N -3.25 3.99 -0.33 1.32 1.02 -1.26 -0.02 118.68 120.15 1yiy s LEU 170 Ca 0.28 0.75 -0.25 0.00 0.02 0.00 0.00 54.13 54.94 1yiy s LEU 170 Cb 0.06 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.68 1yiy s LEU 170 CO 0.07 -0.27 0.85 -0.62 0.02 0.00 0.00 176.35 176.41 1yiy s ASP 171 N -3.35 6.69 0.25 2.29 -1.08 -1.26 -4.94 116.67 115.27 1yiy s ASP 171 Ca 0.45 0.66 -0.04 0.00 -0.52 0.00 0.00 52.55 53.10 1yiy s ASP 171 Cb -0.10 -2.44 0.29 0.00 -1.46 0.00 0.00 42.92 39.21 1yiy s ASP 171 CO 0.32 -0.71 1.77 0.78 0.52 0.00 0.00 175.17 177.85 1yiy h ASN 172 N 8.23 0.88 -0.64 -0.34 2.35 -1.98 0.18 115.58 124.26 1yiy h ASN 172 Ca -0.24 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 1yiy h ASN 172 Cb 1.09 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 1yiy h ASN 172 CO 0.93 0.87 0.11 0.78 -1.65 0.00 0.00 177.43 178.47 1yiy h ASN 173 N 0.89 1.00 -0.18 5.81 2.35 -1.99 -0.10 115.58 123.36 1yiy h ASN 173 Ca 0.19 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1yiy h ASN 173 Cb 0.36 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1yiy h ASN 173 CO 0.00 1.01 0.01 -0.08 -1.65 0.00 0.00 177.43 176.72 1yiy h GLU 174 N 0.96 0.31 -0.23 0.81 4.81 -1.85 -2.29 114.58 117.11 1yiy h GLU 174 Ca 0.19 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1yiy h GLU 174 Cb 0.43 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 1yiy h GLU 174 CO 0.01 0.51 -0.10 1.25 -0.73 0.00 0.00 179.01 179.96 1yiy h LEU 175 N 0.07 -0.34 -1.51 1.64 7.12 -0.45 -1.54 115.31 120.30 1yiy h LEU 175 Ca 0.05 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.11 1yiy h LEU 175 Cb 0.37 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1yiy h LEU 175 CO 0.01 -0.13 -0.07 -0.33 -0.13 0.00 0.00 178.44 177.78 1yiy h GLU 176 N -0.07 0.22 0.00 1.25 5.08 -1.01 -2.28 114.58 117.77 1yiy h GLU 176 Ca 0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1yiy h GLU 176 Cb 0.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1yiy h GLU 176 CO -0.28 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1yiy h ALA 177 N 1.71 1.00 0.00 3.43 0.00 -0.71 -2.91 119.26 121.79 1yiy h ALA 177 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1yiy h ALA 177 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1yiy h ALA 177 CO 0.01 0.00 -0.59 1.25 0.00 0.00 0.00 179.25 179.92 1yiy h LEU 178 N 0.00 0.00 -9.40 0.00 5.85 -0.73 -3.44 115.31 107.59 1yiy h LEU 178 Ca 0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 1yiy h LEU 178 Cb 0.64 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1yiy h LEU 178 CO 0.00 0.57 0.23 -0.36 -0.34 0.00 0.00 178.44 178.55 1yiy s PHE 179 N -2.92 3.63 0.03 1.25 0.40 -1.10 -4.92 117.98 114.35 1yiy s PHE 179 Ca 0.03 1.49 -0.00 0.00 -0.60 0.00 0.00 56.93 57.85 1yiy s PHE 179 Cb 0.08 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.65 1yiy s PHE 179 CO 0.76 0.05 0.04 0.27 0.70 0.00 0.00 175.22 177.04 1yiy n ASN 180 N 3.76 -0.12 0.25 1.36 0.23 -1.26 -5.01 115.26 114.48 1yiy n ASN 180 Ca 0.02 -1.13 0.11 0.00 -0.53 0.00 0.00 54.58 53.05 1yiy n ASN 180 Cb 0.51 0.21 0.65 0.00 -2.08 0.00 0.00 39.78 39.07 1yiy n ASN 180 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1yiy h GLU 181 N 0.00 0.00 0.00 -3.83 9.09 -1.96 -2.16 114.58 115.72 1yiy h GLU 181 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1yiy h GLU 181 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1yiy h GLU 181 CO 0.03 0.16 0.00 1.63 0.05 0.00 0.00 179.01 180.87 1yiy n LYS 182 N -3.75 0.07 -2.07 1.06 5.02 -1.26 -4.78 118.16 112.45 1yiy n LYS 182 Ca -0.02 0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 56.03 1yiy n LYS 182 Cb 0.27 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 -3.06 3.67 -0.20 -0.18 2.01 -0.81 -2.53 115.64 114.54 1yiy s THR 183 Ca 0.10 0.79 0.05 0.00 0.31 0.00 0.00 61.69 62.93 1yiy s THR 183 Cb 0.13 -3.59 -0.21 0.00 0.01 0.00 0.00 72.50 68.84 1yiy s THR 183 CO 0.43 -0.16 0.05 1.17 -0.69 0.00 0.00 174.62 175.42 1yiy n LYS 184 N 7.34 0.68 -3.74 4.92 3.00 0.53 -4.64 118.16 126.25 1yiy n LYS 184 Ca 0.18 0.15 -0.14 0.00 -0.00 0.00 0.00 58.31 58.50 1yiy n LYS 184 Cb 0.44 -1.59 -0.08 0.00 0.00 0.00 0.00 35.03 33.80 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 -2.53 0.72 -0.03 1.64 1.75 -1.16 -0.81 119.30 118.88 1yiy s MET 185 Ca -0.24 -0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.04 1yiy s MET 185 Cb 0.08 0.32 0.01 0.00 2.84 0.00 0.00 34.83 38.07 1yiy s MET 185 CO 0.71 -0.20 -0.09 -1.50 -0.65 0.00 0.00 175.02 173.29 1yiy s ILE 186 N -1.43 0.79 -0.27 10.11 2.07 -0.35 -1.63 121.20 130.48 1yiy s ILE 186 Ca -0.13 -0.34 -0.06 0.00 -1.41 0.00 0.00 60.65 58.71 1yiy s ILE 186 Cb -0.04 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.83 1yiy s ILE 186 CO 0.04 0.25 0.05 0.27 -1.91 0.00 0.00 174.94 173.65 1yiy s ILE 187 N 0.34 3.88 0.03 2.00 -4.36 -1.02 -0.59 121.20 121.48 1yiy s ILE 187 Ca -0.06 -0.60 0.04 0.00 -0.26 0.00 0.00 60.65 59.77 1yiy s ILE 187 Cb -0.10 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.64 1yiy s ILE 187 CO 0.01 0.17 -0.08 -0.63 0.24 0.00 0.00 174.94 174.66 1yiy s ILE 188 N 1.50 3.56 -0.28 8.37 1.09 0.17 -4.21 121.20 131.41 1yiy s ILE 188 Ca 0.03 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 58.69 1yiy s ILE 188 Cb -0.16 -2.58 0.08 0.00 -1.06 0.00 0.00 42.46 38.74 1yiy s ILE 188 CO 0.01 0.33 0.04 0.21 -0.10 0.00 0.00 174.94 175.43 1yiy s ASN 189 N -1.60 3.99 -0.06 3.58 2.47 -1.26 0.07 114.94 122.13 1yiy s ASN 189 Ca 0.18 -1.51 -0.01 0.00 0.42 0.00 0.00 52.86 51.95 1yiy s ASN 189 Cb -0.11 -1.07 0.03 0.00 -1.45 0.00 0.00 41.25 38.64 1yiy s ASN 189 CO 0.09 -0.34 -0.01 -0.89 -3.72 0.00 0.00 177.10 172.23 1yiy s THR 190 N 1.44 0.39 0.56 -5.21 2.01 -0.83 -3.16 115.64 110.84 1yiy s THR 190 Ca 0.04 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.90 1yiy s THR 190 Cb -0.18 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1yiy s THR 190 CO -0.14 0.24 1.33 -2.84 -0.69 0.00 0.00 174.62 172.51 1yiy s PRO 191 N 1.65 3.09 0.17 4.92 0.02 -1.26 -4.24 135.00 139.34 1yiy s PRO 191 Ca 0.00 2.16 -0.28 0.00 0.02 0.00 0.00 61.00 62.90 1yiy s PRO 191 Cb -0.13 -2.19 -0.08 0.00 0.02 0.00 0.00 34.50 32.13 1yiy s PRO 191 CO -0.04 -1.21 0.88 -1.58 -0.33 0.00 0.00 177.00 174.72 1yiy s HIS 192 N -1.35 3.90 -0.26 6.54 2.46 0.68 -4.65 115.29 122.61 1yiy s HIS 192 Ca 0.73 1.76 -0.08 0.00 0.47 0.00 0.00 55.06 57.94 1yiy s HIS 192 Cb -0.39 -2.92 -0.03 0.00 -0.13 0.00 0.00 32.58 29.11 1yiy s HIS 192 CO 0.45 0.40 0.10 1.21 -2.47 0.00 0.00 174.74 174.42 1yiy s ASN 193 N -0.78 5.33 -0.05 9.88 3.84 -1.26 0.25 114.94 132.15 1yiy s ASN 193 Ca 0.40 -0.17 0.17 0.00 0.21 0.00 0.00 52.86 53.47 1yiy s ASN 193 Cb -0.24 -1.97 0.54 0.00 -0.55 0.00 0.00 41.25 39.03 1yiy s ASN 193 CO 0.29 -0.04 1.46 -0.81 -2.79 0.00 0.00 177.10 175.20 1yiy n PRO 194 N 4.96 3.10 0.04 0.43 -0.04 -1.26 -4.17 135.00 138.06 1yiy n PRO 194 Ca -0.16 -2.54 -0.06 0.00 -0.04 0.00 0.00 63.50 60.70 1yiy n PRO 194 Cb 0.51 -1.59 0.12 0.00 -0.04 0.00 0.00 33.50 32.50 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 3.17 0.44 0.00 1.53 3.38 -1.87 -3.39 115.31 118.57 1yiy h LEU 195 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1yiy h LEU 195 Cb 1.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1yiy h LEU 195 CO 0.09 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.10 1yiy n GLY 196 N 0.11 0.64 3.74 0.83 0.00 0.14 -4.27 105.19 106.37 1yiy n GLY 196 Ca -0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.62 4.20 -0.30 1.61 2.20 -1.25 -1.21 119.74 124.36 1yiy s LYS 197 Ca 0.00 2.43 -0.05 0.00 -0.36 0.00 0.00 55.97 57.99 1yiy s LYS 197 Cb 0.00 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1yiy s LYS 197 CO 0.00 -0.56 0.05 0.14 -0.36 0.00 0.00 175.35 174.61 1yiy s VAL 198 N 0.40 3.53 0.12 4.02 -7.23 -1.26 -0.23 120.40 119.74 1yiy s VAL 198 Ca 0.65 -1.01 -0.31 0.00 -1.81 0.00 0.00 61.98 59.49 1yiy s VAL 198 Cb -0.45 -2.91 -0.10 0.00 0.56 0.00 0.00 36.38 33.49 1yiy s VAL 198 CO 0.41 -0.01 1.70 -0.32 -0.31 0.00 0.00 175.10 176.57 1yiy s MET 199 N 1.39 4.17 0.89 4.82 1.75 -1.26 -4.97 119.30 126.09 1yiy s MET 199 Ca -0.01 2.45 -0.14 0.00 -1.25 0.00 0.00 55.69 56.75 1yiy s MET 199 Cb -0.18 -3.46 0.14 0.00 2.84 0.00 0.00 34.83 34.16 1yiy s MET 199 CO 0.01 -0.75 1.24 0.16 -0.65 0.00 0.00 175.02 175.03 1yiy s ASP 200 N 2.16 3.77 0.23 1.11 1.47 -1.26 -4.68 116.67 119.47 1yiy s ASP 200 Ca 0.76 0.55 -0.06 0.00 1.18 0.00 0.00 52.55 54.97 1yiy s ASP 200 Cb -0.44 -0.83 0.32 0.00 -0.34 0.00 0.00 42.92 41.63 1yiy s ASP 200 CO 0.33 -2.35 1.83 0.08 0.68 0.00 0.00 175.17 175.75 1yiy h ARG 201 N -1.37 0.84 -0.60 2.11 -0.00 -1.96 -0.71 114.38 112.69 1yiy h ARG 201 Ca -0.45 -0.05 0.03 0.00 -0.00 0.00 0.00 59.98 59.50 1yiy h ARG 201 Cb 1.29 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.97 31.03 1yiy h ARG 201 CO 