#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5y n MET 3 N 0.00 0.04 0.29 5.31 0.00 -1.26 -1.35 117.12 120.13 1a5y n MET 3 Ca 0.00 0.39 0.15 0.00 0.00 0.00 0.00 57.70 58.24 1a5y n MET 3 Cb 0.00 -1.92 0.88 0.00 0.00 0.00 0.00 33.22 32.19 1a5y n MET 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1a5y h GLU 4 N 0.00 0.00 -0.02 3.17 4.81 -1.97 -0.66 114.58 119.91 1a5y h GLU 4 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1a5y h GLU 4 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1a5y h GLU 4 CO 0.00 0.00 -0.09 0.87 -0.73 0.00 0.00 179.01 179.06 1a5y h LYS 5 N 0.00 0.09 -0.94 1.92 1.79 -1.65 -1.70 116.57 116.08 1a5y h LYS 5 Ca 0.01 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.47 1a5y h LYS 5 Cb 0.05 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.65 1a5y h LYS 5 CO -0.00 0.72 0.61 1.49 -1.08 0.00 0.00 179.45 181.19 1a5y h GLU 6 N -0.52 1.04 -0.08 3.15 4.81 -1.50 0.52 114.58 122.01 1a5y h GLU 6 Ca -0.00 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1a5y h GLU 6 Cb 0.74 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1a5y h GLU 6 CO 0.02 0.69 0.05 0.35 -0.73 0.00 0.00 179.01 179.38 1a5y h PHE 7 N 1.07 0.11 -1.00 0.92 3.57 -1.14 0.40 116.94 120.87 1a5y h PHE 7 Ca 0.41 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.03 1a5y h PHE 7 Cb 0.21 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 1a5y h PHE 7 CO -0.00 0.15 0.63 0.93 -2.23 0.00 0.00 178.31 177.79 1a5y h GLU 8 N 0.05 0.96 0.46 1.11 5.08 -0.13 -0.90 114.58 121.21 1a5y h GLU 8 Ca 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1a5y h GLU 8 Cb 0.07 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1a5y h GLU 8 CO -0.00 0.63 -0.22 0.37 -1.00 0.00 0.00 179.01 178.79 1a5y h GLN 9 N 0.99 -0.60 -0.88 2.33 4.15 -0.47 -1.65 115.11 118.98 1a5y h GLN 9 Ca 0.50 0.04 0.18 0.00 0.77 0.00 0.00 58.65 60.13 1a5y h GLN 9 Cb 0.50 0.14 -0.11 0.00 0.21 0.00 0.00 27.48 28.22 1a5y h GLN 9 CO -0.27 -0.40 0.44 0.82 -1.93 0.00 0.00 178.83 177.50 1a5y h ILE 10 N -1.05 0.64 0.17 2.39 2.04 -0.75 0.19 117.51 121.15 1a5y h ILE 10 Ca -0.06 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1a5y h ILE 10 Cb 0.47 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1a5y h ILE 10 CO 0.10 0.10 -0.08 -0.78 0.00 0.00 0.00 178.15 177.49 1a5y h ASP 11 N 0.56 -0.20 0.49 1.72 3.58 -1.24 0.21 116.42 121.55 1a5y h ASP 11 Ca 0.51 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.79 1a5y h ASP 11 Cb 0.82 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1a5y h ASP 11 CO -0.42 0.05 0.00 0.29 -2.88 0.00 0.00 179.24 176.28 1a5y n LYS 12 N -5.09 0.05 0.00 0.28 5.02 -0.28 -1.34 118.16 116.81 1a5y n LYS 12 Ca -0.09 0.21 0.07 0.00 -2.02 0.00 0.00 58.31 56.48 1a5y n LYS 12 Cb 0.19 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1a5y n LYS 12 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1a5y n SER 13 N -1.45 1.71 -2.40 4.39 7.64 0.52 -4.97 113.62 119.06 1a5y n SER 13 Ca 0.05 -1.36 -0.16 0.00 1.01 0.00 0.00 58.87 58.41 1a5y n SER 13 Cb 0.17 0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 1a5y n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a5y n GLY 14 N 0.95 -0.45 0.59 0.23 0.00 0.57 -4.86 105.19 102.21 1a5y n GLY 14 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1a5y n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a5y n SER 15 N -1.86 1.71 -0.23 1.61 3.41 -0.27 -4.50 113.62 113.49 1a5y n SER 15 Ca -0.19 -1.93 0.03 0.00 -0.26 0.00 0.00 58.87 56.52 1a5y n SER 15 Cb 0.64 -0.19 0.15 0.00 -0.26 0.00 0.00 64.21 64.54 1a5y n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1a5y h TRP 16 N 1.95 0.43 -0.68 7.33 4.06 -1.90 0.20 115.95 127.35 1a5y h TRP 16 Ca 0.00 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.91 1a5y h TRP 16 Cb 0.44 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.49 1a5y h TRP 16 CO 0.19 0.07 0.16 0.00 -3.56 0.00 0.00 178.44 175.30 1a5y h ALA 17 N 1.49 0.90 -0.23 1.49 0.00 -1.91 -0.55 119.26 120.44 1a5y h ALA 17 Ca 0.36 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1a5y h ALA 17 Cb 0.51 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1a5y h ALA 17 CO -0.37 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.25 1a5y h ALA 18 N 1.07 0.34 -0.06 0.00 0.00 -1.62 0.07 119.26 119.06 1a5y h ALA 18 Ca 0.21 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1a5y h ALA 18 Cb 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1a5y h ALA 18 CO 0.00 0.33 -0.12 0.82 0.00 0.00 0.00 179.25 180.28 1a5y h ILE 19 N 0.28 0.68 -0.45 0.00 1.08 -0.55 -1.18 117.51 117.36 1a5y h ILE 19 Ca 0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.51 1a5y h ILE 19 Cb 0.82 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1a5y h ILE 19 CO 0.06 0.00 0.29 0.22 -0.69 0.00 0.00 178.15 178.03 1a5y h TYR 20 N -0.18 0.55 -0.68 1.37 3.20 -1.00 -2.17 116.97 118.05 1a5y h TYR 20 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1a5y h TYR 20 Cb 0.26 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 1a5y h TYR 20 CO -0.21 0.34 0.40 1.96 -1.64 0.00 0.00 178.16 179.00 1a5y h GLN 21 N 0.59 0.93 0.00 1.82 1.08 -0.70 -1.65 115.11 117.18 1a5y h GLN 21 Ca 0.17 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1a5y h GLN 21 Cb -0.05 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1a5y h GLN 21 CO -0.05 0.66 -0.28 0.22 -0.95 0.00 0.00 178.83 178.43 1a5y h ASP 22 N 0.94 0.00 -0.31 1.46 3.58 -0.58 -0.07 116.42 121.44 1a5y h ASP 22 Ca 0.24 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.60 1a5y h ASP 22 Cb -0.02 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1a5y h ASP 22 CO -0.04 0.28 -0.14 0.40 -2.88 0.00 0.00 179.24 176.85 1a5y h ILE 23 N 0.00 1.26 -0.04 2.25 2.04 -1.01 0.91 117.51 122.91 1a5y h ILE 23 Ca -0.00 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1a5y h ILE 23 Cb 0.56 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1a5y h ILE 23 CO 0.04 0.41 0.01 0.03 0.00 0.00 0.00 178.15 178.63 1a5y h ARG 24 N 0.68 0.07 -0.96 2.37 3.08 -0.82 0.88 114.38 119.68 1a5y h ARG 24 Ca 0.11 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.27 1a5y h ARG 24 Cb 0.62 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 1a5y h ARG 24 CO 0.04 0.32 0.61 1.25 -1.07 0.00 0.00 179.97 181.12 1a5y h HIS 25 N -0.18 1.01 0.00 3.04 2.76 -0.60 -2.06 115.15 119.12 1a5y h HIS 25 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1a5y h HIS 25 Cb 0.28 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1a5y h HIS 25 CO 0.02 0.38 -0.66 0.93 -1.30 0.00 0.00 177.93 177.30 1a5y h GLU 26 N 0.86 0.00 -6.85 5.26 4.39 -0.58 -3.48 114.58 114.18 1a5y h GLU 26 Ca 0.48 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.62 1a5y h GLU 26 Cb 0.61 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.39 1a5y h GLU 26 CO -0.25 0.00 0.48 0.00 -1.16 0.00 0.00 179.01 178.08 1a5y n ALA 27 N -1.86 1.27 -1.13 3.43 0.00 0.28 -4.96 120.51 117.54 1a5y n ALA 27 Ca 0.03 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.37 1a5y n ALA 27 Cb 0.45 -2.27 0.12 0.00 0.00 0.00 0.00 19.45 17.76 1a5y n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a5y n SER 28 N 0.07 0.85 -3.72 0.00 7.64 -1.26 -5.04 113.62 112.15 1a5y n SER 28 Ca 0.07 0.59 -0.24 0.00 1.01 0.00 0.00 58.87 60.30 1a5y n SER 28 Cb 0.40 -1.48 -0.17 0.00 -1.01 0.00 0.00 64.21 61.95 1a5y n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1a5y s ASP 29 N -2.04 2.01 0.09 6.43 2.15 -1.26 -4.93 116.67 119.12 1a5y s ASP 29 Ca 0.73 -0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.39 1a5y s ASP 29 Cb -0.30 -0.41 -0.04 0.00 -0.30 0.00 0.00 42.92 41.87 1a5y s ASP 29 CO 0.51 -0.26 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.81 1a5y s PHE 30 N 1.99 0.97 0.57 -5.34 0.08 -1.26 -5.14 117.98 109.86 1a5y s PHE 30 Ca 0.03 -0.69 -0.19 0.00 0.12 0.00 0.00 56.93 56.19 1a5y s PHE 30 Cb -0.14 -0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 1a5y s PHE 30 CO -0.06 -0.04 1.22 -1.25 -0.10 0.00 0.00 175.22 174.98 1a5y s PRO 31 N -2.87 3.08 -0.34 0.24 0.04 -1.26 -4.85 135.00 129.03 1a5y s PRO 31 Ca 0.05 1.85 0.12 0.00 0.04 0.00 0.00 61.00 63.06 1a5y s PRO 31 Cb -0.02 -2.01 0.46 0.00 0.04 0.00 0.00 34.50 32.97 1a5y s PRO 31 CO -0.01 -1.13 1.09 0.00 0.04 0.00 0.00 177.00 176.99 1a5y h ARG 33 N 2.61 0.62 -0.67 0.00 3.08 -1.92 -2.64 114.38 115.44 1a5y h ARG 33 Ca 0.13 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1a5y h ARG 33 Cb 1.19 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1a5y h ARG 33 CO 0.62 0.41 0.27 0.28 -1.07 0.00 0.00 179.97 180.48 1a5y h VAL 34 N 0.64 1.24 -0.87 2.04 2.07 -1.92 -2.50 116.25 116.95 1a5y h VAL 34 Ca 0.23 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 67.08 1a5y h VAL 34 Cb 0.05 