0.52 0.56 0.37 0.00 -0.00 0.00 0.00 179.97 181.42 1yiy h ALA 202 N 1.40 0.78 -0.56 0.08 0.00 -1.98 0.40 119.26 119.37 1yiy h ALA 202 Ca 0.36 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1yiy h ALA 202 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1yiy h ALA 202 CO -0.19 0.11 -0.08 0.93 0.00 0.00 0.00 179.25 180.03 1yiy h GLU 203 N 0.73 1.05 -0.84 0.00 5.08 -1.75 -0.19 114.58 118.66 1yiy h GLU 203 Ca 0.24 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1yiy h GLU 203 Cb 0.01 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1yiy h GLU 203 CO -0.10 1.07 0.54 -0.07 -1.00 0.00 0.00 179.01 179.45 1yiy h LEU 204 N 0.94 0.98 -0.90 1.33 4.07 -0.74 -2.70 115.31 118.28 1yiy h LEU 204 Ca 0.15 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.97 1yiy h LEU 204 Cb 0.65 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1yiy h LEU 204 CO 0.04 0.73 -0.29 -0.33 -1.08 0.00 0.00 178.44 177.51 1yiy h GLU 205 N 1.15 0.46 -0.33 1.13 5.08 0.54 0.07 114.58 122.68 1yiy h GLU 205 Ca 0.31 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1yiy h GLU 205 Cb -0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1yiy h GLU 205 CO -0.06 0.71 0.18 0.28 -1.00 0.00 0.00 179.01 179.12 1yiy h VAL 206 N 0.40 1.14 -0.40 3.13 2.07 -0.75 -0.18 116.25 121.66 1yiy h VAL 206 Ca 0.05 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1yiy h VAL 206 Cb 0.72 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1yiy h VAL 206 CO 0.06 0.14 -0.14 0.58 0.02 0.00 0.00 177.57 178.23 1yiy h VAL 207 N 0.41 1.28 -0.32 2.57 2.07 -1.33 -2.92 116.25 118.01 1yiy h VAL 207 Ca 0.12 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1yiy h VAL 207 Cb 0.06 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1yiy h VAL 207 CO -0.02 0.42 0.20 0.00 0.02 0.00 0.00 177.57 178.19 1yiy h ALA 208 N 0.83 0.40 -0.65 1.67 0.00 -0.76 -0.77 119.26 119.97 1yiy h ALA 208 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1yiy h ALA 208 Cb 0.67 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1yiy h ALA 208 CO 0.05 -0.14 0.40 -0.91 0.00 0.00 0.00 179.25 178.64 1yiy h ASN 209 N 0.42 0.77 -0.51 0.00 2.35 -1.04 -0.75 115.58 116.81 1yiy h ASN 209 Ca 0.12 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1yiy h ASN 209 Cb -0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1yiy h ASN 209 CO -0.03 0.58 0.02 -0.07 -1.65 0.00 0.00 177.43 176.27 1yiy h LEU 210 N 0.89 0.87 -0.93 1.61 -0.00 -1.22 0.51 115.31 117.05 1yiy h LEU 210 Ca 0.24 -0.30 -0.07 0.00 -0.00 0.00 0.00 57.88 57.74 1yiy h LEU 210 Cb -0.05 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.35 1yiy h LEU 210 CO -0.05 0.96 -0.03 0.00 -0.00 0.00 0.00 178.44 179.32 1yiy h LYS 212 N 0.70 0.75 -0.64 0.00 1.57 -0.93 0.11 116.57 118.13 1yiy h LYS 212 Ca 0.13 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1yiy h LYS 212 Cb 0.47 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1yiy h LYS 212 CO 0.02 1.00 0.16 0.87 -0.57 0.00 0.00 179.45 180.94 1yiy h LYS 213 N 0.51 1.00 -0.39 3.15 1.57 -0.59 -3.20 116.57 118.62 1yiy h LYS 213 Ca 0.06 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1yiy h LYS 213 Cb 0.85 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1yiy h LYS 213 CO 0.07 0.88 0.00 0.91 -0.57 0.00 0.00 179.45 180.74 1yiy n TRP 214 N -4.25 0.52 -3.39 -1.35 7.02 -0.32 -5.00 117.44 110.67 1yiy n TRP 214 Ca 0.05 -0.43 -0.19 0.00 -1.02 0.00 0.00 57.50 55.91 1yiy n TRP 214 Cb 0.24 -0.02 0.05 0.00 -2.42 0.00 0.00 31.31 29.16 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 0.81 -6.31 -4.45 -0.99 5.15 -0.14 -4.84 115.26 104.48 1yiy n ASN 215 Ca 0.14 -0.73 -0.28 0.00 -0.60 0.00 0.00 54.58 53.11 1yiy n ASN 215 Cb 0.46 -4.47 -0.11 0.00 -0.53 0.00 0.00 39.78 35.12 1yiy n ASN 215 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1yiy s VAL 216 N -3.34 2.56 -0.04 3.44 0.11 0.20 -4.90 120.40 118.42 1yiy s VAL 216 Ca 0.38 -1.84 -0.29 0.00 -2.93 0.00 0.00 61.98 57.31 1yiy s VAL 216 Cb -0.09 -2.21 -0.02 0.00 -1.53 0.00 0.00 36.38 32.52 1yiy s VAL 216 CO 0.79 -0.05 0.96 -0.22 -3.33 0.00 0.00 175.10 173.25 1yiy s LEU 217 N -2.51 4.32 -0.27 2.54 2.96 0.01 -4.78 118.68 120.96 1yiy s LEU 217 Ca 0.20 1.57 -0.11 0.00 -0.22 0.00 0.00 54.13 55.57 1yiy s LEU 217 Cb -0.09 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1yiy s LEU 217 CO 0.10 -0.31 0.19 0.00 -1.32 0.00 0.00 176.35 175.02 1yiy s VAL 219 N 1.58 4.04 -0.43 0.00 1.01 0.24 -1.03 120.40 125.81 1yiy s VAL 219 Ca 0.08 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 1yiy s VAL 219 Cb -0.15 -3.19 0.05 0.00 0.00 0.00 0.00 36.38 33.08 1yiy s VAL 219 CO 0.09 -0.08 0.32 -0.55 0.00 0.00 0.00 175.10 174.88 1yiy s SER 220 N 1.48 6.02 -0.74 3.32 0.15 0.30 -0.65 113.70 123.57 1yiy s SER 220 Ca 0.01 -1.16 -0.24 0.00 0.70 0.00 0.00 55.95 55.26 1yiy s SER 220 Cb -0.18 -2.13 0.06 0.00 -1.71 0.00 0.00 66.02 62.05 1yiy s SER 220 CO 0.04 -0.53 1.14 -0.62 1.20 0.00 0.00 173.24 174.46 1yiy s ASP 221 N 2.08 6.24 -0.37 5.45 -1.08 0.11 -1.14 116.67 127.96 1yiy s ASP 221 Ca 0.04 -0.93 0.06 0.00 -0.52 0.00 0.00 52.55 51.20 1yiy s ASP 221 Cb -0.22 -2.48 0.48 0.00 -1.46 0.00 0.00 42.92 39.24 1yiy s ASP 221 CO 0.07 -1.56 1.47 -0.62 0.52 0.00 0.00 175.17 175.06 1yiy n GLU 222 N 8.32 2.67 0.17 4.34 1.02 -0.42 -1.97 120.64 134.76 1yiy n GLU 222 Ca 0.04 -3.59 0.10 0.00 -0.02 0.00 0.00 57.16 53.70 1yiy n GLU 222 Cb 0.48 -2.08 0.62 0.00 -0.02 0.00 0.00 31.44 30.43 1yiy n GLU 222 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1yiy h VAL 223 N 1.44 0.96 -0.83 2.62 3.04 -1.82 -1.11 116.25 120.56 1yiy h VAL 223 Ca 0.36 -0.03 -0.40 0.00 -1.01 0.00 0.00 66.70 65.62 1yiy h VAL 223 Cb 1.44 0.87 -0.24 0.00 -2.01 0.00 0.00 31.29 31.35 1yiy h VAL 223 CO 0.77 0.02 0.51 -1.22 -1.01 0.00 0.00 177.57 176.63 1yiy n TYR 224 N -4.50 2.59 0.09 3.17 4.02 -1.26 -4.55 117.16 116.71 1yiy n TYR 224 Ca 0.01 -1.55 0.13 0.00 -0.01 0.00 0.00 57.90 56.47 1yiy n TYR 224 Cb 0.19 -0.81 0.62 0.00 -0.02 0.00 0.00 39.34 39.31 1yiy n TYR 224 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1yiy h GLU 225 N 1.19 0.11 -0.31 -0.72 4.11 -1.46 -1.96 114.58 115.54 1yiy h GLU 225 Ca 0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1yiy h GLU 225 Cb 2.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.77 1yiy h GLU 225 CO 0.91 0.07 0.00 0.72 0.07 0.00 0.00 179.01 180.77 1yiy n HIS 226 N -4.47 0.40 -1.54 2.06 8.25 -1.26 -4.35 115.22 114.30 1yiy n HIS 226 Ca 0.04 -0.20 -0.14 0.00 -0.26 0.00 0.00 57.72 57.17 1yiy n HIS 226 Cb 0.32 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.58 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 0.88 2.32 -3.13 -0.41 2.81 -0.73 -4.38 117.12 114.47 1yiy n MET 227 Ca 0.17 -3.39 -0.39 0.00 -1.81 0.00 0.00 57.70 52.28 1yiy n MET 227 Cb 0.45 -1.99 -0.06 0.00 -0.71 0.00 0.00 33.22 30.91 1yiy n MET 227 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yiy s VAL 228 N -3.74 4.56 0.15 2.03 -7.23 -1.26 -1.72 120.40 113.19 1yiy s VAL 228 Ca 0.49 1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 61.81 1yiy s VAL 228 Cb 0.43 -4.00 -0.07 0.00 0.56 0.00 0.00 36.38 33.29 1yiy s VAL 228 CO 0.01 0.51 0.90 -0.36 -0.31 0.00 0.00 175.10 175.85 1yiy s PHE 229 N -1.16 3.87 0.08 2.82 0.08 0.46 -4.83 117.98 119.30 1yiy s PHE 229 Ca 0.33 1.77 -0.11 0.00 0.12 0.00 0.00 56.93 59.04 1yiy s PHE 229 Cb -0.21 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.31 1yiy s PHE 229 CO 0.22 0.35 0.66 -1.91 -0.10 0.00 0.00 175.22 174.45 1yiy n GLU 230 N 2.18 -0.15 -0.31 0.44 4.07 -1.26 -1.21 120.64 124.39 1yiy n GLU 230 Ca -0.01 0.65 0.16 0.00 -0.06 0.00 0.00 57.16 57.90 1yiy n GLU 230 Cb 0.49 -0.96 0.34 0.00 -0.06 0.00 0.00 31.44 31.24 1yiy n GLU 230 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1yiy h PRO 231 N 0.00 0.20 -6.82 5.31 0.13 -1.94 -3.42 132.00 125.45 1yiy h PRO 231 Ca 0.10 -0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.74 1yiy h PRO 231 Cb 0.21 -0.05 0.05 0.00 0.13 0.00 0.00 31.00 31.34 1yiy h PRO 231 CO -0.41 0.13 -0.02 -0.06 -0.23 0.00 0.00 178.00 177.41 1yiy s PHE 232 N -5.87 1.55 -0.03 1.56 0.40 -0.35 -5.13 117.98 110.11 1yiy s PHE 232 Ca -0.12 -0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 1yiy s PHE 232 Cb 0.27 -2.53 0.01 0.00 0.51 0.00 0.00 43.02 41.28 1yiy s PHE 232 CO 0.78 -1.34 0.09 -1.21 0.70 0.00 0.00 175.22 174.23 1yiy s GLU 233 N -4.84 0.15 -0.01 0.44 0.41 -1.26 -4.73 118.70 108.85 1yiy s GLU 233 Ca 0.63 0.04 -0.30 0.00 -0.41 0.00 0.00 54.97 54.94 1yiy s GLU 233 Cb -0.06 0.07 -0.03 0.00 -1.78 0.00 0.00 34.13 32.33 1yiy s GLU 233 CO 0.41 -0.02 0.99 -1.58 -0.49 0.00 0.00 175.26 174.57 1yiy s HIS 234 N -0.15 3.63 -0.08 1.61 5.65 -1.26 -4.93 115.29 119.77 1yiy s HIS 234 Ca -0.02 1.67 0.03 0.00 0.25 0.00 0.00 55.06 56.99 1yiy s HIS 234 Cb -0.02 -3.14 0.01 0.00 -1.18 0.00 0.00 32.58 28.25 1yiy s