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 1a5y h VAL 34 CO -0.11 0.30 0.56 0.00 0.02 0.00 0.00 177.57 178.34 1a5y h ALA 35 N 1.12 1.64 -0.00 1.67 0.00 -1.80 -2.42 119.26 119.47 1a5y h ALA 35 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a5y h ALA 35 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a5y h ALA 35 CO -0.02 0.19 -0.14 1.63 0.00 0.00 0.00 179.25 180.92 1a5y n LYS 36 N -4.52 0.52 -1.71 0.00 4.76 -0.97 -4.60 118.16 111.64 1a5y n LYS 36 Ca 0.14 -0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 1a5y n LYS 36 Cb 0.29 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1a5y n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1a5y n LEU 37 N -1.09 3.90 -0.25 -0.35 4.32 -0.91 -4.87 117.00 117.75 1a5y n LEU 37 Ca 0.12 1.19 0.15 0.00 -0.02 0.00 0.00 56.01 57.46 1a5y n LEU 37 Cb 0.29 -1.51 0.44 0.00 -1.62 0.00 0.00 43.42 41.02 1a5y n LEU 37 CO 0.25 -0.40 1.22 -0.65 -1.22 0.00 0.00 177.39 176.59 1a5y h PRO 38 N 2.51 0.53 0.00 3.23 0.11 -1.91 -0.58 132.00 135.90 1a5y h PRO 38 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1a5y h PRO 38 Cb 1.28 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1a5y h PRO 38 CO 0.62 0.35 -0.10 1.57 -0.21 0.00 0.00 178.00 180.23 1a5y h LYS 39 N 0.54 0.00 -0.69 1.05 2.10 -1.94 -2.62 116.57 115.01 1a5y h LYS 39 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1a5y h LYS 39 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1a5y h LYS 39 CO -0.19 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 177.45 1a5y n ASN 40 N -3.57 3.90 -0.11 7.07 3.02 -0.23 -4.54 115.26 120.80 1a5y n ASN 40 Ca -0.02 -2.00 -0.05 0.00 -0.03 0.00 0.00 54.58 52.48 1a5y n ASN 40 Cb 0.23 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 1a5y n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1a5y h LYS 41 N 4.33 0.18 0.00 3.52 3.64 -1.42 -0.72 116.57 126.10 1a5y h LYS 41 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1a5y h LYS 41 Cb 0.99 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1a5y h LYS 41 CO 0.00 0.12 0.00 0.27 -2.27 0.00 0.00 179.45 177.57 1a5y n ASN 42 N -5.10 0.00 -1.11 4.20 0.23 -1.26 -2.67 115.26 109.55 1a5y n ASN 42 Ca 0.02 -1.19 0.12 0.00 -0.53 0.00 0.00 54.58 52.99 1a5y n ASN 42 Cb 0.17 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.11 1a5y n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1a5y n ARG 43 N -0.84 2.44 -4.99 -3.83 1.74 -0.28 -4.89 116.66 106.01 1a5y n ARG 43 Ca 0.15 -2.18 -0.29 0.00 -0.77 0.00 0.00 57.85 54.76 1a5y n ARG 43 Cb 0.07 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 29.84 1a5y n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1a5y s ASN 44 N -1.43 2.59 -0.02 0.55 0.01 -1.09 -4.37 114.94 111.19 1a5y s ASN 44 Ca 0.39 -0.46 -0.23 0.00 -0.71 0.00 0.00 52.86 51.86 1a5y s ASN 44 Cb 0.22 -1.11 -0.21 0.00 0.41 0.00 0.00 41.25 40.57 1a5y s ASN 44 CO 0.31 0.13 1.14 -0.09 -1.51 0.00 0.00 177.10 177.07 1a5y h ARG 45 N 6.70 0.26 -5.16 -0.60 2.43 -1.88 -3.44 114.38 112.69 1a5y h ARG 45 Ca -0.25 -0.22 -0.67 0.00 -0.81 0.00 0.00 59.98 58.03 1a5y h ARG 45 Cb 1.21 0.05 -0.32 0.00 -0.42 0.00 0.00 29.97 30.49 1a5y h ARG 45 CO 0.47 0.88 -0.82 0.71 -1.51 0.00 0.00 179.97 179.70 1a5y s TYR 46 N -3.52 2.77 0.39 2.20 2.02 -1.26 -4.99 117.35 114.96 1a5y s TYR 46 Ca -0.15 -1.20 0.14 0.00 -0.37 0.00 0.00 57.07 55.49 1a5y s TYR 46 Cb 0.03 -1.89 0.97 0.00 -0.40 0.00 0.00 41.96 40.66 1a5y s TYR 46 CO 0.76 -0.56 1.87 -0.09 -1.57 0.00 0.00 175.55 175.95 1a5y h ARG 47 N 7.47 0.51 -0.01 -0.62 9.65 -1.98 -1.50 114.38 127.91 1a5y h ARG 47 Ca -0.35 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1a5y h ARG 47 Cb 1.18 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1a5y h ARG 47 CO 0.58 0.34 -0.13 -0.25 2.80 0.00 0.00 179.97 183.30 1a5y n ASP 48 N -4.53 0.66 -4.04 -3.80 9.92 -1.26 -4.70 116.55 108.79 1a5y n ASP 48 Ca 0.18 -0.73 -0.31 0.00 -0.53 0.00 0.00 54.79 53.39 1a5y n ASP 48 Cb 0.58 -0.02 -0.15 0.00 -0.64 0.00 0.00 41.12 40.89 1a5y n ASP 48 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1a5y s VAL 49 N -2.43 2.22 0.13 2.53 1.01 -0.57 -5.08 120.40 118.21 1a5y s VAL 49 Ca 0.29 -2.04 0.06 0.00 0.00 0.00 0.00 61.98 60.29 1a5y s VAL 49 Cb 0.20 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1a5y s VAL 49 CO 0.47 -0.36 -0.13 -0.44 0.00 0.00 0.00 175.10 174.64 1a5y s SER 50 N 0.99 1.95 0.12 3.32 0.01 -1.26 -4.61 113.70 114.22 1a5y s SER 50 Ca 0.03 -0.87 -0.24 0.00 1.31 0.00 0.00 55.95 56.18 1a5y s SER 50 Cb -0.19 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 1a5y s SER 50 CO -0.07 -0.20 0.72 -2.16 0.41 0.00 0.00 173.24 171.95 1a5y s PRO 51 N -2.98 4.47 0.52 12.44 0.04 -1.26 -4.53 135.00 143.69 1a5y s PRO 51 Ca 0.11 1.04 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 1a5y s PRO 51 Cb -0.03 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 1a5y s PRO 51 CO 0.03 0.52 1.21 -0.06 0.04 0.00 0.00 177.00 178.73 1a5y s PHE 52 N -0.89 2.61 0.42 0.56 0.08 -1.26 -4.56 117.98 114.94 1a5y s PHE 52 Ca 0.35 1.50 0.10 0.00 0.12 0.00 0.00 56.93 59.00 1a5y s PHE 52 Cb -0.22 -3.47 0.89 0.00 -0.57 0.00 0.00 43.02 39.66 1a5y s PHE 52 CO 0.24 -1.95 1.99 -0.44 -0.10 0.00 0.00 175.22 174.96 1a5y h ASP 53 N 1.52 0.24 0.82 1.36 3.32 -1.23 -2.08 116.42 120.36 1a5y h ASP 53 Ca -0.50 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.47 1a5y h ASP 53 Cb 1.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1a5y h ASP 53 CO 0.58 0.30 -0.25 1.12 -1.72 0.00 0.00 179.24 179.27 1a5y h HIS 54 N 0.26 0.00 0.00 4.55 2.07 -1.91 -3.29 115.15 116.83 1a5y h HIS 54 Ca 0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.58 1a5y h HIS 54 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 1a5y h HIS 54 CO 0.00 0.25 0.00 -1.13 -3.07 0.00 0.00 177.93 173.98 1a5y n SER 55 N -3.47 1.23 -4.75 3.10 3.41 -1.13 -5.06 113.62 106.95 1a5y n SER 55 Ca -0.00 -1.29 -0.36 0.00 -0.26 0.00 0.00 58.87 56.96 1a5y n SER 55 Cb 0.42 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1a5y n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5y s ARG 56 N -0.29 2.87 -0.11 4.33 1.70 -0.80 -0.32 118.95 126.34 1a5y s ARG 56 Ca 0.00 1.80 -0.21 0.00 -0.47 0.00 0.00 55.73 56.84 1a5y s ARG 56 Cb 0.00 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 1a5y s ARG 56 CO 0.00 -1.27 0.62 0.42 -1.08 0.00 0.00 175.30 173.98 1a5y s ILE 57 N -1.68 5.09 -0.12 4.99 1.09 0.26 -4.73 121.20 126.10 1a5y s ILE 57 Ca 0.77 1.25 -0.08 0.00 -1.10 0.00 0.00 60.65 61.48 1a5y s ILE 57 Cb -0.30 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.11 1a5y s ILE 57 CO 0.35 0.25 0.17 -0.54 -0.10 0.00 0.00 174.94 175.07 1a5y s LYS 58 N 0.96 3.59 0.35 2.79 1.02 -1.26 -4.30 119.74 122.89 1a5y s LYS 58 Ca 0.32 -0.07 -0.25 0.00 0.02 0.00 0.00 55.97 55.99 1a5y s LYS 58 Cb -0.17 -3.22 -0.10 0.00 -0.52 0.00 0.00 37.83 33.82 1a5y s LYS 58 CO 0.14 0.71 0.96 -0.51 -0.92 0.00 0.00 175.35 175.73 1a5y s LEU 59 N -0.86 4.23 -1.33 3.17 1.43 0.07 -4.94 118.68 120.45 1a5y s LEU 59 Ca 0.15 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1a5y s LEU 59 Cb -0.12 -4.15 0.12 0.00 0.03 0.00 0.00 46.19 42.07 1a5y s LEU 59 CO 0.04 -0.18 1.93 1.41 0.23 0.00 0.00 176.35 179.79 1a5y n HIS 60 N 0.23 3.43 -3.70 0.29 8.25 -1.26 -4.55 115.22 117.91 1a5y n HIS 60 Ca 0.03 -2.91 -0.11 0.00 -0.26 0.00 0.00 57.72 54.47 1a5y n HIS 60 Cb 0.51 -2.20 -0.10 0.00 1.12 0.00 0.00 29.99 29.33 1a5y n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1a5y s GLN 61 N 1.57 0.49 0.26 -0.41 -2.07 -1.26 -5.03 119.66 113.22 1a5y s GLN 61 Ca 0.43 0.77 0.25 0.00 -1.82 0.00 0.00 55.36 55.00 1a5y s GLN 61 Cb 0.09 0.12 0.89 0.00 -1.09 0.00 0.00 33.01 33.02 1a5y s GLN 61 CO -0.02 -0.12 1.75 1.05 -1.32 0.00 0.00 175.29 176.64 1a5y h GLU 62 N 6.35 0.00 0.00 9.60 9.09 -2.02 -3.33 114.58 134.27 1a5y h GLU 62 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.09 1a5y h GLU 62 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1a5y h GLU 62 CO 0.24 0.00 0.00 -3.47 0.05 0.00 0.00 179.01 175.83 1a5y n ASP 63 N -2.35 0.00 -3.46 3.06 2.03 -1.26 -4.78 116.55 109.79 1a5y n ASP 63 Ca 0.04 0.71 -0.17 0.00 0.52 0.00 0.00 54.79 55.89 1a5y n ASP 63 Cb 0.35 -0.26 -0.12 0.00 -0.72 0.00 0.00 41.12 40.37 1a5y n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1a5y s ASN 64 N -2.00 1.19 -0.03 1.67 3.84 -1.26 -5.02 114.94 113.33 1a5y s ASN 64 Ca 0.00 -0.16 0.05 0.00 0.21 0.00 0.00 52.86 52.96 1a5y s ASN 64 Cb 0.00 0.52 0.18 0.00 -0.55 0.00 0.00 41.25 41.40 1a5y s ASN 64 CO 0.00 -0.32 1.00 -0.90 -2.79 0.00 0.00 177.10 174.09 1a5y n ASP 65 N 5.33 1.51 -4.76 -4.21 5.68 -1.25 -4.84 116.55 114.01 1a5y n ASP 65 Ca -0.05 -2.10 -0.39 0.00 -0.50 0.00 0.00 54.79 51.75 1a5y n ASP 65 Cb 0.49 -0.30 -0.05 0.00 -1.14 0.00 0.00 41.12 40.12 1a5y