HIS 234 CO 0.00 -0.08 -0.16 0.42 -0.65 0.00 0.00 174.74 174.27 1yiy s ILE 235 N 1.14 1.42 -0.19 0.89 1.09 -1.26 -5.12 121.20 119.17 1yiy s ILE 235 Ca 0.52 -0.65 -0.10 0.00 -1.10 0.00 0.00 60.65 59.32 1yiy s ILE 235 Cb -0.21 -1.27 -0.05 0.00 -1.06 0.00 0.00 42.46 39.87 1yiy s ILE 235 CO 0.27 0.42 0.14 0.00 -0.10 0.00 0.00 174.94 175.67 1yiy s ARG 236 N 0.58 4.14 0.56 2.79 3.03 -1.26 -4.97 118.95 123.83 1yiy s ARG 236 Ca -0.16 -0.19 0.28 0.00 2.03 0.00 0.00 55.73 57.70 1yiy s ARG 236 Cb -0.16 -3.40 1.67 0.00 -1.03 0.00 0.00 34.95 32.02 1yiy s ARG 236 CO 0.05 0.33 2.18 0.82 -1.13 0.00 0.00 175.30 177.56 1yiy h ILE 237 N 4.62 0.56 0.00 4.99 2.04 -1.98 -2.08 117.51 125.65 1yiy h ILE 237 Ca -0.42 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1yiy h ILE 237 Cb 1.16 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1yiy h ILE 237 CO 0.75 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.94 1yiy n THR 239 N -1.47 0.06 -2.41 0.00 5.66 -0.78 -3.13 114.28 112.21 1yiy n THR 239 Ca 0.03 -0.07 -0.33 0.00 -3.05 0.00 0.00 64.05 60.63 1yiy n THR 239 Cb 0.11 0.31 -0.03 0.00 -1.55 0.00 0.00 70.33 69.17 1yiy n THR 239 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1yiy s LEU 240 N -3.27 3.68 -0.19 1.09 1.43 -0.63 -4.93 118.68 115.87 1yiy s LEU 240 Ca 0.09 1.71 -0.39 0.00 -1.03 0.00 0.00 54.13 54.50 1yiy s LEU 240 Cb 0.16 -4.53 -0.16 0.00 0.03 0.00 0.00 46.19 41.70 1yiy s LEU 240 CO 0.74 -0.72 1.64 -2.65 0.23 0.00 0.00 176.35 175.59 1yiy n PRO 241 N -1.43 1.12 -0.99 1.29 -0.02 -1.26 -1.54 135.00 132.17 1yiy n PRO 241 Ca 0.08 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1yiy n PRO 241 Cb 0.53 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.75 0.53 0.07 -1.23 0.00 -1.26 -4.91 105.19 102.14 1yiy n GLY 242 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.48 0.65 -0.25 1.61 2.81 -0.59 -4.33 117.12 114.54 1yiy n MET 243 Ca 0.00 0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.86 1yiy n MET 243 Cb 0.04 -1.64 0.06 0.00 -0.71 0.00 0.00 33.22 30.98 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 0.87 0.00 2.03 2.91 -1.73 -0.14 115.95 119.89 1yiy h TRP 244 Ca -0.21 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.83 1yiy h TRP 244 Cb 1.55 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.91 1yiy h TRP 244 CO 0.00 0.53 0.00 0.39 -1.03 0.00 0.00 178.44 178.33 1yiy n GLU 245 N -4.61 0.12 -0.82 2.65 4.71 -1.26 -2.92 120.64 118.51 1yiy n GLU 245 Ca 0.07 0.38 0.05 0.00 -0.01 0.00 0.00 57.16 57.65 1yiy n GLU 245 Cb 0.04 -1.74 0.09 0.00 -1.01 0.00 0.00 31.44 28.83 1yiy n GLU 245 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1yiy n ARG 246 N -1.96 0.69 -4.57 3.49 1.85 -0.22 -4.95 116.66 110.99 1yiy n ARG 246 Ca 0.02 -2.31 -0.22 0.00 -1.00 0.00 0.00 57.85 54.34 1yiy n ARG 246 Cb 0.19 -0.82 -0.14 0.00 -1.05 0.00 0.00 32.46 30.63 1yiy n ARG 246 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1yiy s THR 247 N -1.45 1.26 -0.14 8.89 2.01 -0.29 -1.02 115.64 124.89 1yiy s THR 247 Ca 0.29 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1yiy s THR 247 Cb 0.30 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.73 1yiy s THR 247 CO -0.08 0.19 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.40 1yiy s ILE 248 N -0.63 1.52 0.08 1.82 1.10 -0.20 -4.48 121.20 120.41 1yiy s ILE 248 Ca 0.05 -0.60 0.08 0.00 -0.51 0.00 0.00 60.65 59.67 1yiy s ILE 248 Cb -0.07 -1.43 -0.04 0.00 0.15 0.00 0.00 42.46 41.07 1yiy s ILE 248 CO 0.01 0.45 -0.19 0.42 -2.11 0.00 0.00 174.94 173.51 1yiy s THR 249 N 1.50 2.73 0.08 4.00 -4.23 -0.81 -0.54 115.64 118.37 1yiy s THR 249 Ca 0.05 -1.38 0.09 0.00 -1.18 0.00 0.00 61.69 59.26 1yiy s THR 249 Cb -0.13 -2.19 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 1yiy s THR 249 CO -0.10 0.22 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.32 1yiy s ILE 250 N -1.02 2.01 0.20 2.99 1.01 -0.29 -0.64 121.20 125.45 1yiy s ILE 250 Ca 0.16 -1.49 -0.06 0.00 0.00 0.00 0.00 60.65 59.25 1yiy s ILE 250 Cb -0.10 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1yiy s ILE 250 CO 0.07 0.17 0.26 -0.83 0.00 0.00 0.00 174.94 174.61 1yiy s GLY 251 N -1.60 0.95 -0.01 6.18 0.00 -0.50 -1.30 107.32 111.03 1yiy s GLY 251 Ca 0.11 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.55 1yiy s GLY 251 CO 0.04 -1.06 -0.04 -0.56 0.00 0.00 0.00 173.10 171.48 1yiy s SER 252 N -3.07 0.55 0.27 1.64 0.01 -1.26 -1.41 113.70 110.42 1yiy s SER 252 Ca 0.29 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.48 1yiy s SER 252 Cb 0.04 -0.13 0.37 0.00 0.21 0.00 0.00 66.02 66.51 1yiy s SER 252 CO 0.08 0.02 1.72 0.00 0.41 0.00 0.00 173.24 175.47 1yiy h ALA 253 N 6.38 1.07 -0.63 1.44 0.00 -0.90 0.08 119.26 126.70 1yiy h ALA 253 Ca -0.31 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.38 1yiy h ALA 253 Cb 1.18 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1yiy h ALA 253 CO 0.50 0.57 0.21 0.78 0.00 0.00 0.00 179.25 181.30 1yiy h GLY 254 N 0.99 0.88 1.60 0.00 0.00 -1.71 0.22 103.07 105.05 1yiy h GLY 254 Ca 0.08 -0.10 -0.27 0.00 0.00 0.00 0.00 47.33 47.04 1yiy h GLY 254 CO 0.04 -0.06 -1.21 0.50 0.00 0.00 0.00 176.54 175.81 1yiy h LYS 255 N 0.37 0.31 -0.44 4.80 6.56 -1.80 -0.60 116.57 125.77 1yiy h LYS 255 Ca 0.33 -0.49 -0.08 0.00 -1.06 0.00 0.00 60.65 59.34 1yiy h LYS 255 Cb 0.45 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 1yiy h LYS 255 CO -0.35 1.22 -0.05 1.15 -2.06 0.00 0.00 179.45 179.35 1yiy h THR 256 N 0.10 1.27 -0.29 -0.16 2.02 -0.56 -3.28 112.91 112.01 1yiy h THR 256 Ca -0.13 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1yiy h THR 256 Cb 1.93 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1yiy h THR 256 CO 0.20 0.39 0.00 0.49 0.37 0.00 0.00 175.52 176.97 1yiy n PHE 257 N -4.33 0.42 -3.53 3.16 3.72 0.74 -4.88 117.46 112.76 1yiy n PHE 257 Ca -0.00 -0.52 -0.24 0.00 -0.05 0.00 0.00 57.45 56.64 1yiy n PHE 257 Cb 0.34 -0.04 0.07 0.00 -0.94 0.00 0.00 39.48 38.91 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 0.31 -6.36 -3.32 4.37 7.64 -0.65 -4.38 113.62 111.23 1yiy n SER 258 Ca 0.10 -0.51 -0.26 0.00 1.01 0.00 0.00 58.87 59.21 1yiy n SER 258 Cb 0.43 -5.02 -0.07 0.00 -1.01 0.00 0.00 64.21 58.54 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 -4.89 2.68 0.28 -3.43 4.77 -0.33 -4.57 117.00 111.52 1yiy n LEU 259 Ca -0.01 -5.23 0.17 0.00 -0.03 0.00 0.00 56.01 50.92 1yiy n LEU 259 Cb 0.57 -0.24 0.78 0.00 -2.33 0.00 0.00 43.42 42.19 1yiy n LEU 259 CO 0.63 2.09 1.01 0.00 -1.33 0.00 0.00 177.39 179.78 1yiy h THR 260 N 2.76 0.14 -0.08 -5.08 1.03 -1.90 -0.71 112.91 109.08 1yiy h THR 260 Ca 0.16 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 1yiy h THR 260 Cb 0.72 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 1yiy h THR 260 CO 0.72 0.04 0.00 0.61 -0.01 0.00 0.00 175.52 176.88 1yiy n GLY 261 N -0.28 -0.44 0.12 2.99 0.00 -1.26 -3.63 105.19 102.70 1yiy n GLY 261 Ca -0.01 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 0.95 0.00 -6.56 1.61 4.06 -1.53 -3.49 115.95 111.00 1yiy h TRP 262 Ca 0.00 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.46 1yiy h TRP 262 Cb 0.21 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.40 1yiy h TRP 262 CO 0.05 0.05 -0.95 1.63 -3.56 0.00 0.00 178.44 175.66 1yiy n LYS 263 N -2.72 -0.86 -4.03 0.49 4.76 -1.24 -4.90 118.16 109.67 1yiy n LYS 263 Ca -0.01 0.39 -0.21 0.00 -2.87 0.00 0.00 58.31 55.61 1yiy n LYS 263 Cb 0.57 -3.26 -0.17 0.00 -1.84 0.00 0.00 35.03 30.34 1yiy n LYS 263 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1yiy s ILE 264 N -3.40 0.51 0.04 -0.18 -1.09 -1.26 -1.91 121.20 113.91 1yiy s ILE 264 Ca 0.40 -0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.77 1yiy s ILE 264 Cb -0.18 -0.58 -0.00 0.00 -1.58 0.00 0.00 42.46 40.12 1yiy s ILE 264 CO 0.91 0.24 0.03 0.61 -1.23 0.00 0.00 174.94 175.50 1yiy n GLY 265 N 4.42 3.90 3.46 6.18 0.00 -0.25 -0.15 105.19 122.75 1yiy n GLY 265 Ca -0.19 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.13 -0.58 -0.03 1.61 -2.14 -0.50 -1.26 118.94 113.92 1yiy s TRP 266 Ca 0.05 0.64 0.06 0.00 2.66 0.00 0.00 56.10 59.51 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 0.03 -0.75 -0.20 0.00 -2.66 0.00 0.00 176.95 173.38 1yiy s ALA 267 N -2.69 2.44 0.05 2.67 0.00 -0.88 -1.41 121.76 121.92 1yiy s ALA 267 Ca -0.04 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1yiy s ALA 267 Cb -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 1yiy s ALA 267 CO -0.04 0.55 -0.12 1.52 0.00 0.00 0.00 175.76 177.67 1yiy s TYR 268 N -0.70 1.04 -2.42 0.00 1.13 0.19 -1.98 117.35 114.60 1yiy s TYR 268 Ca 0.11 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.37 1yiy s TYR 268 Cb -0.10 -0.61 0.00 0.00 -1.10 0.00 0.00 41.96 40.15 1yiy s TYR 268 CO 0.00 0.01 0.00 0.41 -2.51 0.00 0.00 175.55 173.46 1yiy n GLY 269 N 1.68 -1.80 3.68 5.49 0.00 -1.03 -1.93 