n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1a5y s TYR 66 N -1.62 3.68 -0.16 2.11 5.04 -1.26 -0.75 117.35 124.39 1a5y s TYR 66 Ca 0.13 1.23 -0.11 0.00 -2.44 0.00 0.00 57.07 55.88 1a5y s TYR 66 Cb 0.08 -2.64 0.05 0.00 0.35 0.00 0.00 41.96 39.80 1a5y s TYR 66 CO 0.07 0.33 0.41 -1.50 -1.34 0.00 0.00 175.55 173.51 1a5y s ILE 67 N -0.12 -0.02 -0.99 3.14 2.07 -1.26 -4.92 121.20 119.10 1a5y s ILE 67 Ca 0.32 0.06 -0.24 0.00 -1.41 0.00 0.00 60.65 59.39 1a5y s ILE 67 Cb -0.18 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 1a5y s ILE 67 CO 0.18 0.02 1.81 0.21 -1.91 0.00 0.00 174.94 175.25 1a5y s ASN 68 N 0.98 5.56 -0.19 4.50 3.84 -1.26 -4.62 114.94 123.75 1a5y s ASN 68 Ca -0.06 -1.09 -0.16 0.00 0.21 0.00 0.00 52.86 51.76 1a5y s ASN 68 Cb -0.06 -2.57 0.05 0.00 -0.55 0.00 0.00 41.25 38.12 1a5y s ASN 68 CO -0.08 -2.40 0.49 0.00 -2.79 0.00 0.00 177.10 172.33 1a5y s ALA 69 N 8.62 -1.23 -0.05 1.71 0.00 -1.26 -3.40 121.76 126.15 1a5y s ALA 69 Ca 0.63 1.47 0.05 0.00 0.00 0.00 0.00 51.96 54.11 1a5y s ALA 69 Cb -0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1a5y s ALA 69 CO -0.01 -0.25 -0.22 -1.12 0.00 0.00 0.00 175.76 174.17 1a5y s SER 70 N 0.50 2.68 -0.63 0.00 0.01 -0.41 -0.57 113.70 115.28 1a5y s SER 70 Ca -0.02 -0.44 -0.24 0.00 1.31 0.00 0.00 55.95 56.56 1a5y s SER 70 Cb -0.04 -0.70 0.05 0.00 0.21 0.00 0.00 66.02 65.54 1a5y s SER 70 CO -0.02 0.21 0.99 -0.22 0.41 0.00 0.00 173.24 174.61 1a5y s LEU 71 N -0.12 4.14 -0.49 2.44 2.96 0.57 -1.11 118.68 127.06 1a5y s LEU 71 Ca -0.03 -0.69 -0.26 0.00 -0.22 0.00 0.00 54.13 52.94 1a5y s LEU 71 Cb -0.12 -2.59 0.03 0.00 0.50 0.00 0.00 46.19 44.01 1a5y s LEU 71 CO 0.03 -1.40 0.98 -0.63 -1.32 0.00 0.00 176.35 174.00 1a5y s ILE 72 N 4.21 4.38 -0.42 6.68 1.09 0.87 -4.89 121.20 133.11 1a5y s ILE 72 Ca 0.27 0.72 -0.08 0.00 -1.10 0.00 0.00 60.65 60.45 1a5y s ILE 72 Cb -0.14 -4.51 0.08 0.00 -1.06 0.00 0.00 42.46 36.83 1a5y s ILE 72 CO 0.14 -0.97 0.25 -0.75 -0.10 0.00 0.00 174.94 173.51 1a5y s LYS 73 N 4.00 2.54 -0.63 2.79 2.20 -1.26 -1.09 119.74 128.29 1a5y s LYS 73 Ca 0.38 -1.50 -0.19 0.00 -0.36 0.00 0.00 55.97 54.29 1a5y s LYS 73 Cb -0.10 -3.75 0.11 0.00 -1.51 0.00 0.00 37.83 32.57 1a5y s LYS 73 CO 0.25 -0.97 0.77 -1.64 -0.36 0.00 0.00 175.35 173.41 1a5y s MET 74 N 1.39 3.11 0.07 4.03 -1.94 -0.06 -4.93 119.30 120.98 1a5y s MET 74 Ca 0.03 -1.32 -0.35 0.00 -1.71 0.00 0.00 55.69 52.34 1a5y s MET 74 Cb -0.23 -4.31 -0.18 0.00 2.01 0.00 0.00 34.83 32.12 1a5y s MET 74 CO 0.01 -1.59 1.60 1.49 -0.01 0.00 0.00 175.02 176.52 1a5y h GLU 75 N 9.17 -1.00 0.05 2.03 4.81 -1.96 0.11 114.58 127.78 1a5y h GLU 75 Ca -0.25 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1a5y h GLU 75 Cb 1.08 0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.63 1a5y h GLU 75 CO 1.10 -0.67 -0.48 1.49 -0.73 0.00 0.00 179.01 179.72 1a5y h GLU 76 N -1.04 -0.64 0.00 1.92 4.57 -1.96 -1.23 114.58 116.20 1a5y h GLU 76 Ca -0.09 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1a5y h GLU 76 Cb 0.84 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1a5y h GLU 76 CO 0.10 -0.42 0.00 0.00 -1.18 0.00 0.00 179.01 177.51 1a5y h ALA 77 N -0.27 1.00 -5.75 2.92 0.00 -1.94 -3.47 119.26 111.74 1a5y h ALA 77 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 1a5y h ALA 77 Cb 0.71 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.62 1a5y h ALA 77 CO -0.31 0.00 -0.76 1.04 0.00 0.00 0.00 179.25 179.22 1a5y n GLN 78 N -2.63 -1.72 -3.72 0.00 6.02 0.35 -4.93 117.38 110.74 1a5y n GLN 78 Ca 0.01 0.83 -0.13 0.00 -0.01 0.00 0.00 57.00 57.70 1a5y n GLN 78 Cb 0.24 -5.11 -0.10 0.00 1.02 0.00 0.00 30.24 26.30 1a5y n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1a5y s ARG 79 N -4.70 0.54 0.08 -1.09 6.06 -0.92 -4.96 118.95 113.96 1a5y s ARG 79 Ca 0.37 0.51 0.06 0.00 -2.50 0.00 0.00 55.73 54.17 1a5y s ARG 79 Cb -0.08 0.26 -0.03 0.00 0.06 0.00 0.00 34.95 35.16 1a5y s ARG 79 CO 0.79 -0.08 -0.16 -1.12 -2.50 0.00 0.00 175.30 172.23 1a5y s SER 80 N 0.02 1.90 0.02 -2.12 0.01 -1.26 -0.88 113.70 111.39 1a5y s SER 80 Ca -0.02 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.55 1a5y s SER 80 Cb -0.03 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1a5y s SER 80 CO 0.01 -0.05 0.08 -0.31 0.41 0.00 0.00 173.24 173.38 1a5y s TYR 81 N -1.32 0.17 -0.29 2.43 1.51 -0.25 -3.95 117.35 115.66 1a5y s TYR 81 Ca 0.01 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 1a5y s TYR 81 Cb -0.10 -0.13 0.02 0.00 -0.11 0.00 0.00 41.96 41.64 1a5y s TYR 81 CO 0.03 -0.30 0.03 0.42 -1.11 0.00 0.00 175.55 174.62 1a5y s ILE 82 N -1.99 3.53 -0.13 2.71 1.01 -0.36 -0.09 121.20 125.87 1a5y s ILE 82 Ca -0.10 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 1a5y s ILE 82 Cb -0.05 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1a5y s ILE 82 CO -0.02 0.06 0.20 -0.76 0.00 0.00 0.00 174.94 174.43 1a5y s LEU 83 N 1.41 4.32 0.08 2.97 1.43 -0.27 -0.38 118.68 128.25 1a5y s LEU 83 Ca 0.01 0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1a5y s LEU 83 Cb -0.18 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 1a5y s LEU 83 CO 0.00 0.27 0.15 0.28 0.23 0.00 0.00 176.35 177.29 1a5y s THR 84 N -0.36 0.16 0.74 5.49 -1.32 -0.71 -1.29 115.64 118.35 1a5y s THR 84 Ca 0.15 -1.28 -0.11 0.00 -1.21 0.00 0.00 61.69 59.24 1a5y s THR 84 Cb -0.13 -1.35 0.04 0.00 -1.51 0.00 0.00 72.50 69.55 1a5y s THR 84 CO 0.04 -0.70 1.08 0.00 -2.21 0.00 0.00 174.62 172.82 1a5y s GLN 85 N -3.82 2.56 0.16 7.08 -2.07 -1.22 -3.75 119.66 118.60 1a5y s GLN 85 Ca 0.05 0.72 -0.31 0.00 -1.82 0.00 0.00 55.36 54.00 1a5y s GLN 85 Cb 0.05 -1.97 -0.09 0.00 -1.09 0.00 0.00 33.01 29.91 1a5y s GLN 85 CO -0.11 -1.31 1.47 0.20 -1.32 0.00 0.00 175.29 174.22 1a5y s GLY 86 N -3.95 1.88 0.53 2.60 0.00 -0.15 -4.90 107.32 103.33 1a5y s GLY 86 Ca 0.59 1.25 -0.20 0.00 0.00 0.00 0.00 44.72 46.36 1a5y s GLY 86 CO 0.54 2.44 0.90 -1.55 0.00 0.00 0.00 173.10 175.43 1a5y n PRO 87 N 3.65 0.98 -3.09 2.90 -0.04 -1.26 -4.72 135.00 133.42 1a5y n PRO 87 Ca 0.11 0.37 -0.22 0.00 -0.04 0.00 0.00 63.50 63.72 1a5y n PRO 87 Cb 0.40 -2.04 0.01 0.00 -0.04 0.00 0.00 33.50 31.83 1a5y n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a5y s LEU 88 N -1.00 3.72 0.38 1.53 1.43 -1.26 -1.78 118.68 121.70 1a5y s LEU 88 Ca 0.70 0.17 0.18 0.00 -1.03 0.00 0.00 54.13 54.15 1a5y s LEU 88 Cb -0.47 -3.06 1.09 0.00 0.03 0.00 0.00 46.19 43.78 1a5y s LEU 88 CO 0.52 -0.65 1.75 -0.65 0.23 0.00 0.00 176.35 177.55 1a5y h PRO 89 N 0.51 0.39 0.00 1.29 0.11 -1.96 0.25 132.00 132.58 1a5y h PRO 89 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1a5y h PRO 89 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1a5y h PRO 89 CO 0.56 0.26 -0.52 0.27 -0.21 0.00 0.00 178.00 178.36 1a5y n ASN 90 N -4.70 0.51 -0.76 -2.05 6.94 -1.26 -4.30 115.26 109.64 1a5y n ASN 90 Ca 0.27 -0.26 0.07 0.00 -0.02 0.00 0.00 54.58 54.64 1a5y n ASN 90 Cb 0.91 0.27 0.21 0.00 -2.36 0.00 0.00 39.78 38.80 1a5y n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1a5y n THR 91 N -1.52 1.68 0.10 5.53 -2.24 0.86 -4.64 114.28 114.04 1a5y n THR 91 Ca 0.05 -1.47 -0.03 0.00 -2.27 0.00 0.00 64.05 60.34 1a5y n THR 91 Cb 0.34 0.10 0.17 0.00 -2.10 0.00 0.00 70.33 68.84 1a5y n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5y h GLY 93 N 1.40 0.53 0.61 0.00 0.00 -1.90 -2.47 103.07 101.23 1a5y h GLY 93 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 47.33 46.98 1a5y h GLY 93 CO 0.08 0.36 0.03 0.45 0.00 0.00 0.00 176.54 177.46 1a5y h HIS 94 N 0.27 0.04 -0.48 5.60 -0.00 -1.82 0.35 115.15 119.11 1a5y h HIS 94 Ca 0.08 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.55 1a5y h HIS 94 Cb 0.44 0.02 -0.08 0.00 -0.00 0.00 0.00 27.41 27.80 1a5y h HIS 94 CO 0.04 -0.01 0.02 0.35 -0.00 0.00 0.00 177.93 178.33 1a5y h PHE 95 N 0.13 0.01 0.00 2.45 3.04 -1.19 0.12 116.94 121.50 1a5y h PHE 95 Ca 0.14 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.03 1a5y h PHE 95 Cb 0.16 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1a5y h PHE 95 CO -0.19 -0.08 -0.45 -1.49 -2.02 0.00 0.00 178.31 174.08 1a5y h TRP 96 N 0.14 0.00 -0.29 0.41 4.06 -1.10 -0.65 115.95 118.52 1a5y h TRP 96 Ca 0.24 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.12 1a5y h TRP 96 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1a5y h TRP 96 CO -0.28 0.45 -0.08 1.49 -3.56 0.00 0.00 178.44 176.45 1a5y h GLU 97 N 0.00 0.57 -0.25 0.49 4.81 -0.23 -0.68 114.58 119.28 1a5y h GLU 97 Ca -0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1a5y h GLU 97 Cb 1.11 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1a5y h GLU 97 CO 0.06 0.77 0.14 1.98 -0.73 0.00 0.00 179.01 181.23 1a5y h MET 98 N 0.33 0.35 -0.68 1.92 4.05 -0.61 0.14 114.93 120.42 1a5y h MET 98 Ca 0.07 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.54 1a5y