105.19 111.28 1yiy n GLY 269 Ca -0.20 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 1yiy n GLY 269 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yiy n PRO 270 N -0.35 1.69 0.05 1.61 -0.04 -1.26 -4.47 135.00 132.23 1yiy n PRO 270 Ca 0.00 0.60 0.16 0.00 -0.04 0.00 0.00 63.50 64.22 1yiy n PRO 270 Cb 0.00 -2.30 0.65 0.00 -0.04 0.00 0.00 33.50 31.81 1yiy n PRO 270 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1yiy h GLU 271 N 1.77 0.07 -0.82 0.54 4.81 -1.93 -1.29 114.58 117.74 1yiy h GLU 271 Ca -0.47 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 1yiy h GLU 271 Cb 1.31 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.64 1yiy h GLU 271 CO 0.58 0.05 0.38 0.00 -0.73 0.00 0.00 179.01 179.28 1yiy h ALA 272 N 1.79 1.13 0.09 2.92 0.00 -1.89 -1.12 119.26 122.18 1yiy h ALA 272 Ca 0.19 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1yiy h ALA 272 Cb 0.68 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1yiy h ALA 272 CO -0.01 0.65 -1.15 -0.07 0.00 0.00 0.00 179.25 178.66 1yiy h LEU 273 N 1.17 0.54 -1.05 0.00 3.38 -1.74 -3.32 115.31 114.29 1yiy h LEU 273 Ca 0.28 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1yiy h LEU 273 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1yiy h LEU 273 CO -0.03 1.36 -0.31 -0.07 0.09 0.00 0.00 178.44 179.48 1yiy h LEU 274 N 0.15 0.00 -0.84 1.67 3.38 -0.94 -3.01 115.31 115.72 1yiy h LEU 274 Ca -0.13 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.02 1yiy h LEU 274 Cb 1.84 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.48 1yiy h LEU 274 CO 0.20 0.31 0.37 0.50 0.09 0.00 0.00 178.44 179.91 1yiy h LYS 275 N 0.00 0.45 -0.48 1.13 1.63 -1.31 -0.54 116.57 117.45 1yiy h LYS 275 Ca -0.00 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 1yiy h LYS 275 Cb 0.81 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1yiy h LYS 275 CO 0.04 0.29 -0.01 -0.91 -3.45 0.00 0.00 179.45 175.41 1yiy h ASN 276 N 0.46 0.84 -0.89 4.20 -0.26 -1.74 -2.35 115.58 115.84 1yiy h ASN 276 Ca 0.49 -0.31 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 1yiy h ASN 276 Cb 0.83 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 37.82 1yiy h ASN 276 CO -0.46 0.95 0.51 -0.07 -1.06 0.00 0.00 177.43 177.30 1yiy h LEU 277 N 0.70 1.09 -0.90 1.61 3.38 -1.41 -2.57 115.31 117.21 1yiy h LEU 277 Ca 0.13 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1yiy h LEU 277 Cb 0.52 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1yiy h LEU 277 CO 0.03 0.85 0.59 1.56 0.09 0.00 0.00 178.44 181.56 1yiy h GLN 278 N 1.23 1.16 -0.51 1.13 4.20 -0.64 0.09 115.11 121.77 1yiy h GLN 278 Ca 0.32 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.87 1yiy h GLN 278 Cb -0.02 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 1yiy h GLN 278 CO -0.06 0.77 -0.04 1.98 -0.67 0.00 0.00 178.83 180.82 1yiy h MET 279 N 1.20 0.89 0.27 1.46 4.05 -1.04 -1.45 114.93 120.31 1yiy h MET 279 Ca 0.34 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1yiy h MET 279 Cb -0.10 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.61 1yiy h MET 279 CO -0.08 0.91 -0.13 0.28 0.23 0.00 0.00 176.91 178.12 1yiy h VAL 280 N 0.82 0.76 -0.45 -5.77 2.07 -1.28 -3.26 116.25 109.14 1yiy h VAL 280 Ca 0.15 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1yiy h VAL 280 Cb 0.54 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1yiy h VAL 280 CO 0.03 0.12 0.14 -0.74 0.02 0.00 0.00 177.57 177.13 1yiy h HIS 281 N -0.68 0.24 0.00 1.57 6.17 -0.90 -1.81 115.15 119.74 1yiy h HIS 281 Ca -0.04 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.05 1yiy h HIS 281 Cb 0.47 -0.04 -0.00 0.00 2.52 0.00 0.00 27.41 30.36 1yiy h HIS 281 CO 0.02 0.07 -0.07 -0.56 0.71 0.00 0.00 177.93 178.10 1yiy h GLN 282 N 0.29 0.00 -0.02 5.26 3.07 -1.36 -0.32 115.11 122.04 1yiy h GLN 282 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.95 1yiy h GLN 282 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 1yiy h GLN 282 CO -0.24 0.07 -0.36 0.09 0.09 0.00 0.00 178.83 178.47 1yiy n ASN 283 N -3.76 1.92 0.02 0.06 4.13 -0.91 -3.93 115.26 112.79 1yiy n ASN 283 Ca -0.02 -3.71 -0.01 0.00 1.68 0.00 0.00 54.58 52.51 1yiy n ASN 283 Cb 0.17 -0.51 -0.00 0.00 -1.54 0.00 0.00 39.78 37.89 1yiy n ASN 283 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yiy n VAL 285 N -3.25 0.00 0.00 0.00 0.24 -0.94 -5.03 118.33 109.34 1yiy n VAL 285 Ca -0.01 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1yiy n VAL 285 Cb 0.06 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1yiy n VAL 285 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yiy n TYR 286 N -1.12 0.00 -3.84 6.34 4.19 -0.21 -4.79 117.16 117.74 1yiy n TYR 286 Ca 0.00 0.00 -0.10 0.00 3.31 0.00 0.00 57.90 61.11 1yiy n TYR 286 Cb 0.00 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 39.77 1yiy n TYR 286 CO 0.00 0.00 0.00 -0.08 0.91 0.00 0.00 176.86 177.69 1yiy s THR 287 N 0.00 0.07 0.36 2.97 -1.32 -1.26 -4.53 115.64 111.93 1yiy s THR 287 Ca 0.00 -1.08 0.08 0.00 -1.21 0.00 0.00 61.69 59.48 1yiy s THR 287 Cb 0.00 -1.57 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1yiy s THR 287 CO 0.00 -0.34 0.15 0.00 -2.21 0.00 0.00 174.62 172.22 1yiy n ALA 289 N -1.17 0.60 0.05 0.00 0.00 -1.26 -4.69 120.51 114.04 1yiy n ALA 289 Ca -0.02 0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.65 1yiy n ALA 289 Cb 0.62 -2.23 -0.15 0.00 0.00 0.00 0.00 19.45 17.70 1yiy n ALA 289 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1yiy h THR 290 N 3.17 1.45 -0.06 0.00 1.35 -1.86 -3.04 112.91 113.91 1yiy h THR 290 Ca -0.45 -2.53 -0.06 0.00 -0.55 0.00 0.00 66.41 62.82 1yiy h THR 290 Cb 1.29 3.14 -0.01 0.00 -1.73 0.00 0.00 68.15 70.84 1yiy h THR 290 CO 0.78 0.72 -0.25 1.55 -0.25 0.00 0.00 175.52 178.07 1yiy h PRO 291 N -0.34 0.11 -0.19 4.72 0.13 -1.92 -1.08 132.00 133.43 1yiy h PRO 291 Ca -0.17 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.77 1yiy h PRO 291 Cb 1.68 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.80 1yiy h PRO 291 CO 0.15 0.36 -0.50 0.82 -0.23 0.00 0.00 178.00 178.60 1yiy h ILE 292 N 0.10 1.32 -0.20 -3.56 2.04 -1.93 -1.63 117.51 113.65 1yiy h ILE 292 Ca 0.02 -1.73 -0.06 0.00 1.00 0.00 0.00 64.86 64.08 1yiy h ILE 292 Cb 0.50 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1yiy h ILE 292 CO 0.04 0.54 -0.14 1.56 0.00 0.00 0.00 178.15 180.15 1yiy h GLN 293 N 0.37 0.32 -0.45 2.37 4.20 -1.39 0.42 115.11 120.95 1yiy h GLN 293 Ca -0.01 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 1yiy h GLN 293 Cb 1.12 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1yiy h GLN 293 CO 0.11 0.47 -0.27 1.49 -0.67 0.00 0.00 178.83 179.95 1yiy h GLU 294 N 0.30 0.98 -0.65 1.46 4.57 -1.08 -0.31 114.58 119.85 1yiy h GLU 294 Ca 0.06 -0.45 -0.07 0.00 -1.18 0.00 0.00 59.36 57.72 1yiy h GLU 294 Cb 0.43 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 1yiy h GLU 294 CO 0.03 1.12 0.15 0.00 -1.18 0.00 0.00 179.01 179.12 1yiy h ALA 295 N 0.83 0.85 -0.37 2.92 0.00 -0.51 -2.03 119.26 120.96 1yiy h ALA 295 Ca 0.09 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1yiy h ALA 295 Cb 0.86 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yiy h ALA 295 CO 0.08 0.58 -0.19 0.82 0.00 0.00 0.00 179.25 180.54 1yiy h ILE 296 N 0.96 1.26 -0.48 0.00 2.04 -0.90 -1.84 117.51 118.56 1yiy h ILE 296 Ca 0.20 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1yiy h ILE 296 Cb 0.38 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1yiy h ILE 296 CO 0.00 0.42 0.21 0.00 0.00 0.00 0.00 178.15 178.78 1yiy h ALA 297 N 1.18 0.62 -0.32 1.87 0.00 -0.59 -0.79 119.26 121.23 1yiy h ALA 297 Ca 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1yiy h ALA 297 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1yiy h ALA 297 CO 0.05 0.21 0.03 -0.39 0.00 0.00 0.00 179.25 179.15 1yiy h VAL 298 N 0.63 1.17 -0.56 0.00 -1.51 -1.22 -0.09 116.25 114.67 1yiy h VAL 298 Ca 0.16 -0.66 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 1yiy h VAL 298 Cb 0.16 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 30.20 1yiy h VAL 298 CO -0.02 0.23 0.33 1.23 -1.23 0.00 0.00 177.57 178.11 1yiy h GLY 299 N 0.75 0.82 0.94 5.19 0.00 -0.57 0.36 103.07 110.57 1yiy h GLY 299 Ca 0.11 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1yiy h GLY 299 CO 0.00 0.34 -0.08 0.74 0.00 0.00 0.00 176.54 177.54 1yiy h PHE 300 N 0.76 0.77 -0.87 5.60 -1.00 -0.70 -2.22 116.94 119.28 1yiy h PHE 300 Ca 0.20 -0.17 0.05 0.00 2.81 0.00 0.00 57.97 60.87 1yiy h PHE 300 Cb 0.01 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.33 1yiy h PHE 300 CO -0.02 0.84 0.57 0.93 -1.61 0.00 0.00 178.31 179.02 1yiy h GLU 301 N 0.48 0.99 0.02 1.51 5.08 -0.81 0.28 114.58 122.13 1yiy h GLU 301 Ca 0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1yiy h GLU 301 Cb 0.59 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1yiy h GLU 301 CO 0.04 0.65 -0.01 1.15 -1.00 0.00 0.00 179.01 179.84 1yiy h THR 302 N 1.02 1.13 -0.07 1.13 2.02 -0.75 -2.94 112.91 114.44 1yiy h THR 302 Ca 0.36 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1yiy h THR 302 Cb 0.14 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1yiy h THR 302 CO -0.13 0.11 -0.40 -0.33 0.37 0.00 0.00 175.52 175.15 1yiy h GLU 303 N -0.21 0.15 -0.77 6.66 4.39 -0.84 -2.91 114.58 121.05 1yiy h GLU 303 Ca -0.00 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.70 1yiy h GLU 303 Cb 0.20 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1yiy h GLU 303 CO 0.00 0.53 0.51 -0.07 -1.16 0.00 0.00 179.01 178.82 1yiy h LEU 304 N 0.13 0.71 0.00 1.33 4.07 -0.30 -0.17 115.31 121.09 1yiy h LEU 304 Ca 0.01 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1yiy h LEU 304 Cb 0.76 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1yiy h LEU 304 CO 0.06 0.45 0.00 0.29 -1.08 0.00 0.00 178.44 178.16 1yiy n LYS 305 N -4.49 0.17 -1.27 1.13 5.02 -1.10 -3.67 118.16 113.95 1yiy n LYS 305 Ca 0.12 0.10 0.02 0.00 -2.02 0.00 0.00 58.31 56.53 1yiy n LYS 305 Cb 0.24 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 1yiy n LYS 305 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1yiy n ARG 306 N -1.39 0.00 0.03 1.97 1.85 -0.21 -4.94 116.66 113.96 1yiy n ARG 306 Ca 0.08 -1.70 0.21 0.00 -1.00 0.00 0.00 57.85 55.44 1yiy n ARG 306 Cb 0.21 -0.02 0.72 0.00 -1.05 0.00 0.00 32.46 32.33 1yiy n ARG 306 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1yiy h LEU 307 N 0.72 0.00 -2.64 2.89 5.85 -1.25 0.41 115.31 121.29 1yiy h LEU 307 Ca -0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1yiy h LEU 307 Cb 1.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1yiy h LEU 307 CO 0.04 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 180.43 1yiy n LYS 308 N -4.12 2.66 -3.68 1.25 0.00 -1.26 -4.92 118.16 108.09 1yiy n LYS 308 Ca 0.09 -2.51 -0.35 0.00 -0.00 0.00 0.00 58.31 55.54 1yiy n LYS 308 Cb 0.62 -1.53 -0.05 0.00 -0.00 0.00 0.00 35.03 34.07 1yiy n LYS 308 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1yiy s SER 309 N -1.12 6.57 0.60 -5.58 0.01 0.14 -4.99 113.70 109.32 1yiy s SER 309 Ca 0.44 0.67 0.37 0.00 1.31 0.00 0.00 55.95 58.75 1yiy s SER 309 Cb 0.24 -2.13 1.89 0.00 0.21 0.00 0.00 66.02 66.23 1yiy s SER 309 CO 0.31 0.25 2.19 -0.65 0.41 0.00 0.00 173.24 175.76 1yiy h PRO 310 N 4.06 0.00 -0.00 12.44 0.11 -1.92 -1.56 132.00 145.13 1yiy h PRO 310 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1yiy h PRO 310 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1yiy h PRO 310 CO 0.65 0.02 -0.06 0.39 -0.21 0.00 0.00 178.00 178.79 1yiy n GLU 311 N -3.23 0.58 -1.74 1.05 4.71 -1.26 -4.00 120.64 116.76 1yiy n GLU 311 Ca -0.02 -0.12 -0.42 0.00 -0.01 0.00 0.00 57.16 56.59 1yiy n GLU 311 Cb 0.18 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.08 1yiy n GLU 311 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1yiy h TYR 313 N 8.31 0.00 0.00 0.00 3.20 -1.89 0.56 116.97 127.14 1yiy h TYR 313 Ca -0.45 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.38 1yiy h TYR 313 Cb 1.21 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1yiy h TYR 313 CO 0.77 0.00 -0.17 0.74 -1.64 0.00 0.00 178.16 177.86 1yiy h PHE 314 N 0.00 0.00 0.01 -3.82 0.04 -1.89 -2.33 116.94 108.95 1yiy h PHE 314 Ca 0.14 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.55 1yiy h PHE 314 Cb 0.64 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.73 1yiy h PHE 314 CO 0.00 0.17 -2.28 0.09 -0.60 0.00 0.00 178.31 175.69 1yiy n ASN 315 N -3.51 0.79 0.07 2.17 3.02 0.17 -4.60 115.26 113.37 1yiy n ASN 315 Ca -0.01 0.05 -0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1yiy n ASN 315 Cb 0.32 0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 39.78 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 0.01 0.00 -0.75 6.41 4.64 -0.80 -3.37 113.55 119.69 1yiy h SER 316 Ca -0.51 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.92 1yiy h SER 316 Cb 2.11 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.12 1yiy h SER 316 CO 0.01 0.62 0.36 -0.29 -0.87 0.00 0.00 176.83 176.66 1yiy h ILE 317 N 0.00 0.79 -0.53 0.95 6.09 -1.67 -2.33 117.51 120.81 1yiy h ILE 317 Ca -0.09 -0.20 -0.03 0.00 -1.37 0.00 0.00 64.86 63.17 1yiy h ILE 317 Cb 1.56 0.16 -0.02 0.00 0.47 0.00 0.00 36.82 38.99 1yiy h ILE 317 CO 0.06 0.11 0.22 0.77 -3.07 0.00 0.00 178.15 176.25 1yiy h SER 318 N 0.58 0.72 -0.94 2.19 4.64 -1.76 -1.52 113.55 117.46 1yiy h SER 318 Ca 0.38 -0.16 0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1yiy h SER 318 Cb 0.46 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.32 1yiy h SER 318 CO -0.31 0.68 0.62 1.23 -0.87 0.00 0.00 176.83 178.19 1yiy h GLY 319 N 0.72 1.34 0.97 -0.77 0.00 -1.67 0.86 103.07 104.52 1yiy h GLY 319 Ca 0.18 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1yiy h GLY 319 CO -0.02 0.46 0.18 -2.09 0.00 0.00 0.00 176.54 175.07 1yiy h GLU 320 N 1.25 0.42 0.00 4.80 4.81 -0.90 -3.09 114.58 121.88 1yiy h GLU 320 Ca 0.35 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.37 1yiy h GLU 320 Cb -0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1yiy h GLU 320 CO -0.09 0.34 -0.79 -0.07 -0.73 0.00 0.00 179.01 177.67 1yiy h LEU 321 N 0.39 0.00 -0.83 1.64 4.07 -1.08 -3.35 115.31 116.15 1yiy h LEU 321 Ca 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 1yiy h LEU 321 Cb 0.04 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 1yiy h LEU 321 CO -0.02 0.79 0.33 -0.03 -1.08 0.00 0.00 178.44 178.43 1yiy h MET 322 N 0.00 1.19 -0.70 1.13 4.05 -0.74 0.21 114.93 120.07 1yiy h MET 322 Ca -0.01 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.21 1yiy h MET 322 Cb 1.51 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 32.08 1yiy h MET 322 CO 0.10 0.96 0.47 0.00 0.23 0.00 0.00 176.91 178.66 1yiy h ALA 323 N 1.19 0.89 -0.51 0.39 0.00 -1.68 -1.25 119.26 118.29 1yiy h ALA 323 Ca 0.27 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1yiy h ALA 323 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1yiy h ALA 323 CO -0.02 0.31 0.01 0.87 0.00 0.00 0.00 179.25 180.41 1yiy h LYS 324 N 0.95 0.90 -0.05 0.00 1.57 -1.49 -2.17 116.57 116.27 1yiy h LYS 324 Ca 0.26 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1yiy h LYS 324 Cb -0.11 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1yiy h LYS 324 CO -0.06 0.92 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.65 1yiy h ARG 325 N 0.77 -0.00 -0.08 3.15 1.12 -0.40 -1.45 114.38 117.49 1yiy h ARG 325 Ca 0.15 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.98 1yiy h ARG 325 Cb 0.51 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.47 1yiy h ARG 325 CO 0.03 -0.00 -0.13 -0.44 -3.11 0.00 0.00 179.97 176.31 1yiy h ASP 326 N -0.00 0.11 -0.10 -3.80 3.32 -1.13 0.21 116.42 115.02 1yiy h ASP 326 Ca 0.02 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1yiy h ASP 326 Cb 0.04 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1yiy h ASP 326 CO -0.05 0.26 -0.12 0.22 -1.72 0.00 0.00 179.24 177.83 1yiy h TYR 327 N 0.11 0.32 -0.48 4.55 3.20 -1.17 -1.69 116.97 121.82 1yiy h TYR 327 Ca 0.02 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.72 1yiy h TYR 327 Cb 0.31 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1yiy h TYR 327 CO 0.00 0.70 0.01 1.98 -1.64 0.00 0.00 178.16 179.22 1yiy h MET 328 N -0.15 0.84 -0.97 1.82 4.05 -1.13 -1.54 114.93 117.84 1yiy h MET 328 Ca 0.01 -0.26 0.04 0.00 -0.28 0.00 0.00 59.70 59.21 1yiy h MET 328 Cb 0.66 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.32 1yiy h MET 328 CO 0.03 0.88 0.63 0.00 0.23 0.00 0.00 176.91 178.68 1yiy h ALA 329 N 0.93 1.30 -0.33 0.39 0.00 -0.95 -1.15 119.26 119.45 1yiy h ALA 329 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1yiy h ALA 329 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1yiy h ALA 329 CO 0.02 0.51 0.02 1.03 0.00 0.00 0.00 179.25 180.83 1yiy h SER 330 N 1.22 0.56 1.56 0.00 0.87 -1.00 -2.17 113.55 114.58 1yiy h SER 330 Ca 0.39 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1yiy h SER 330 Cb 0.03 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1yiy h SER 330 CO -0.13 0.71 -0.12 2.19 -0.53 0.00 0.00 176.83 178.95 1yiy h PHE 331 N 0.39 0.00 -0.03 2.24 -5.15 -0.97 -2.09 116.94 111.33 1yiy h PHE 331 Ca 0.10 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.83 1yiy h PHE 331 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.58 1yiy h PHE 331 CO 0.03 0.12 -0.14 -0.07 -2.00 0.00 0.00 178.31 176.25 1yiy h LEU 332 N 0.00 0.18 -1.45 2.10 3.38 -1.11 -2.58 115.31 115.83 1yiy h LEU 332 Ca -0.00 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 57.43 1yiy h LEU 332 Cb 0.93 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1yiy h LEU 332 CO 0.02 0.80 0.51 0.00 0.09 0.00 0.00 178.44 179.86 1yiy h ALA 333 N 