h MET 98 Cb 0.57 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.23 1a5y h MET 98 CO 0.03 0.30 0.34 0.28 0.23 0.00 0.00 176.91 178.09 1a5y h VAL 99 N 0.30 0.88 0.80 -5.77 2.07 -0.96 -0.44 116.25 113.13 1a5y h VAL 99 Ca 0.09 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1a5y h VAL 99 Cb 0.05 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1a5y h VAL 99 CO -0.02 0.11 -0.38 -0.25 0.02 0.00 0.00 177.57 177.05 1a5y h TRP 100 N 0.61 -0.99 -0.62 1.57 2.91 -0.63 -1.35 115.95 117.44 1a5y h TRP 100 Ca 0.33 -0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.37 1a5y h TRP 100 Cb 0.31 0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.25 1a5y h TRP 100 CO -0.10 -0.62 0.41 0.93 -1.03 0.00 0.00 178.44 178.03 1a5y h GLU 101 N -1.26 0.63 -0.00 2.65 5.08 -0.62 -0.86 114.58 120.20 1a5y h GLU 101 Ca -0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1a5y h GLU 101 Cb 0.82 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1a5y h GLU 101 CO 0.18 0.42 -0.10 1.04 -1.00 0.00 0.00 179.01 179.55 1a5y n GLN 102 N -4.47 0.21 -2.81 2.33 1.13 -0.19 -4.94 117.38 108.64 1a5y n GLN 102 Ca 0.08 -0.04 -0.16 0.00 -1.94 0.00 0.00 57.00 54.94 1a5y n GLN 102 Cb 0.20 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.07 1a5y n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1a5y n LYS 103 N -1.36 -3.61 -2.31 -1.09 5.02 -0.33 -4.16 118.16 110.32 1a5y n LYS 103 Ca 0.10 0.68 -0.35 0.00 -2.02 0.00 0.00 58.31 56.71 1a5y n LYS 103 Cb 0.31 -5.04 -0.01 0.00 -0.02 0.00 0.00 35.03 30.27 1a5y n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1a5y s SER 104 N -2.78 5.89 -0.08 4.39 0.01 -0.56 -1.28 113.70 119.29 1a5y s SER 104 Ca 0.22 2.15 0.09 0.00 1.31 0.00 0.00 55.95 59.72 1a5y s SER 104 Cb -0.10 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 63.43 1a5y s SER 104 CO 0.27 -1.10 0.07 -1.14 0.41 0.00 0.00 173.24 171.75 1a5y n ARG 105 N -1.13 2.09 -4.27 12.44 0.00 -1.26 -4.88 116.66 119.64 1a5y n ARG 105 Ca 0.11 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.85 57.77 1a5y n ARG 105 Cb 0.51 -1.24 -0.10 0.00 0.00 0.00 0.00 32.46 31.62 1a5y n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1a5y s GLY 106 N -3.98 1.16 -0.07 5.14 0.00 -1.26 -1.22 107.32 107.08 1a5y s GLY 106 Ca -0.04 -1.47 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 1a5y s GLY 106 CO 0.39 -1.56 0.01 0.14 0.00 0.00 0.00 173.10 172.08 1a5y s VAL 107 N -2.88 0.29 -0.28 1.40 1.01 -0.33 -2.39 120.40 117.21 1a5y s VAL 107 Ca 0.16 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 1a5y s VAL 107 Cb -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1a5y s VAL 107 CO 0.03 0.24 0.11 -0.69 0.00 0.00 0.00 175.10 174.80 1a5y s VAL 108 N 1.99 4.45 -0.20 2.92 1.01 0.16 -0.02 120.40 130.72 1a5y s VAL 108 Ca 0.05 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1a5y s VAL 108 Cb -0.12 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1a5y s VAL 108 CO -0.05 0.18 -0.02 -0.32 0.00 0.00 0.00 175.10 174.89 1a5y s MET 109 N 1.61 3.54 -0.24 2.72 0.00 0.10 -0.87 119.30 126.15 1a5y s MET 109 Ca 0.05 -0.56 0.11 0.00 0.00 0.00 0.00 55.69 55.29 1a5y s MET 109 Cb -0.16 -3.02 0.47 0.00 0.00 0.00 0.00 34.83 32.11 1a5y s MET 109 CO 0.05 -0.02 1.37 1.28 0.00 0.00 0.00 175.02 177.70 1a5y n LEU 110 N 4.32 3.58 -4.12 4.11 4.77 -0.56 -0.33 117.00 128.76 1a5y n LEU 110 Ca -0.17 -3.65 -0.15 0.00 -0.03 0.00 0.00 56.01 52.01 1a5y n LEU 110 Cb 0.52 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1a5y n LEU 110 CO 0.31 1.17 0.09 0.54 -1.33 0.00 0.00 177.39 178.17 1a5y s ASN 111 N -2.67 1.03 0.17 -1.43 2.20 -1.24 -4.73 114.94 108.28 1a5y s ASN 111 Ca 0.41 -1.53 0.10 0.00 -0.94 0.00 0.00 52.86 50.90 1a5y s ASN 111 Cb 0.38 0.64 -0.04 0.00 -2.00 0.00 0.00 41.25 40.22 1a5y s ASN 111 CO -0.00 -1.25 -0.17 -0.13 -2.94 0.00 0.00 177.10 172.61 1a5y s ARG 112 N -3.14 1.79 0.37 3.55 0.52 -1.26 -4.79 118.95 115.99 1a5y s ARG 112 Ca 0.32 -1.36 0.08 0.00 -0.52 0.00 0.00 55.73 54.26 1a5y s ARG 112 Cb 0.00 -2.03 0.81 0.00 0.52 0.00 0.00 34.95 34.26 1a5y s ARG 112 CO 0.21 0.43 1.91 0.28 0.02 0.00 0.00 175.30 178.15 1a5y h VAL 113 N 3.07 0.91 -3.36 3.52 2.07 -1.92 -3.40 116.25 117.15 1a5y h VAL 113 Ca -0.47 -0.24 -0.62 0.00 0.82 0.00 0.00 66.70 66.19 1a5y h VAL 113 Cb 1.20 0.16 -0.33 0.00 -1.52 0.00 0.00 31.29 30.80 1a5y h VAL 113 CO 0.50 0.13 -0.86 -0.32 0.02 0.00 0.00 177.57 177.04 1a5y s MET 114 N -5.64 2.58 -0.05 1.57 -2.45 -1.26 -0.90 119.30 113.14 1a5y s MET 114 Ca -0.10 -0.71 -0.03 0.00 -1.25 0.00 0.00 55.69 53.60 1a5y s MET 114 Cb 0.21 -2.00 0.03 0.00 1.25 0.00 0.00 34.83 34.32 1a5y s MET 114 CO 0.78 0.11 0.11 -1.21 1.05 0.00 0.00 175.02 175.87 1a5y s GLU 115 N 0.49 0.09 -1.51 4.11 2.02 0.56 -4.87 118.70 119.59 1a5y s GLU 115 Ca -0.17 0.26 -0.13 0.00 0.02 0.00 0.00 54.97 54.95 1a5y s GLU 115 Cb -0.17 -0.09 0.08 0.00 0.10 0.00 0.00 34.13 34.05 1a5y s GLU 115 CO 0.07 -0.10 1.00 1.63 0.02 0.00 0.00 175.26 177.87 1a5y n LYS 116 N 3.71 -5.80 -0.85 1.61 5.02 -1.26 -0.85 118.16 119.74 1a5y n LYS 116 Ca -0.21 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1a5y n LYS 116 Cb 0.55 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 1a5y n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5y n GLY 117 N -1.72 0.85 3.49 0.72 0.00 -1.26 -5.01 105.19 102.26 1a5y n GLY 117 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1a5y n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5y s SER 118 N -2.81 3.69 -0.59 1.61 0.01 -0.03 -5.09 113.70 110.48 1a5y s SER 118 Ca 0.00 -1.00 -0.23 0.00 1.31 0.00 0.00 55.95 56.03 1a5y s SER 118 Cb 0.00 -0.35 0.05 0.00 0.21 0.00 0.00 66.02 65.93 1a5y s SER 118 CO 0.00 0.02 0.92 -0.76 0.41 0.00 0.00 173.24 173.83 1a5y s LEU 119 N -3.53 4.29 0.00 2.44 1.43 -1.26 -0.32 118.68 121.73 1a5y s LEU 119 Ca 0.30 -0.66 0.27 0.00 -1.03 0.00 0.00 54.13 53.02 1a5y s LEU 119 Cb -0.05 -2.63 0.88 0.00 0.03 0.00 0.00 46.19 44.43 1a5y s LEU 119 CO 0.16 -1.28 1.65 0.29 0.23 0.00 0.00 176.35 177.40 1a5y n LYS 120 N 7.44 1.76 -3.60 1.70 4.76 -0.08 -4.93 118.16 125.20 1a5y n LYS 120 Ca -0.01 -1.12 -0.07 0.00 -2.87 0.00 0.00 58.31 54.23 1a5y n LYS 120 Cb 0.46 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 32.13 1a5y n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a5y s ALA 122 N -1.05 2.85 -1.15 0.00 0.00 -0.73 -4.72 121.76 116.95 1a5y s ALA 122 Ca 0.03 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1a5y s ALA 122 Cb -0.01 -3.04 0.15 0.00 0.00 0.00 0.00 23.12 20.23 1a5y s ALA 122 CO -0.02 -1.15 1.39 -1.14 0.00 0.00 0.00 175.76 174.83 1a5y s GLN 123 N -5.32 3.96 0.00 0.00 2.00 -1.26 -4.81 119.66 114.23 1a5y s GLN 123 Ca 0.58 -2.33 0.25 0.00 -2.00 0.00 0.00 55.36 51.87 1a5y s GLN 123 Cb -0.11 -5.07 1.33 0.00 0.80 0.00 0.00 33.01 29.95 1a5y s GLN 123 CO 0.52 -1.81 1.88 2.48 -0.50 0.00 0.00 175.29 177.85 1a5y n TYR 124 N 6.12 0.03 -4.18 1.67 4.11 -1.26 -4.83 117.16 118.81 1a5y n TYR 124 Ca 0.35 -0.02 -0.18 0.00 -0.00 0.00 0.00 57.90 58.05 1a5y n TYR 124 Cb 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.67 1a5y n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1a5y s TRP 125 N -1.97 1.23 0.10 -3.48 -2.14 -1.26 -5.06 118.94 106.36 1a5y s TRP 125 Ca 0.37 -0.49 -0.30 0.00 2.66 0.00 0.00 56.10 58.34 1a5y s TRP 125 Cb 0.18 -0.69 -0.06 0.00 -3.10 0.00 0.00 33.47 29.81 1a5y s TRP 125 CO 0.30 0.07 1.06 -1.25 -2.66 0.00 0.00 176.95 174.47 1a5y s PRO 126 N -1.96 4.57 0.06 3.25 0.04 -1.26 -4.97 135.00 134.73 1a5y s PRO 126 Ca 0.00 1.60 0.26 0.00 0.04 0.00 0.00 61.00 62.90 1a5y s PRO 126 Cb -0.09 -3.35 0.61 0.00 0.04 0.00 0.00 34.50 31.71 1a5y s PRO 126 CO 0.02 0.01 1.51 1.04 0.04 0.00 0.00 177.00 179.61 1a5y n GLN 127 N 3.14 0.12 -3.88 4.56 6.02 -1.26 -4.65 117.38 121.43 1a5y n GLN 127 Ca 0.05 0.05 -0.18 0.00 -0.01 0.00 0.00 57.00 56.90 1a5y n GLN 127 Cb 0.48 -1.59 -0.17 0.00 1.02 0.00 0.00 30.24 29.99 1a5y n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1a5y s LYS 128 N -3.06 0.29 0.52 -1.09 1.02 -1.26 -5.05 119.74 111.10 1a5y s LYS 128 Ca 0.10 0.12 0.30 0.00 0.02 0.00 0.00 55.97 56.50 1a5y s LYS 128 Cb 0.16 -0.54 1.42 0.00 -0.52 0.00 0.00 37.83 38.35 1a5y s LYS 128 CO 0.67 -0.18 1.87 1.05 -0.92 0.00 0.00 175.35 177.84 1a5y h GLU 129 N 7.53 0.07 0.00 1.68 9.09 -1.88 -0.88 114.58 130.19 1a5y h GLU 129 Ca -0.36 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.05 1a5y h GLU 129 Cb 1.13 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1a5y h GLU 129 CO 0.41 0.05 0.00 0.93 0.05 0.00 0.00 179.01 180.44 1a5y h GLU 130 N 0.07 0.00 -2.97 1.06 3.07 -1.97 -3.37 114.58 110.48 1a5y h GLU 130 Ca 0.46 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.63 1a5y h GLU 130 Cb 1.70 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 29.24 