0.38 1.91 0.11 1.53 0.00 -1.38 -1.66 119.26 120.15 1yiy h ALA 333 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1yiy h ALA 333 Cb 0.80 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1yiy h ALA 333 CO 0.03 -0.10 -0.19 1.49 0.00 0.00 0.00 179.25 180.48 1yiy h GLU 334 N 0.58 -0.36 0.00 0.00 4.22 -1.20 -2.48 114.58 115.34 1yiy h GLU 334 Ca 0.37 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.83 1yiy h GLU 334 Cb 0.63 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1yiy h GLU 334 CO -0.14 -0.24 0.00 0.28 -2.18 0.00 0.00 179.01 176.73 1yiy h VAL 335 N -0.37 0.00 0.00 0.32 2.07 -1.06 -3.45 116.25 113.75 1yiy h VAL 335 Ca 0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1yiy h VAL 335 Cb 0.39 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1yiy h VAL 335 CO -0.10 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.10 1yiy n GLY 336 N -0.19 1.07 3.90 2.17 0.00 -0.93 -4.99 105.19 106.23 1yiy n GLY 336 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.14 2.99 -0.43 1.61 -1.94 -0.66 -4.45 119.30 116.28 1yiy s MET 337 Ca 0.00 0.19 -0.00 0.00 -1.71 0.00 0.00 55.69 54.17 1yiy s MET 337 Cb 0.00 -2.20 0.12 0.00 2.01 0.00 0.00 34.83 34.76 1yiy s MET 337 CO 0.00 -0.75 0.20 -0.80 -0.01 0.00 0.00 175.02 173.65 1yiy s ASN 338 N -4.30 5.05 0.31 3.03 0.02 -0.71 -3.76 114.94 114.58 1yiy s ASN 338 Ca 0.55 -2.26 -0.27 0.00 -1.02 0.00 0.00 52.86 49.86 1yiy s ASN 338 Cb -0.11 -1.76 -0.10 0.00 0.02 0.00 0.00 41.25 39.30 1yiy s ASN 338 CO 0.48 -0.45 0.95 -2.16 0.02 0.00 0.00 177.10 175.93 1yiy s PRO 339 N 0.80 4.63 -0.37 -0.60 0.04 -1.26 -1.66 135.00 136.57 1yiy s PRO 339 Ca 0.11 1.36 -0.22 0.00 0.04 0.00 0.00 61.00 62.29 1yiy s PRO 339 Cb -0.22 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.44 1yiy s PRO 339 CO -0.05 0.32 0.71 0.99 0.04 0.00 0.00 177.00 179.01 1yiy s THR 340 N -1.53 4.80 -0.25 1.26 2.01 0.11 -4.44 115.64 117.59 1yiy s THR 340 Ca 0.49 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 62.85 1yiy s THR 340 Cb -0.20 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 1yiy s THR 340 CO 0.25 -0.42 1.36 -0.69 -0.69 0.00 0.00 174.62 174.43 1yiy s VAL 341 N 2.92 4.07 0.51 3.82 1.01 -0.07 -4.21 120.40 128.45 1yiy s VAL 341 Ca 0.27 1.24 -0.20 0.00 0.00 0.00 0.00 61.98 63.29 1yiy s VAL 341 Cb -0.14 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 1yiy s VAL 341 CO 0.17 -0.36 1.08 -2.16 0.00 0.00 0.00 175.10 173.83 1yiy s PRO 342 N 4.11 3.62 0.18 2.72 0.04 -1.26 -1.13 135.00 143.28 1yiy s PRO 342 Ca 0.59 1.48 0.23 0.00 0.04 0.00 0.00 61.00 63.34 1yiy s PRO 342 Cb -0.20 -2.07 0.20 0.00 0.04 0.00 0.00 34.50 32.47 1yiy s PRO 342 CO 0.22 -0.60 1.22 1.96 0.04 0.00 0.00 177.00 179.85 1yiy h GLN 343 N 1.44 0.00 -2.91 4.56 4.20 -1.53 -3.47 115.11 117.40 1yiy h GLN 343 Ca -0.50 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.26 1yiy h GLN 343 Cb 1.24 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.94 1yiy h GLN 343 CO 0.58 0.00 0.26 0.20 -0.67 0.00 0.00 178.83 179.20 1yiy s GLY 344 N -3.98 -0.29 0.00 3.46 0.00 -0.35 -0.41 107.32 105.75 1yiy s GLY 344 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.80 1yiy s GLY 344 CO 0.75 0.02 0.00 0.61 0.00 0.00 0.00 173.10 174.48 1yiy n GLY 345 N -0.43 -2.17 0.50 0.20 0.00 -0.70 -4.31 105.19 98.29 1yiy n GLY 345 Ca -0.09 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.18 0.00 -4.24 1.61 -0.00 -1.26 -5.01 117.16 108.09 1yiy n TYR 346 Ca 0.00 -0.76 -0.31 0.00 -0.00 0.00 0.00 57.90 56.83 1yiy n TYR 346 Cb 0.00 -0.14 -0.09 0.00 -0.00 0.00 0.00 39.34 39.11 1yiy n TYR 346 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 1yiy s PHE 347 N -1.77 2.92 -0.03 -3.48 0.08 -1.26 -1.42 117.98 113.01 1yiy s PHE 347 Ca 0.25 -0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.27 1yiy s PHE 347 Cb 0.24 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 1yiy s PHE 347 CO -0.03 0.44 -0.07 1.41 -0.10 0.00 0.00 175.22 176.87 1yiy s MET 348 N -2.02 0.89 -0.13 0.44 -2.45 0.19 -4.66 119.30 111.55 1yiy s MET 348 Ca 0.22 -0.23 -0.05 0.00 -1.25 0.00 0.00 55.69 54.38 1yiy s MET 348 Cb -0.11 -0.84 -0.04 0.00 1.25 0.00 0.00 34.83 35.09 1yiy s MET 348 CO 0.14 0.05 0.06 0.08 1.05 0.00 0.00 175.02 176.40 1yiy s VAL 349 N 0.41 4.79 0.01 10.11 1.01 -1.26 -0.49 120.40 134.98 1yiy s VAL 349 Ca -0.06 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1yiy s VAL 349 Cb -0.10 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1yiy s VAL 349 CO 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.60 1yiy s ALA 350 N -0.40 0.40 -0.36 5.51 0.00 -0.57 0.05 121.76 126.40 1yiy s ALA 350 Ca 0.09 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.46 1yiy s ALA 350 Cb -0.12 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1yiy s ALA 350 CO 0.02 0.05 0.82 0.34 0.00 0.00 0.00 175.76 176.99 1yiy s ASP 351 N -0.54 6.59 -0.13 0.00 3.68 -0.67 -1.00 116.67 124.60 1yiy s ASP 351 Ca -0.02 0.42 -0.19 0.00 2.13 0.00 0.00 52.55 54.89 1yiy s ASP 351 Cb -0.04 -2.42 -0.04 0.00 -1.45 0.00 0.00 42.92 38.97 1yiy s ASP 351 CO -0.00 -0.77 0.54 -1.66 0.13 0.00 0.00 175.17 173.41 1yiy s TRP 352 N 3.21 3.48 -0.13 -5.34 1.48 0.23 -1.73 118.94 120.13 1yiy s TRP 352 Ca 0.33 0.93 0.15 0.00 -1.06 0.00 0.00 56.10 56.45 1yiy s TRP 352 Cb -0.13 -2.64 0.32 0.00 -1.16 0.00 0.00 33.47 29.86 1yiy s TRP 352 CO 0.17 0.07 1.16 -1.13 -4.06 0.00 0.00 176.95 173.16 1yiy n SER 353 N 4.05 1.67 -2.44 -2.66 3.41 -1.26 -4.85 113.62 111.54 1yiy n SER 353 Ca -0.05 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.41 1yiy n SER 353 Cb 0.51 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1yiy n SER 353 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yiy n SER 354 N -0.92 -0.48 -4.55 4.04 7.64 -1.26 -4.83 113.62 113.26 1yiy n SER 354 Ca 0.14 -0.61 -0.38 0.00 1.01 0.00 0.00 58.87 59.03 1yiy n SER 354 Cb 0.73 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 1yiy n SER 354 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yiy n LEU 355 N 0.00 2.35 0.00 -3.43 4.77 -1.26 -4.92 117.00 114.51 1yiy n LEU 355 Ca 0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1yiy n LEU 355 Cb 0.00 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1yiy n LEU 355 CO 0.00 -1.33 0.00 0.47 -1.33 0.00 0.00 177.39 175.20 1yiy n ASP 356 N 14.61 0.00 -1.86 -1.43 9.92 -1.26 -4.57 116.55 131.96 1yiy n ASP 356 Ca 0.38 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.58 1yiy n ASP 356 Cb 0.48 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.88 1yiy n ASP 356 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1yiy n SER 357 N 0.00 4.61 -1.46 -2.24 7.64 -1.26 -4.04 113.62 116.86 1yiy n SER 357 Ca 0.00 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1yiy n SER 357 Cb 0.00 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 1yiy n SER 357 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1yiy n LYS 358 N 2.16 2.35 -0.27 1.43 2.85 -1.26 -4.69 118.16 120.72 1yiy n LYS 358 Ca 0.22 0.00 0.31 0.00 -1.05 0.00 0.00 58.31 57.79 1yiy n LYS 358 Cb 0.65 0.00 0.71 0.00 -0.65 0.00 0.00 35.03 35.74 1yiy n LYS 358 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1yiy h VAL 359 N 0.00 0.48 0.02 0.58 3.04 -1.95 0.48 116.25 118.90 1yiy h VAL 359 Ca 0.00 -0.02 -0.23 0.00 -1.01 0.00 0.00 66.70 65.44 1yiy h VAL 359 Cb 0.00 0.42 -0.03 0.00 -2.01 0.00 0.00 31.29 29.67 1yiy h VAL 359 CO 0.00 0.01 -1.13 -2.24 -1.01 0.00 0.00 177.57 173.20 1yiy h ASP 360 N 0.05 0.08 -3.20 3.17 2.03 -1.89 -3.45 116.42 113.21 1yiy h ASP 360 Ca 0.52 -0.09 -0.57 0.00 -0.73 0.00 0.00 57.03 56.15 1yiy h ASP 360 Cb 1.97 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 40.40 1yiy h ASP 360 CO -0.04 1.07 -0.28 -0.76 -1.03 0.00 0.00 179.24 178.20 1yiy s LEU 361 N -6.72 4.25 0.00 0.15 1.43 0.16 -4.98 118.68 112.97 1yiy s LEU 361 Ca -0.01 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1yiy s LEU 361 Cb 0.09 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1yiy s LEU 361 CO 0.83 0.04 0.00 1.07 0.23 0.00 0.00 176.35 178.52 1yiy n THR 362 N 0.07 0.00 0.00 5.49 5.66 -1.26 -4.48 114.28 119.76 1yiy n THR 362 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1yiy n THR 362 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1yiy n THR 362 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yiy n GLN 363 N 0.00 0.00 -1.24 1.09 6.02 -1.26 -4.90 117.38 117.09 1yiy n GLN 363 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1yiy n GLN 363 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 1yiy n GLN 363 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1yiy n GLU 364 N 0.00 2.86 -0.32 -1.09 0.00 -1.26 -4.73 120.64 116.10 1yiy n GLU 364 Ca 0.00 -1.76 0.15 0.00 0.00 0.00 0.00 57.16 55.55 1yiy n GLU 364 Cb 0.00 -2.35 0.34 0.00 0.00 0.00 0.00 31.44 29.43 1yiy n GLU 364 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1yiy