1a5y h GLU 130 CO -0.04 0.00 -0.14 1.63 -1.40 0.00 0.00 179.01 179.05 1a5y n LYS 131 N -2.79 2.78 -1.41 2.33 5.02 -0.34 -5.09 118.16 118.67 1a5y n LYS 131 Ca 0.03 -4.54 -0.31 0.00 -2.02 0.00 0.00 58.31 51.47 1a5y n LYS 131 Cb 0.37 -2.38 0.08 0.00 -0.02 0.00 0.00 35.03 33.08 1a5y n LYS 131 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1a5y s GLU 132 N -1.86 2.47 -0.01 1.97 8.01 -1.26 -4.68 118.70 123.35 1a5y s GLU 132 Ca 0.31 1.02 0.02 0.00 0.01 0.00 0.00 54.97 56.33 1a5y s GLU 132 Cb 0.00 -1.93 -0.03 0.00 -4.31 0.00 0.00 34.13 27.86 1a5y s GLU 132 CO -0.07 -1.45 -0.03 -1.64 0.01 0.00 0.00 175.26 172.07 1a5y s MET 133 N -4.98 2.70 -0.07 1.61 -1.94 -0.39 -4.97 119.30 111.26 1a5y s MET 133 Ca 0.60 -0.64 0.01 0.00 -1.71 0.00 0.00 55.69 53.95 1a5y s MET 133 Cb -0.16 -2.60 0.02 0.00 2.01 0.00 0.00 34.83 34.10 1a5y s MET 133 CO 0.56 0.62 -0.08 0.42 -0.01 0.00 0.00 175.02 176.53 1a5y s ILE 134 N -1.01 0.87 -0.65 2.53 1.01 -1.26 0.07 121.20 122.76 1a5y s ILE 134 Ca 0.18 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 1a5y s ILE 134 Cb -0.11 -0.87 0.15 0.00 0.01 0.00 0.00 42.46 41.64 1a5y s ILE 134 CO 0.08 0.32 0.65 -0.36 0.00 0.00 0.00 174.94 175.63 1a5y s PHE 135 N 1.16 3.31 0.12 3.97 0.08 0.61 -4.94 117.98 122.29 1a5y s PHE 135 Ca -0.06 -1.39 -0.25 0.00 0.12 0.00 0.00 56.93 55.35 1a5y s PHE 135 Cb -0.14 -3.89 -0.06 0.00 -0.57 0.00 0.00 43.02 38.36 1a5y s PHE 135 CO -0.02 -1.11 1.65 0.93 -0.10 0.00 0.00 175.22 176.58 1a5y h GLU 136 N 8.68 -0.32 -0.36 0.44 5.08 -1.97 0.92 114.58 127.05 1a5y h GLU 136 Ca -0.17 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1a5y h GLU 136 Cb 1.08 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 1a5y h GLU 136 CO 0.99 -0.21 -0.07 0.38 -1.00 0.00 0.00 179.01 179.09 1a5y h ASP 137 N -0.33 -0.30 0.16 1.42 2.03 -1.98 -2.13 116.42 115.29 1a5y h ASP 137 Ca 0.05 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 1a5y h ASP 137 Cb 0.40 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 1a5y h ASP 137 CO -0.18 -0.11 -0.19 0.35 -1.03 0.00 0.00 179.24 178.09 1a5y n THR 138 N -5.27 0.00 -3.48 1.15 -2.24 -1.11 -4.98 114.28 98.36 1a5y n THR 138 Ca 0.01 -0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.42 1a5y n THR 138 Cb 0.20 0.46 0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1a5y n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1a5y n ASN 139 N -0.39 -4.39 -3.98 3.42 5.15 0.32 -4.96 115.26 110.42 1a5y n ASN 139 Ca 0.14 -0.80 -0.14 0.00 -0.60 0.00 0.00 54.58 53.18 1a5y n ASN 139 Cb 0.36 -4.49 -0.13 0.00 -0.53 0.00 0.00 39.78 34.98 1a5y n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1a5y s LEU 140 N -6.09 2.10 -0.05 1.20 1.43 -1.02 -2.37 118.68 113.89 1a5y s LEU 140 Ca 0.29 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1a5y s LEU 140 Cb -0.06 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 1a5y s LEU 140 CO 0.78 -0.05 -0.16 -0.75 0.23 0.00 0.00 176.35 176.41 1a5y s LYS 141 N -0.65 2.51 -0.09 1.70 2.20 0.09 -0.28 119.74 125.21 1a5y s LYS 141 Ca -0.03 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1a5y s LYS 141 Cb -0.05 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.93 1a5y s LYS 141 CO -0.00 0.59 -0.18 -1.17 -0.36 0.00 0.00 175.35 174.23 1a5y s LEU 142 N -0.66 1.88 -0.03 5.43 2.96 0.11 -0.46 118.68 127.91 1a5y s LEU 142 Ca 0.10 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1a5y s LEU 142 Cb -0.11 -1.17 0.01 0.00 0.50 0.00 0.00 46.19 45.42 1a5y s LEU 142 CO 0.01 0.09 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.15 1a5y s THR 143 N 0.60 0.73 -0.18 3.68 2.01 -0.35 -1.26 115.64 120.87 1a5y s THR 143 Ca -0.14 -0.31 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 1a5y s THR 143 Cb -0.17 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1a5y s THR 143 CO 0.05 0.24 1.02 -0.22 -0.69 0.00 0.00 174.62 175.02 1a5y s LEU 144 N 0.37 4.16 -0.17 4.42 2.96 -1.26 -0.09 118.68 129.07 1a5y s LEU 144 Ca -0.06 1.44 0.11 0.00 -0.22 0.00 0.00 54.13 55.39 1a5y s LEU 144 Cb -0.10 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.82 1a5y s LEU 144 CO 0.01 -0.58 0.17 -0.38 -1.32 0.00 0.00 176.35 174.24 1a5y n ILE 145 N 5.01 1.50 0.00 6.68 2.08 0.23 -4.35 119.36 130.52 1a5y n ILE 145 Ca 0.11 -0.76 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1a5y n ILE 145 Cb 0.47 -0.94 0.00 0.00 -0.75 0.00 0.00 39.64 38.42 1a5y n ILE 145 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1a5y n SER 146 N -3.01 0.00 -3.80 4.38 3.41 -1.12 -5.00 113.62 108.48 1a5y n SER 146 Ca -0.32 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.16 1a5y n SER 146 Cb 1.09 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.95 1a5y n SER 146 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1a5y s GLU 147 N -2.00 0.59 -0.32 4.33 -1.05 -1.26 -0.33 118.70 118.66 1a5y s GLU 147 Ca 0.00 -0.25 0.02 0.00 -0.15 0.00 0.00 54.97 54.59 1a5y s GLU 147 Cb 0.00 0.26 0.10 0.00 -0.44 0.00 0.00 34.13 34.04 1a5y s GLU 147 CO 0.00 -0.15 0.06 0.34 0.95 0.00 0.00 175.26 176.45 1a5y s ASP 148 N -1.30 4.37 0.17 0.83 2.15 0.31 -4.99 116.67 118.21 1a5y s ASP 148 Ca -0.14 -1.83 -0.27 0.00 0.43 0.00 0.00 52.55 50.74 1a5y s ASP 148 Cb -0.06 -1.27 -0.08 0.00 -0.30 0.00 0.00 42.92 41.21 1a5y s ASP 148 CO 0.03 -0.38 0.84 -0.63 -0.17 0.00 0.00 175.17 174.87 1a5y s ILE 149 N 1.24 4.33 0.22 4.11 1.01 -1.26 -1.58 121.20 129.28 1a5y s ILE 149 Ca 0.08 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.61 1a5y s ILE 149 Cb -0.18 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1a5y s ILE 149 CO -0.15 0.48 0.10 0.29 0.00 0.00 0.00 174.94 175.66 1a5y n LYS 150 N 1.83 0.61 0.12 2.79 4.76 0.34 -4.98 118.16 123.62 1a5y n LYS 150 Ca -0.03 -1.96 -0.16 0.00 -2.87 0.00 0.00 58.31 53.29 1a5y n LYS 150 Cb 0.48 1.19 -0.09 0.00 -1.84 0.00 0.00 35.03 34.78 1a5y n LYS 150 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1a5y h SER 151 N 0.99 -1.50 -0.13 4.39 0.02 -2.03 -3.31 113.55 111.98 1a5y h SER 151 Ca -0.17 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1a5y h SER 151 Cb 0.69 0.55 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1a5y h SER 151 CO 0.27 -0.55 0.00 0.00 -1.14 0.00 0.00 176.83 175.41 1a5y n TYR 152 N -5.49 0.18 -3.61 3.45 4.11 -1.26 -4.93 117.16 109.61 1a5y n TYR 152 Ca -0.08 -0.43 -0.09 0.00 -0.00 0.00 0.00 57.90 57.29 1a5y n TYR 152 Cb 0.41 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.34 39.70 1a5y n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1a5y s TYR 153 N -0.92 -0.36 -0.01 -3.48 1.13 -1.25 -1.51 117.35 110.95 1a5y s TYR 153 Ca 0.10 0.07 0.00 0.00 -1.41 0.00 0.00 57.07 55.83 1a5y s TYR 153 Cb 0.05 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.54 1a5y s TYR 153 CO 0.07 -0.95 0.00 0.99 -2.51 0.00 0.00 175.55 173.15 1a5y s THR 154 N -3.70 0.07 -0.11 -3.49 2.01 -0.27 -0.51 115.64 109.64 1a5y s THR 154 Ca 0.06 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 1a5y s THR 154 Cb -0.03 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1a5y s THR 154 CO -0.04 0.06 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.24 1a5y s VAL 155 N 0.42 4.12 0.09 3.82 1.01 -0.61 -0.66 120.40 128.59 1a5y s VAL 155 Ca -0.04 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1a5y s VAL 155 Cb -0.06 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 1a5y s VAL 155 CO -0.01 0.56 -0.20 -0.13 0.00 0.00 0.00 175.10 175.32 1a5y s ARG 156 N -0.42 1.15 -0.25 2.72 0.52 0.12 -0.53 118.95 122.25 1a5y s ARG 156 Ca 0.07 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.17 1a5y s ARG 156 Cb -0.12 -1.36 0.02 0.00 0.52 0.00 0.00 34.95 34.01 1a5y s ARG 156 CO 0.02 0.32 -0.02 -1.14 0.02 0.00 0.00 175.30 174.50 1a5y s GLN 157 N -1.71 3.00 0.17 3.54 0.74 0.55 -0.17 119.66 125.78 1a5y s GLN 157 Ca 0.06 -0.88 0.10 0.00 0.05 0.00 0.00 55.36 54.69 1a5y s GLN 157 Cb -0.10 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 30.89 1a5y s GLN 157 CO 0.03 -0.37 -0.20 -0.51 -0.55 0.00 0.00 175.29 173.69 1a5y s LEU 158 N 1.40 2.59 -0.19 3.68 1.43 0.01 -0.60 118.68 126.99 1a5y s LEU 158 Ca 0.02 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1a5y s LEU 158 Cb -0.16 -1.35 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 1a5y s LEU 158 CO -0.03 0.13 -0.11 -0.70 0.23 0.00 0.00 176.35 175.88 1a5y s GLU 159 N -2.53 3.25 -0.16 1.70 2.12 0.88 -0.41 118.70 123.54 1a5y s GLU 159 Ca 0.20 -0.70 -0.05 0.00 0.36 0.00 0.00 54.97 54.78 1a5y s GLU 159 Cb -0.09 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 1a5y s GLU 159 CO 0.11 -0.13 0.01 -1.17 -0.54 0.00 0.00 175.26 173.53 1a5y s LEU 160 N 1.22 3.51 -0.07 2.70 2.96 0.63 -1.21 118.68 128.42 1a5y s LEU 160 Ca 0.02 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1a5y s LEU 160 Cb -0.14 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1a5y s LEU 160 CO -0.05 0.18 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.27 1a5y s GLU 161 N 0.31 2.34 -0.57 1.98 2.12 0.39 -0.13 118.70 125.14 1a5y s GLU 161 Ca -0.00 -0.71 -0.25 0.00 0.36 0.00 0.00 54.97 54.37 1a5y s GLU 161 Cb -0.13 -1.89 0.04 0.00 0.26 0.00 0.00 34.13 32.41 1a5y s GLU 161 CO 0.02 0.20 0.99 1.21 -0.54 0.00 0.00 175.26 177.13 1a5y s ASN 162 N 0.24 6.34 0.38 -1.70 3.04 0.21 -0.74 114.94 122.72 1a5y s ASN 162 Ca -0.11 -0.32 0.26 0.00 0.04 0.00 0.00 52.86 52.72 1a5y s ASN 162 Cb -0.15 -2.46 1.39 0.00 -1.54 0.00 0.00 41.25 38.49 1a5y s ASN 162 CO 0.05 -1.29 1.79 -0.07 -3.04 0.00 0.00 177.10 174.54 1a5y h LEU 163 N 11.18 0.00 0.00 3.21 3.38 -1.76 0.73 115.31 132.05 1a5y h LEU 163 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1a5y h LEU 163 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1a5y h LEU 163 CO 1.11 0.00 -0.02 0.74 0.09 0.00 0.00 178.44 180.37 1a5y h THR 164 N 0.00 0.00 0.00 0.22 2.02 -1.91 -3.35 112.91 109.90 1a5y h THR 164 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1a5y h THR 164 Cb 0.02 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1a5y h THR 164 CO 0.00 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.24 1a5y n THR 165 N -2.73 0.75 -1.10 3.16 -2.24 -1.19 -4.84 114.28 106.09 1a5y n THR 165 Ca -0.00 0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.92 1a5y n THR 165 Cb 0.01 -0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 67.34 1a5y n THR 165 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1a5y n GLN 166 N -1.57 -1.16 -1.87 -0.78 7.27 0.25 -4.97 117.38 114.55 1a5y n GLN 166 Ca 0.04 0.49 -0.31 0.00 0.07 0.00 0.00 57.00 57.29 1a5y n GLN 166 Cb 0.22 -4.46 0.02 0.00 2.41 0.00 0.00 30.24 28.43 1a5y n GLN 166 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1a5y s GLU 167 N -1.75 3.41 0.02 3.69 2.12 -1.11 -4.80 118.70 120.27 1a5y s GLU 167 Ca 0.00 0.90 0.04 0.00 0.36 0.00 0.00 54.97 56.27 1a5y s GLU 167 Cb 0.00 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.32 1a5y s GLU 167 CO 0.00 -0.72 -0.13 0.99 -0.54 0.00 0.00 175.26 174.86 1a5y s THR 168 N -2.97 1.02 -0.02 -1.70 2.01 -1.26 -0.61 115.64 112.10 1a5y s THR 168 Ca 0.58 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1a5y s THR 168 Cb -0.12 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1a5y s THR 168 CO 0.49 0.12 0.07 -0.13 -0.69 0.00 0.00 174.62 174.48 1a5y s ARG 169 N -0.75 0.14 -0.14 4.92 0.52 0.81 -4.98 118.95 119.47 1a5y s ARG 169 Ca 0.03 0.02 -0.22 0.00 -0.52 0.00 0.00 55.73 55.03 1a5y s ARG 169 Cb -0.06 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 1a5y s ARG 169 CO 0.00 -0.02 0.69 -2.00 0.02 0.00 0.00 175.30 173.99 1a5y s GLU 170 N -0.18 4.32 -0.15 3.54 2.12 -1.26 -0.27 118.70 126.81 1a5y s GLU 170 Ca -0.02 0.78 0.02 0.00 0.36 0.00 0.00 54.97 56.11 1a5y s GLU 170 Cb -0.02 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1a5y s GLU 170 CO 0.00 -0.12 -0.21 0.42 -0.54 0.00 0.00 175.26 174.81 1a5y s ILE 171 N 1.47 2.09 -0.10 -3.70 -1.09 0.45 -4.87 121.20 115.44 1a5y s ILE 171 Ca 0.34 -0.96 -0.19 0.00 -2.23 0.00 0.00 60.65 57.61 1a5y s ILE 171 Cb -0.17 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 1a5y s ILE 171 CO 0.14 0.55 0.53 -0.76 -1.23 0.00 0.00 174.94 174.16 1a5y s LEU 172 N 0.94 4.29 -0.32 2.97 1.43 -0.36 -0.81 118.68 126.83 1a5y s LEU 172 Ca -0.04 0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1a5y s LEU 172 Cb -0.15 -2.78 0.04 0.00 0.03 0.00 0.00 46.19 43.33 1a5y s LEU 172 CO -0.05 -0.01 0.07 -2.28 0.23 0.00 0.00 176.35 174.31 1a5y s HIS 173 N 0.60 3.25 -0.37 0.29 2.46 0.76 -1.19 115.29 121.09 1a5y s HIS 173 Ca 0.28 -1.55 -0.13 0.00 0.47 0.00 0.00 55.06 54.14 1a5y s HIS 173 Cb -0.16 -2.22 0.01 0.00 -0.13 0.00 0.00 32.58 30.08 1a5y s HIS 173 CO 0.12 -0.75 0.25 -0.06 -2.47 0.00 0.00 174.74 171.83 1a5y s PHE 174 N 1.36 3.23 -0.34 3.88 0.08 0.97 0.14 117.98 127.30 1a5y s PHE 174 Ca -0.03 -0.52 -0.02 0.00 0.12 0.00 0.00 56.93 56.48 1a5y s PHE 174 Cb -0.19 -2.50 0.07 0.00 -0.57 0.00 0.00 43.02 39.82 1a5y s PHE 174 CO 0.01 -0.51 0.07 -1.58 -0.10 0.00 0.00 175.22 173.12 1a5y s HIS 175 N 1.66 3.38 -0.38 0.36 2.46 0.17 0.01 115.29 122.96 1a5y s HIS 175 Ca 0.05 -2.02 -0.28 0.00 0.47 0.00 0.00 55.06 53.28 1a5y s HIS 175 Cb -0.18 -2.49 0.02 0.00 -0.13 0.00 0.00 32.58 29.80 1a5y s HIS 175 CO 0.09 -0.85 1.03 -0.47 -2.47 0.00 0.00 174.74 172.08 1a5y s TYR 176 N 1.22 3.04 -0.78 3.88 6.14 0.55 -1.11 117.35 130.29 1a5y s TYR 176 Ca -0.00 0.92 0.22 0.00 0.64 0.00 0.00 57.07 58.85 1a5y s TYR 176 Cb -0.21 -3.86 -0.05 0.00 0.42 0.00 0.00 41.96 38.27 1a5y s TYR 176 CO -0.02 -0.91 0.97 0.25 0.64 0.00 0.00 175.55 176.48 1a5y n THR 177 N 6.15 0.05 -1.63 4.34 -2.24 -0.57 -3.64 114.28 116.74 1a5y n THR 177 Ca 0.10 -0.13 -0.24 0.00 -2.27 0.00 0.00 64.05 61.51 1a5y n THR 177 Cb 0.48 0.54 0.08 0.00 -2.10 0.00 0.00 70.33 69.34 1a5y n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1a5y n THR 178 N -1.72 2.98 -4.00 4.28 -2.24 -1.14 -4.88 114.28 107.56 1a5y n THR 178 Ca 0.03 -3.37 -0.33 0.00 -2.27 0.00 0.00 64.05 58.12 1a5y n THR 178 Cb 0.39 -0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 67.51 1a5y n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1a5y s TRP 179 N -3.61 3.47 0.08 4.78 -0.11 -1.26 -4.86 118.94 117.44 1a5y s TRP 179 Ca 0.55 -2.50 -0.37 0.00 1.22 0.00 0.00 56.10 55.00 1a5y s TRP 179 Cb 0.45 -2.43 -0.17 0.00 -1.50 0.00 0.00 33.47 29.81 1a5y s TRP 179 CO 0.02 -0.90 1.30 -2.30 -4.62 0.00 0.00 176.95 170.45 1a5y n PRO 180 N 4.42 1.01 -1.69 5.86 -0.02 -1.26 -4.80 135.00 138.52 1a5y n PRO 180 Ca -0.06 0.37 -0.44 0.00 -2.02 0.00 0.00 63.50 61.34 1a5y n PRO 180 Cb 0.42 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1a5y n PRO 180 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1a5y n ASP 181 N 2.39 3.17 0.00 2.55 -0.08 -1.26 0.20 116.55 123.51 1a5y n ASP 181 Ca 0.18 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.58 1a5y n ASP 181 Cb 0.18 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.17 1a5y n ASP 181 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1a5y n PHE 182 N 2.53 0.00 -2.63 -0.67 3.72 -1.26 -4.92 117.46 114.23 1a5y n PHE 182 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1a5y n PHE 182 Cb 0.32 -1.37 0.00 0.00 -0.94 0.00 0.00 39.48 37.49 1a5y n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a5y n GLY 183 N -1.09 2.11 3.22 1.37 0.00 0.13 -4.79 105.19 106.14 1a5y n GLY 183 Ca 0.00 -2.09 -0.25 0.00 0.00 0.00 0.00 46.02 43.68 1a5y n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a5y s VAL 184 N 1.35 1.54 -0.09 1.61 -7.23 -1.26 -4.76 120.40 111.56 1a5y s VAL 184 Ca 0.00 -1.07 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1a5y s VAL 184 Cb 0.00 -1.33 0.07 0.00 0.56 0.00 0.00 36.38 35.68 1a5y s VAL 184 CO 0.00 0.23 1.84 -0.81 -0.31 0.00 0.00 175.10 176.05 1a5y n PRO 185 N 2.05 1.23 0.00 4.82 -0.04 -1.26 -4.66 135.00 137.14 1a5y n PRO 185 Ca -0.17 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 1a5y n PRO 185 Cb 0.54 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1a5y n PRO 185 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1a5y n GLU 186 N 0.98 0.00 0.00 0.54 4.07 -1.26 -4.74 120.64 120.24 1a5y n GLU 186 Ca 0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1a5y n GLU 186 Cb 0.55 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.93 1a5y n GLU 186 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1a5y n SER 187 N 0.00 0.00 0.30 4.31 2.88 -1.26 -4.93 113.62 114.93 1a5y n SER 187 Ca 0.00 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.73 1a5y n SER 187 Cb 0.00 0.00 0.95 0.00 -0.75 0.00 0.00 64.21 64.41 1a5y n SER 187 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1a5y h PRO 188 N 0.00 0.00 0.32 -1.46 0.11 -1.92 -3.13 132.00 125.92 1a5y h PRO 188 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1a5y h PRO 188 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1a5y h PRO 188 CO 0.00 0.03 -0.36 0.00 -0.21 0.00 0.00 178.00 177.46 1a5y h ALA 189 N 1.97 -0.74 -0.63 -0.75 0.00 -1.93 0.20 119.26 117.38 1a5y h ALA 189 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a5y h ALA 189 Cb 0.22 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1a5y h ALA 189 CO 0.00 -0.96 0.39 0.77 0.00 0.00 0.00 179.25 179.45 1a5y h SER 190 N -0.71 0.76 0.15 0.00 0.02 -1.87 -0.78 113.55 111.11 1a5y h SER 190 Ca -0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1a5y h SER 190 Cb 0.66 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1a5y h SER 190 CO -0.09 0.59 -0.07 0.15 -1.14 0.00 0.00 176.83 176.27 1a5y h PHE 191 N 0.86 -0.18 -0.76 3.45 3.57 -1.55 -1.73 116.94 120.59 1a5y h PHE 191 Ca 0.23 