h THR 365 N 2.40 0.46 -0.20 3.84 1.35 -1.91 0.62 112.91 119.48 1yiy h THR 365 Ca 0.50 -0.15 0.02 0.00 -0.55 0.00 0.00 66.41 66.23 1yiy h THR 365 Cb 0.90 -0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.30 1yiy h THR 365 CO 0.95 0.08 0.05 -0.78 -0.25 0.00 0.00 175.52 175.57 1yiy h ASP 366 N 0.43 0.04 0.00 5.36 3.58 -2.03 -3.41 116.42 120.37 1yiy h ASP 366 Ca 0.60 0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.07 1yiy h ASP 366 Cb 1.17 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1yiy h ASP 366 CO -0.53 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 175.88 1yiy n ALA 367 N -2.25 0.00 -2.48 -0.78 0.00 0.22 -5.00 120.51 110.21 1yiy n ALA 367 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 1yiy n ALA 367 Cb 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.42 1yiy n ALA 367 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yiy s ARG 368 N 0.00 1.89 0.46 0.00 1.81 -1.24 -5.02 118.95 116.85 1yiy s ARG 368 Ca 0.00 -1.11 0.18 0.00 -1.72 0.00 0.00 55.73 53.09 1yiy s ARG 368 Cb 0.00 -2.15 1.10 0.00 -0.45 0.00 0.00 34.95 33.45 1yiy s ARG 368 CO 0.00 0.50 1.99 0.87 -0.68 0.00 0.00 175.30 177.98 1yiy h LYS 369 N 3.97 0.00 0.00 3.54 1.57 -1.88 -2.32 116.57 121.45 1yiy h LYS 369 Ca -0.49 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.17 1yiy h LYS 369 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1yiy h LYS 369 CO 0.47 0.19 -0.56 0.38 -0.57 0.00 0.00 179.45 179.36 1yiy h ASP 370 N 0.00 0.00 -0.35 0.86 -0.00 -1.85 0.72 116.42 115.80 1yiy h ASP 370 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 56.96 1yiy h ASP 370 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.70 1yiy h ASP 370 CO 0.03 0.56 -0.06 1.88 -0.00 0.00 0.00 179.24 181.65 1yiy h TYR 371 N 0.00 0.73 -0.30 4.15 -1.99 -1.77 -1.59 116.97 116.20 1yiy h TYR 371 Ca -0.01 -0.15 -0.00 0.00 2.00 0.00 0.00 58.73 60.57 1yiy h TYR 371 Cb 1.09 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.63 1yiy h TYR 371 CO 0.00 0.81 0.17 0.00 -0.00 0.00 0.00 178.16 179.13 1yiy h ARG 372 N 0.45 0.41 -0.16 4.88 3.08 -1.20 -1.04 114.38 120.81 1yiy h ARG 372 Ca 0.09 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1yiy h ARG 372 Cb 0.56 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1yiy h ARG 372 CO 0.03 0.34 -0.03 0.35 -1.07 0.00 0.00 179.97 179.60 1yiy h PHE 373 N 0.36 0.33 -0.57 3.04 3.57 -0.90 -0.21 116.94 122.56 1yiy h PHE 373 Ca 0.10 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1yiy h PHE 373 Cb 0.05 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1yiy h PHE 373 CO -0.03 0.55 0.16 1.15 -2.23 0.00 0.00 178.31 177.91 1yiy h THR 374 N 0.01 1.23 -0.09 4.41 2.02 -1.16 0.19 112.91 119.52 1yiy h THR 374 Ca 0.04 -0.80 -0.17 0.00 0.77 0.00 0.00 66.41 66.26 1yiy h THR 374 Cb 0.44 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1yiy h THR 374 CO 0.01 0.30 -0.66 0.11 0.37 0.00 0.00 175.52 175.66 1yiy h LYS 375 N 0.84 0.37 -0.61 6.66 1.57 -1.13 -2.58 116.57 121.69 1yiy h LYS 375 Ca 0.19 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1yiy h LYS 375 Cb 0.27 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1yiy h LYS 375 CO -0.01 0.90 0.12 2.35 -0.57 0.00 0.00 179.45 182.24 1yiy h TRP 376 N 0.26 1.06 0.00 -1.35 7.01 -0.35 -2.08 115.95 120.50 1yiy h TRP 376 Ca -0.02 -0.14 -0.10 0.00 2.11 0.00 0.00 58.89 60.74 1yiy h TRP 376 Cb 1.20 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 1yiy h TRP 376 CO 0.04 0.90 -0.49 0.00 -2.79 0.00 0.00 178.44 176.09 1yiy h MET 377 N 0.91 0.00 -0.09 2.65 -0.00 -0.54 0.97 114.93 118.83 1yiy h MET 377 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.88 1yiy h MET 377 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.99 1yiy h MET 377 CO 0.01 0.49 0.02 1.15 -0.00 0.00 0.00 176.91 178.58 1yiy h THR 378 N 0.00 1.20 -0.37 -0.10 2.02 -1.26 0.92 112.91 115.32 1yiy h THR 378 Ca -0.00 -0.61 -0.15 0.00 0.77 0.00 0.00 66.41 66.41 1yiy h THR 378 Cb 0.94 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1yiy h THR 378 CO 0.06 0.17 -0.36 0.11 0.37 0.00 0.00 175.52 175.88 1yiy h LYS 379 N -0.08 0.86 0.02 6.66 1.57 -1.15 -2.57 116.57 121.89 1yiy h LYS 379 Ca 0.03 -0.43 -0.37 0.00 -1.87 0.00 0.00 60.65 58.01 1yiy h LYS 379 Cb 0.26 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1yiy h LYS 379 CO 0.00 1.07 -2.26 0.43 -0.57 0.00 0.00 179.45 178.12 1yiy n SER 380 N -4.06 1.34 -0.02 0.86 7.64 0.31 -4.62 113.62 115.07 1yiy n SER 380 Ca -0.02 0.04 0.03 0.00 1.01 0.00 0.00 58.87 59.93 1yiy n SER 380 Cb 0.52 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.54 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 -3.14 0.23 -1.12 0.44 0.31 -0.07 -5.02 118.33 109.97 1yiy n VAL 381 Ca -0.36 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 1yiy n VAL 381 Cb 1.06 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 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 1.90 0.61 3.02 2.92 0.00 0.12 -4.96 105.19 108.79 1yiy n GLY 382 Ca -0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 1.63 -0.18 0.99 0.20 -1.07 0.73 118.68 120.98 1yiy s LEU 383 Ca 0.00 -0.43 -0.04 0.00 0.69 0.00 0.00 54.13 54.35 1yiy s LEU 383 Cb 0.00 -1.08 -0.03 0.00 -0.43 0.00 0.00 46.19 44.66 1yiy s LEU 383 CO 0.00 -0.03 -0.02 -1.58 -0.29 0.00 0.00 176.35 174.43 1yiy s GLN 384 N 1.27 3.63 0.32 1.98 0.74 -0.45 -2.77 119.66 124.38 1yiy s GLN 384 Ca -0.01 -0.52 0.02 0.00 0.05 0.00 0.00 55.36 54.90 1yiy s GLN 384 Cb -0.14 -3.00 -0.01 0.00 1.10 0.00 0.00 33.01 30.97 1yiy s GLN 384 CO -0.06 0.11 0.07 0.41 -0.55 0.00 0.00 175.29 175.27 1yiy n GLY 385 N 3.93 3.58 3.33 2.59 0.00 -1.26 -1.22 105.19 116.14 1yiy n GLY 385 Ca -0.17 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 1yiy n GLY 385 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yiy s ILE 386 N -2.52 2.06 -0.33 -0.61 -1.09 0.12 -4.84 121.20 113.99 1yiy s ILE 386 Ca 0.09 -1.39 -0.25 0.00 -2.23 0.00 0.00 60.65 56.87 1yiy s ILE 386 Cb 0.00 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.12 1yiy s ILE 386 CO 0.07 0.31 0.86 -2.16 -1.23 0.00 0.00 174.94 172.79 1yiy s PRO 387 N -1.31 3.91 0.55 2.79 0.04 -1.26 -0.46 135.00 139.25 1yiy s PRO 387 Ca 0.11 0.61 0.36 0.00 0.04 0.00 0.00 61.00 62.12 1yiy s PRO 387 Cb -0.10 -3.76 1.85 0.00 0.04 0.00 0.00 34.50 32.53 1yiy s PRO 387 CO 0.02 -0.81 2.11 -1.35 0.04 0.00 0.00 177.00 177.01 1yiy h PRO 388 N 8.27 0.00 -0.56 0.56 0.11 -1.79 -2.46 132.00 136.12 1yiy h PRO 388 Ca -0.23 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.94 1yiy h PRO 388 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1yiy h PRO 388 CO 0.94 0.00 0.37 0.77 -0.21 0.00 0.00 178.00 179.87 1yiy h SER 389 N 0.00 0.43 0.00 -2.05 0.02 -1.86 -1.24 113.55 108.85 1yiy h SER 389 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1yiy h SER 389 Cb 0.15 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1yiy h SER 389 CO 0.00 0.27 0.24 0.00 -1.14 0.00 0.00 176.83 176.21 1yiy h ALA 390 N 1.70 1.22 -0.32 3.77 0.00 -1.83 -2.07 119.26 121.74 1yiy h ALA 390 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1yiy h ALA 390 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1yiy h ALA 390 CO -0.07 -0.22 0.01 1.19 0.00 0.00 0.00 179.25 180.16 1yiy n PHE 391 N -2.68 1.11 -4.36 0.00 3.72 -0.47 -4.95 117.46 109.84 1yiy n PHE 391 Ca -0.02 -0.96 -0.25 0.00 -0.05 0.00 0.00 57.45 56.17 1yiy n PHE 391 Cb 0.29 -0.37 -0.12 0.00 -0.94 0.00 0.00 39.48 38.34 1yiy n PHE 391 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1yiy s TYR 392 N -2.88 2.05 0.54 1.38 2.02 -0.78 -0.94 117.35 118.74 1yiy s TYR 392 Ca 0.44 -0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 56.52 1yiy s TYR 392 Cb 0.36 -1.05 -0.05 0.00 -0.40 0.00 0.00 41.96 40.81 1yiy s TYR 392 CO 0.09 0.36 1.24 -1.54 -1.57 0.00 0.00 175.55 174.12 1yiy s SER 393 N -2.40 5.53 0.26 2.29 1.04 -1.26 -4.73 113.70 114.42 1yiy s SER 393 Ca 0.15 2.47 -0.07 0.00 0.48 0.00 0.00 55.95 58.98 1yiy s SER 393 Cb -0.08 -2.61 0.45 0.00 0.10 0.00 0.00 66.02 63.88 1yiy s SER 393 CO 0.07 -1.37 1.60 -0.08 0.98 0.00 0.00 173.24 174.44 1yiy h GLU 394 N 1.43 0.03 0.00 4.02 4.22 -2.00 0.13 114.58 122.40 1yiy h GLU 394 Ca -0.50 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1yiy h GLU 394 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1yiy h GLU 394 CO 0.57 0.02 0.00 -1.00 -2.18 0.00 0.00 179.01 176.42 1yiy h PRO 395 N 0.03 0.00 -0.08 0.92 0.13 -2.02 -2.76 132.00 128.22 1yiy h PRO 395 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 1yiy h PRO 395 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1yiy h PRO 395 CO -0.83 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.03 1yiy n ASN 396 N -2.98 2.48 0.20 1.44 3.02 0.38 -4.62 115.26 115.19 1yiy n ASN 396 Ca -0.01 -1.72 0.16 0.00 -0.03 0.00 0.00 54.58 52.98 1yiy n ASN 396 Cb 0.19 -0.04 0.80 0.00 -0.61 0.00 0.00 39.78 40.11 1yiy n ASN 396 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1yiy h LYS 397 N 3.19 0.00 0.00 3.52 1.57 -1.09 -1.03 116.57 122.73 1yiy h LYS 397 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1yiy h LYS 397 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1yiy h LYS 397 CO 0.00 0.00 -0.09 1.12 -0.57 0.00 0.00 179.45 179.91 1yiy h HIS 398 N 0.00 0.00 0.00 -1.35 2.07 -1.82 -0.78 115.15 113.28 1yiy h HIS 398 Ca 0.08 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.59 1yiy h HIS 398 Cb 0.40 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.38 1yiy h HIS 398 CO 0.00 0.09 -0.05 -0.07 -3.07 0.00 0.00 177.93 174.82 1yiy h LEU 399 N 0.00 0.00 -1.20 6.12 3.38 -1.55 -2.90 115.31 119.17 1yiy h LEU 399 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yiy h LEU 399 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yiy h LEU 399 CO 0.01 0.05 -0.31 0.61 0.09 0.00 0.00 178.44 178.90 1yiy n GLY 400 N -0.37 0.20 0.21 0.83 0.00 -0.31 -4.58 105.19 101.18 1yiy n GLY 400 Ca -0.01 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.50 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 2.74 0.00 -0.02 1.61 5.08 -1.42 -2.21 114.58 120.37 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 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1yiy h GLU 401 CO 0.00 0.31 0.00 -0.25 -1.00 0.00 0.00 179.01 178.07 1yiy n ASP 402 N -3.65 0.41 -4.63 1.42 8.00 -1.26 -3.34 116.55 113.50 1yiy n ASP 402 Ca -0.01 -1.23 -0.27 0.00 0.71 0.00 0.00 54.79 53.98 1yiy n ASP 402 Cb 0.43 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.42 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 -1.98 2.52 -0.08 1.24 0.40 -0.83 -0.60 117.98 118.64 1yiy s PHE 403 Ca 0.41 -0.64 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 1yiy s PHE 403 Cb 0.20 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 41.99 1yiy s PHE 403 CO 0.32 0.43 0.28 0.08 0.70 0.00 0.00 175.22 177.03 1yiy s VAL 404 N -2.68 0.02 -0.22 -0.44 1.01 -0.17 -4.45 120.40 113.48 1yiy s VAL 404 Ca 0.36 -0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1yiy s VAL 404 Cb 0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1yiy s VAL 404 CO 0.18 -0.08 0.11 -0.60 0.00 0.00 0.00 175.10 174.72 1yiy s ARG 405 N -0.24 3.98 0.12 2.72 3.52 0.39 -1.52 118.95 127.93 1yiy s ARG 405 Ca -0.04 -0.32 0.11 0.00 -0.13 0.00 0.00 55.73 55.35 1yiy s ARG 405 Cb -0.03 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1yiy s ARG 405 CO 0.01 0.11 -0.27 0.71 -0.81 0.00 0.00 175.30 175.06 1yiy s TYR 406 N 0.85 2.28 -0.15 5.12 2.02 0.35 0.14 117.35 127.97 1yiy s TYR 406 Ca 0.06 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1yiy s TYR 406 Cb -0.13 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 1yiy s TYR 406 CO 0.03 0.31 -0.06 0.00 -1.57 0.00 0.00 175.55 174.26 1yiy n PHE 408 N 3.53 0.83 -1.90 0.00 -1.74 -0.51 -4.73 117.46 112.94 1yiy n PHE 408 Ca -0.18 -0.67 -0.42 0.00 -0.56 0.00 0.00 57.45 55.63 1yiy n PHE 408 Cb 0.53 -0.18 0.00 0.00 1.52 0.00 0.00 39.48 41.35 1yiy n PHE 408 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1yiy n PHE 409 N 0.22 3.56 -3.94 2.97 -0.00 -1.26 -4.74 117.46 114.28 1yiy n PHE 409 Ca 0.18 -2.95 -0.10 0.00 -0.00 0.00 0.00 57.45 54.58 1yiy n PHE 409 Cb 0.69 -2.47 -0.11 0.00 -0.00 0.00 0.00 39.48 37.59 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 2.86 0.36 0.15 -4.13 -0.14 -1.26 -3.36 119.74 114.22 1yiy s LYS 410 Ca 0.46 -0.52 -0.32 0.00 -1.36 0.00 0.00 55.97 54.23 1yiy s LYS 410 Cb 0.12 0.14 -0.17 0.00 -1.68 0.00 0.00 37.83 36.24 1yiy s LYS 410 CO -0.06 -0.07 0.91 1.63 -0.76 0.00 0.00 175.35 176.99 1yiy n LYS 411 N 1.59 0.51 -0.31 1.68 5.02 -1.26 -4.74 118.16 120.64 1yiy n LYS 411 Ca -0.23 0.18 0.16 0.00 -2.02 0.00 0.00 58.31 56.40 1yiy n LYS 411 Cb 0.55 -1.49 0.40 0.00 -0.02 0.00 0.00 35.03 34.47 1yiy n LYS 411 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1yiy h ASP 412 N 2.34 0.63 0.48 4.39 3.45 -1.99 -1.19 116.42 124.52 1yiy h ASP 412 Ca -0.39 0.07 -0.09 0.00 0.43 0.00 0.00 57.03 57.05 1yiy h ASP 412 Cb 1.40 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 40.12 1yiy h ASP 412 CO 0.63 0.23 -0.42 1.05 -1.57 0.00 0.00 179.24 179.16 1yiy h GLU 413 N 0.61 0.00 0.01 3.56 4.11 -1.99 -1.43 114.58 119.45 1yiy h GLU 413 Ca 0.54 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.75 1yiy h GLU 413 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1yiy h GLU 413 CO -0.30 0.42 -0.93 -0.91 0.07 0.00 0.00 179.01 177.36 1yiy h ASN 414 N 0.00 0.44 -0.80 3.06 2.35 -1.60 -1.55 115.58 117.48 1yiy h ASN 414 Ca -0.00 -0.36 -0.04 0.00 -0.55 0.00 0.00 56.30 55.34 1yiy h ASN 414 Cb 0.78 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.97 1yiy h ASN 414 CO 0.06 1.16 0.33 -0.07 -1.65 0.00 0.00 177.43 177.26 1yiy h LEU 415 N 0.19 1.10 -0.62 1.61 4.07 -1.01 -1.99 115.31 118.66 1yiy h LEU 415 Ca -0.07 -0.17 -0.14 0.00 0.08 0.00 0.00 57.88 57.58 1yiy h LEU 415 Cb 1.57 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 1yiy h LEU 415 CO 0.16 0.97 -0.47 0.06 -1.08 0.00 0.00 178.44 178.07 1yiy h GLN 416 N 1.17 0.53 -0.76 1.13 3.07 -1.23 -2.12 115.11 116.90 1yiy h GLN 416 Ca 0.27 -0.30 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 1yiy h GLN 416 Cb 0.20 0.02 -0.04 0.00 0.08 0.00 0.00 27.48 27.75 1yiy h GLN 416 CO -0.02 0.89 0.47 0.87 0.09 0.00 0.00 178.83 181.12 1yiy h LYS 417 N 0.42 1.02 -0.61 0.06 1.79 -0.95 -0.84 116.57 117.47 1yiy h LYS 417 Ca 0.02 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1yiy h LYS 417 Cb 0.99 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 1yiy h LYS 417 CO 0.09 0.71 0.35 0.00 -1.08 0.00 0.00 179.45 179.51 1yiy h ALA 418 N 1.25 1.47 -0.25 3.86 0.00 -1.15 -0.54 119.26 123.91 1yiy h ALA 418 Ca 0.27 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1yiy h ALA 418 Cb -0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1yiy h ALA 418 CO -0.05 0.45 -0.51 0.00 0.00 0.00 0.00 179.25 179.13 1yiy h ALA 419 N 1.54 0.63 -0.15 0.00 0.00 -0.63 -2.44 119.26 118.22 1yiy h ALA 419 Ca 0.22 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 1yiy h ALA 419 Cb -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1yiy h ALA 419 CO -0.04 0.68 -0.68 1.05 0.00 0.00 0.00 179.25 180.26 1yiy h GLU 420 N 0.54 0.61 -0.56 0.00 4.11 -0.62 -0.86 114.58 117.80 1yiy h GLU 420 Ca 0.02 -0.45 -0.05 0.00 0.07 0.00 0.00 59.36 58.95 1yiy h GLU 420 Cb 1.08 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1yiy h GLU 420 CO 0.11 1.07 0.16 0.97 0.07 0.00 0.00 179.01 181.39 1yiy h ILE 421 N 0.43 1.24 -0.50 -1.06 6.09 -1.12 0.19 117.51 122.79 1yiy h ILE 421 Ca -0.02 -0.83 -0.13 0.00 -1.37 0.00 0.00 64.86 62.51 1yiy h ILE 421 Cb 1.27 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.26 1yiy h ILE 421 CO 0.13 0.31 -0.18 -0.07 -3.07 0.00 0.00 178.15 175.27 1yiy h LEU 422 N 0.79 1.02 0.18 2.19 3.38 -1.35 0.22 115.31 121.75 1yiy h LEU 422 Ca 0.18 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1yiy h LEU 422 Cb 0.31 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1yiy h LEU 422 CO -0.00 1.17 -0.09 -0.09 0.09 0.00 0.00 178.44 179.52 1yiy h ARG 423 N 0.87 -0.23 -0.57 1.13 9.65 -0.95 0.50 114.38 124.78 1yiy h ARG 423 Ca 0.12 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 1yiy h ARG 423 Cb 0.75 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 1yiy h ARG 423 CO 0.06 -0.11 0.38 -0.22 2.80 0.00 0.00 179.97 182.88 1yiy h LYS 424 N -0.29 0.71 0.01 0.20 3.64 -0.54 0.50 116.57 120.81 1yiy h LYS 424 Ca -0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1yiy h LYS 424 Cb 0.23 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1yiy h LYS 424 CO 0.04 0.47 -0.01 2.35 -2.27 0.00 0.00 179.45 180.04 1yiy h TRP 425 N 0.73 -0.01 0.59 1.91 7.01 -0.10 -3.36 115.95 122.72 1yiy h TRP 425 Ca 0.22 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 1yiy h TRP 425 Cb -0.03 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1yiy h TRP 425 CO -0.00 0.39 -0.28 -0.22 -2.79 0.00 0.00 178.44 175.54 1yiy h LYS 426 N -0.43 -0.76 0.00 2.65 3.64 0.76 -3.49 116.57 118.95 1yiy h LYS 426 Ca -0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1yiy h LYS 426 Cb 0.41 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1yiy h LYS 426 CO 0.00 -0.47 0.00 0.41 -2.27 0.00 0.00 179.45 177.12 1yiy n GLY 427 N -0.42 0.86 3.40 5.01 0.00 0.17 -5.07 105.19 109.14 1yiy n GLY 427 Ca -0.11 -0.50 -0.59 0.00 0.00 0.00 0.00 46.02 44.82 1yiy n GLY 427 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yiy n SER 428 N 0.00 1.22 -0.56 1.61 7.64 -1.14 -5.04 113.62 117.34 1yiy n SER 428 Ca 0.00 0.74 0.07 0.00 1.01 0.00 0.00 58.87 60.69 1yiy n SER 428 Cb 0.00 -0.99 0.06 0.00 -1.01 0.00 0.00 64.21 62.27 1yiy n SER 428 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79