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1a5y h PHE 191 Cb -0.03 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1a5y h PHE 191 CO -0.02 -0.02 0.43 -0.07 -2.23 0.00 0.00 178.31 176.39 1a5y h LEU 192 N -0.31 0.94 -1.02 0.59 3.38 -0.46 0.18 115.31 118.61 1a5y h LEU 192 Ca -0.02 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1a5y h LEU 192 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1a5y h LEU 192 CO 0.03 0.75 -0.00 -1.13 0.09 0.00 0.00 178.44 178.18 1a5y h ASN 193 N 1.06 0.66 -0.06 -0.43 -0.00 -1.01 0.68 115.58 116.48 1a5y h ASN 193 Ca 0.27 -0.15 -0.05 0.00 -0.00 0.00 0.00 56.30 56.37 1a5y h ASN 193 Cb 0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.16 1a5y h ASN 193 CO -0.05 0.74 -0.17 0.15 -0.00 0.00 0.00 177.43 178.10 1a5y h PHE 194 N 0.66 0.30 -0.07 0.67 3.57 -0.68 -2.08 116.94 119.31 1a5y h PHE 194 Ca 0.13 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1a5y h PHE 194 Cb 0.41 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1a5y h PHE 194 CO 0.02 0.79 -0.27 1.25 -2.23 0.00 0.00 178.31 177.87 1a5y h LEU 195 N -0.27 -0.82 -1.73 0.59 6.46 -0.33 -0.42 115.31 118.79 1a5y h LEU 195 Ca -0.00 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1a5y h LEU 195 Cb 0.78 0.34 -0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1a5y h LEU 195 CO 0.04 -0.33 -0.15 -0.26 -0.62 0.00 0.00 178.44 177.12 1a5y h PHE 196 N -0.37 0.00 -0.56 1.25 -1.00 -0.94 0.42 116.94 115.74 1a5y h PHE 196 Ca 0.08 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.75 1a5y h PHE 196 Cb 0.49 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 1a5y h PHE 196 CO -0.33 0.15 -0.09 0.87 -1.61 0.00 0.00 178.31 177.29 1a5y h LYS 197 N 0.00 1.05 -0.45 1.51 6.56 -0.49 0.11 116.57 124.85 1a5y h LYS 197 Ca -0.00 -0.38 -0.01 0.00 -1.06 0.00 0.00 60.65 59.19 1a5y h LYS 197 Cb 0.27 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 1a5y h LYS 197 CO 0.02 1.08 0.22 0.28 -2.06 0.00 0.00 179.45 178.99 1a5y h VAL 198 N 0.93 1.18 0.25 0.50 2.07 0.49 -2.64 116.25 119.03 1a5y h VAL 198 Ca 0.15 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1a5y h VAL 198 Cb 0.66 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1a5y h VAL 198 CO 0.05 0.19 -0.12 0.03 0.02 0.00 0.00 177.57 177.74 1a5y h ARG 199 N 0.59 -0.32 -0.02 1.57 3.08 -0.74 -2.73 114.38 115.80 1a5y h ARG 199 Ca 0.16 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.24 1a5y h ARG 199 Cb 0.10 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1a5y h ARG 199 CO -0.02 -0.15 0.09 0.93 -1.07 0.00 0.00 179.97 179.75 1a5y h GLU 200 N -0.42 0.00 0.00 0.04 5.08 -0.89 0.81 114.58 119.21 1a5y h GLU 200 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1a5y h GLU 200 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1a5y h GLU 200 CO 0.06 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.73 1a5y h SER 201 N 0.00 0.00 0.00 1.42 4.64 -1.14 -3.46 113.55 115.01 1a5y h SER 201 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1a5y h SER 201 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1a5y h SER 201 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1a5y n GLY 202 N 0.43 0.96 0.29 -0.77 0.00 0.28 -4.90 105.19 101.48 1a5y n GLY 202 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1a5y n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5y h SER 203 N 0.00 0.00 -0.06 1.61 0.02 -1.76 -1.98 113.55 111.38 1a5y h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a5y h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1a5y h SER 203 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1a5y n LEU 204 N -4.48 1.52 -4.78 5.07 4.77 -1.26 -4.50 117.00 113.34 1a5y n LEU 204 Ca -0.00 -0.55 -0.35 0.00 -0.03 0.00 0.00 56.01 55.07 1a5y n LEU 204 Cb 0.20 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1a5y n LEU 204 CO 0.34 0.28 0.76 -0.44 -1.33 0.00 0.00 177.39 177.00 1a5y s SER 205 N -1.86 6.07 0.59 -1.43 0.01 -0.75 -4.94 113.70 111.39 1a5y s SER 205 Ca 0.36 2.11 0.29 0.00 1.31 0.00 0.00 55.95 60.02 1a5y s SER 205 Cb 0.20 -2.58 1.79 0.00 0.21 0.00 0.00 66.02 65.64 1a5y s SER 205 CO 0.31 -0.98 2.24 -0.65 0.41 0.00 0.00 173.24 174.58 1a5y h PRO 206 N 1.55 0.00 0.00 12.44 0.11 -1.93 -1.59 132.00 142.57 1a5y h PRO 206 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a5y h PRO 206 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a5y h PRO 206 CO 0.58 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 1a5y n GLU 207 N -3.89 0.71 -4.37 1.05 0.00 -1.26 -4.76 120.64 108.13 1a5y n GLU 207 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.94 1a5y n GLU 207 Cb 0.09 -1.48 -0.10 0.00 0.00 0.00 0.00 31.44 29.96 1a5y n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1a5y s HIS 208 N -2.00 1.83 1.26 -1.84 3.76 -0.60 -5.14 115.29 112.56 1a5y s HIS 208 Ca 0.33 -0.53 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 1a5y s HIS 208 Cb 0.15 -0.85 0.31 0.00 1.11 0.00 0.00 32.58 33.31 1a5y s HIS 208 CO 0.25 0.42 1.00 0.20 -0.85 0.00 0.00 174.74 175.76 1a5y s GLY 209 N -3.36 1.50 0.48 -2.22 0.00 -0.41 -4.90 107.32 98.41 1a5y s GLY 209 Ca 0.24 -0.46 -0.22 0.00 0.00 0.00 0.00 44.72 44.28 1a5y s GLY 209 CO 0.09 0.38 1.17 2.56 0.00 0.00 0.00 173.10 177.30 1a5y s PRO 210 N -4.76 3.66 0.19 2.90 0.04 -1.26 -4.49 135.00 131.27 1a5y s PRO 210 Ca 0.68 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 1a5y s PRO 210 Cb -0.20 -2.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 1a5y s PRO 210 CO 0.61 -0.64 1.28 0.54 0.04 0.00 0.00 177.00 178.83 1a5y s VAL 211 N -1.56 3.32 -0.37 -0.36 0.11 -1.25 -4.45 120.40 115.83 1a5y s VAL 211 Ca 0.65 1.09 -0.24 0.00 -2.93 0.00 0.00 61.98 60.55 1a5y s VAL 211 Cb -0.29 -3.69 0.01 0.00 -1.53 0.00 0.00 36.38 30.88 1a5y s VAL 211 CO 0.35 0.16 0.82 -0.69 -3.33 0.00 0.00 175.10 172.41 1a5y s VAL 212 N 0.09 4.69 -0.14 2.04 1.01 -1.01 -1.22 120.40 125.86 1a5y s VAL 212 Ca 0.56 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 1a5y s VAL 212 Cb -0.35 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 1a5y s VAL 212 CO 0.38 -0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.24 1a5y s VAL 213 N 3.20 3.52 0.28 2.92 1.01 0.49 -0.66 120.40 131.16 1a5y s VAL 213 Ca 0.33 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1a5y s VAL 213 Cb -0.13 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1a5y s VAL 213 CO 0.17 0.51 0.47 -1.38 0.00 0.00 0.00 175.10 174.88 1a5y s HIS 214 N 0.31 0.62 -0.05 5.22 -3.43 -0.05 -1.74 115.29 116.17 1a5y s HIS 214 Ca -0.07 -0.95 -0.22 0.00 -0.80 0.00 0.00 55.06 53.02 1a5y s HIS 214 Cb -0.15 0.09 -0.16 0.00 -1.43 0.00 0.00 32.58 30.93 1a5y s HIS 214 CO 0.04 -1.05 0.92 1.03 -2.00 0.00 0.00 174.74 173.68 1a5y h SER 216 N 2.22 -0.18 0.70 7.38 0.87 -1.88 -1.49 113.55 121.16 1a5y h SER 216 Ca -0.28 -0.36 -0.21 0.00 -1.23 0.00 0.00 61.79 59.71 1a5y h SER 216 Cb 1.25 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 63.22 1a5y h SER 216 CO 0.38 0.36 -1.43 0.00 -0.53 0.00 0.00 176.83 175.61 1a5y h ALA 217 N -0.24 0.68 -0.24 6.23 0.00 -1.88 -0.36 119.26 123.45 1a5y h ALA 217 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1a5y h ALA 217 Cb 0.53 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1a5y h ALA 217 CO 0.04 1.16 0.00 0.41 0.00 0.00 0.00 179.25 180.86 1a5y n GLY 218 N 1.44 0.57 0.00 0.00 0.00 -1.25 -3.87 105.19 102.08 1a5y n GLY 218 Ca -0.11 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1a5y n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a5y n ILE 219 N -3.51 0.00 0.00 -0.61 -5.35 -1.26 -4.43 119.36 104.20 1a5y n ILE 219 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1a5y n ILE 219 Cb 0.48 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 1a5y n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a5y n GLY 220 N 1.82 -0.08 0.21 3.28 0.00 -1.26 -0.79 105.19 108.37 1a5y n GLY 220 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1a5y n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a5y h ARG 221 N 0.00 0.11 -0.03 1.61 3.08 -1.94 -2.22 114.38 114.99 1a5y h ARG 221 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1a5y h ARG 221 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1a5y h ARG 221 CO 0.00 0.36 0.00 0.77 -1.07 0.00 0.00 179.97 180.04 1a5y h SER 222 N 0.11 0.05 -0.46 7.04 0.02 -1.88 -1.95 113.55 116.48 1a5y h SER 222 Ca 0.02 -0.26 0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1a5y h SER 222 Cb 0.50 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 1a5y h SER 222 CO 0.04 0.30 0.07 1.23 -1.14 0.00 0.00 176.83 177.32 1a5y h GLY 223 N -0.20 0.54 0.56 -3.77 0.00 -1.03 -1.44 103.07 97.73 1a5y h GLY 223 Ca 0.01 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.38 1a5y h GLY 223 CO 0.00 -0.08 -0.09 -0.84 0.00 0.00 0.00 176.54 175.54 1a5y h THR 224 N 0.20 0.72 0.09 4.70 2.02 -1.25 0.45 112.91 119.84 1a5y h THR 224 Ca 0.23 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.43 1a5y h THR 224 Cb 0.31 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1a5y h THR 224 CO -0.32 0.00 -0.26 0.15 0.37 0.00 0.00 175.52 175.45 1a5y h PHE 225 N -0.08 -0.71 -0.53 3.16 3.57 -0.92 -0.19 116.94 121.25 1a5y h PHE 225 Ca 0.09 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1a5y h PHE 225 Cb 0.22 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1a5y h PHE 225 CO -0.23 -0.36 0.18 0.00 -2.23 0.00 0.00 178.31 175.67 1a5y h LEU 227 N 0.72 -0.02 -1.24 0.00 5.85 0.27 -1.72 115.31 119.17 1a5y h LEU 227 Ca 0.17 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1a5y h LEU 227 Cb 0.25 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1a5y h LEU 227 CO -0.01 0.13 0.48 0.00 -0.34 0.00 0.00 178.44 178.71 1a5y h ALA 228 N 0.82 1.45 -0.13 1.25 0.00 -1.03 -1.75 119.26 119.87 1a5y h ALA 228 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1a5y h ALA 228 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1a5y h ALA 228 CO 0.00 0.51 -0.03 0.22 0.00 0.00 0.00 179.25 179.95 1a5y h ASP 229 N 1.02 0.25 -0.55 0.00 3.58 -1.05 -2.09 116.42 117.59 1a5y h ASP 229 Ca 0.27 -0.36 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1a5y h ASP 229 Cb -0.10 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 1a5y h ASP 229 CO -0.06 0.56 0.17 0.74 -2.88 0.00 0.00 179.24 177.76 1a5y h THR 230 N -0.06 1.24 -0.72 2.25 2.02 -1.23 0.98 112.91 117.39 1a5y h THR 230 Ca 0.03 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.42 1a5y h THR 230 Cb 0.44 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1a5y h THR 230 CO 0.01 0.30 0.48 0.00 0.37 0.00 0.00 175.52 176.68 1a5y h LEU 232 N 0.96 0.70 -0.43 0.00 3.38 -1.02 -1.73 115.31 117.16 1a5y h LEU 232 Ca 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1a5y h LEU 232 Cb -0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1a5y h LEU 232 CO -0.07 0.91 0.20 0.25 0.09 0.00 0.00 178.44 179.82 1a5y h LEU 233 N 0.60 0.58 -0.83 1.67 6.46 0.06 -0.97 115.31 122.88 1a5y h LEU 233 Ca 0.09 -0.14 -0.10 0.00 -0.12 0.00 0.00 57.88 57.61 1a5y h LEU 233 Cb 0.70 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1a5y h LEU 233 CO 0.05 0.56 -0.18 -0.07 -0.62 0.00 0.00 178.44 178.18 1a5y h LEU 234 N 0.56 0.68 -0.78 2.25 3.38 -0.75 -1.21 115.31 119.43 1a5y h LEU 234 Ca 0.15 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1a5y h LEU 234 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1a5y h LEU 234 CO -0.02 0.87 -0.14 0.24 0.09 0.00 0.00 178.44 179.48 1a5y h MET 235 N 0.61 0.78 0.87 1.13 2.86 -1.06 -2.95 114.93 117.17 1a5y h MET 235 Ca 0.10 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1a5y h MET 235 Cb 0.64 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1a5y h MET 235 CO 0.05 0.88 -0.42 0.22 1.06 0.00 0.00 176.91 178.69 1a5y h ASP 236 N 0.70 -0.99 -0.87 1.22 1.82 -0.69 1.40 116.42 119.01 1a5y h ASP 236 Ca 0.11 0.03 0.22 0.00 -0.39 0.00 0.00 57.03 57.01 1a5y h ASP 236 Cb 0.63 0.26 -0.15 0.00 0.68 0.00 0.00 39.33 40.74 1a5y h ASP 236 CO 0.04 -0.65 0.04 0.11 -1.61 0.00 0.00 179.24 177.17 1a5y h LYS 237 N -1.29 0.08 0.00 0.28 1.79 -1.28 0.26 116.57 116.41 1a5y h LYS 237 Ca -0.12 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1a5y h LYS 237 Cb 0.90 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1a5y h LYS 237 CO 0.20 0.05 -0.86 0.54 -1.08 0.00 0.00 179.45 178.30 1a5y n ARG 238 N -5.39 0.16 -4.00 3.15 1.74 -1.11 -4.95 116.66 106.25 1a5y n ARG 238 Ca 0.18 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.99 1a5y n ARG 238 Cb 0.61 -1.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 1a5y n ARG 238 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1a5y n LYS 239 N -1.76 -3.32 -3.29 5.56 4.76 0.48 -4.93 118.16 115.66 1a5y n LYS 239 Ca 0.03 0.40 -0.09 0.00 -2.87 0.00 0.00 58.31 55.79 1a5y n LYS 239 Cb 0.39 -4.63 -0.05 0.00 -1.84 0.00 0.00 35.03 28.90 1a5y n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1a5y s ASP 240 N -4.18 -0.06 0.56 4.39 2.15 -0.83 -5.03 116.67 113.67 1a5y s ASP 240 Ca 0.13 -1.25 0.27 0.00 0.43 0.00 0.00 52.55 52.13 1a5y s ASP 240 Cb -0.07 1.19 1.47 0.00 -0.30 0.00 0.00 42.92 45.21 1a5y s ASP 240 CO 0.89 -0.22 2.00 -0.65 -0.17 0.00 0.00 175.17 177.03 1a5y h PRO 241 N 6.99 0.00 0.00 4.34 0.11 -1.92 -2.59 132.00 138.94 1a5y h PRO 241 Ca 0.05 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 1a5y h PRO 241 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1a5y h PRO 241 CO 0.15 0.00 -0.54 0.77 -0.21 0.00 0.00 178.00 178.17 1a5y h SER 242 N 0.00 0.00 0.09 -2.05 0.02 -1.96 -3.08 113.55 106.56 1a5y h SER 242 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1a5y h SER 242 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1a5y h SER 242 CO -0.00 0.54 0.00 -1.54 -1.14 0.00 0.00 176.83 174.69 1a5y n SER 243 N -3.71 0.00 -4.53 3.07 3.41 -0.97 -4.71 113.62 106.17 1a5y n SER 243 Ca -0.01 -0.55 -0.39 0.00 -0.26 0.00 0.00 58.87 57.66 1a5y n SER 243 Cb 0.58 -0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 1a5y n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1a5y s VAL 244 N -2.13 5.14 -0.32 -3.33 1.01 -1.17 -5.05 120.40 114.56 1a5y s VAL 244 Ca 0.31 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1a5y s VAL 244 Cb 0.15 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1a5y s VAL 244 CO 0.27 0.11 0.11 -0.62 0.00 0.00 0.00 175.10 174.97 1a5y s ASP 245 N 1.71 5.28 0.25 3.32 -1.08 -1.26 -4.84 116.67 120.05 1a5y s ASP 245 Ca 0.06 -0.82 -0.03 0.00 -0.52 0.00 0.00 52.55 51.24 1a5y s ASP 245 Cb -0.17 -1.91 0.29 0.00 -1.46 0.00 0.00 42.92 39.67 1a5y s ASP 245 CO 0.10 -0.25 1.75 -0.29 0.52 0.00 0.00 175.17 177.00 1a5y h ILE 246 N 5.92 1.25 -0.43 4.11 2.10 -1.99 -1.48 117.51 126.99 1a5y h ILE 246 Ca -0.29 -1.01 -0.10 0.00 1.08 0.00 0.00 64.86 64.54 1a5y h ILE 246 Cb 1.12 0.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.66 1a5y h ILE 246 CO 0.61 0.36 -0.12 0.11 -1.08 0.00 0.00 178.15 178.03 1a5y h LYS 247 N 0.80 0.78 -0.23 2.19 1.57 -1.99 0.75 116.57 120.45 1a5y h LYS 247 Ca 0.16 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1a5y h LYS 247 Cb 0.45 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1a5y h LYS 247 CO 0.02 0.86 -0.03 0.87 -0.57 0.00 0.00 179.45 180.60 1a5y h LYS 248 N 0.70 0.42 -0.50 3.15 1.57 -1.93 -0.52 116.57 119.46 1a5y h LYS 248 Ca 0.12 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1a5y h LYS 248 Cb 0.60 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1a5y h LYS 248 CO 0.04 0.64 0.20 0.28 -0.57 0.00 0.00 179.45 180.04 1a5y h VAL 249 N 0.16 0.87 -0.42 0.50 2.07 -0.85 -0.66 116.25 117.92 1a5y h VAL 249 Ca 0.06 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1a5y h VAL 249 Cb 0.47 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1a5y h VAL 249 CO 0.02 0.07 0.08 0.25 0.02 0.00 0.00 177.57 178.01 1a5y h LEU 250 N 0.39 0.65 -1.91 2.57 5.85 -0.77 -1.57 115.31 120.52 1a5y h LEU 250 Ca 0.23 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1a5y h LEU 250 Cb 0.22 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1a5y h LEU 250 CO -0.22 0.73 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.44 1a5y h LEU 251 N 0.55 0.00 -0.13 2.25 3.38 -0.59 -0.14 115.31 120.62 1a5y h LEU 251 Ca 0.13 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 1a5y h LEU 251 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1a5y h LEU 251 CO 0.01 0.10 -0.97 -0.78 0.09 0.00 0.00 178.44 176.88 1a5y h ASP 252 N 0.00 0.18 0.35 -0.43 3.58 -0.50 -3.07 116.42 116.53 1a5y h ASP 252 Ca -0.00 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.16 1a5y h ASP 252 Cb 0.21 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1a5y h ASP 252 CO 0.01 1.05 -0.51 0.24 -2.88 0.00 0.00 179.24 177.15 1a5y h MET 253 N 0.05 0.19 0.00 0.28 2.86 -0.39 -3.11 114.93 114.82 1a5y h MET 253 Ca -0.05 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1a5y h MET 253 Cb 1.66 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.33 1a5y h MET 253 CO 0.14 0.66 0.00 0.54 1.06 0.00 0.00 176.91 179.31 1a5y n ARG 254 N -3.94 0.06 0.13 1.72 1.74 -0.15 -1.80 116.66 114.43 1a5y n ARG 254 Ca -0.02 0.38 0.13 0.00 -0.77 0.00 0.00 57.85 57.57 1a5y n ARG 254 Cb 0.55 -1.64 0.36 0.00 -1.02 0.00 0.00 32.46 30.71 1a5y n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1a5y h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.60 -3.31 116.57 118.79 1a5y h LYS 255 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1a5y h LYS 255 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1a5y h LYS 255 CO 0.00 0.00 -2.13 1.19 -0.57 0.00 0.00 179.45 177.94 1a5y n PHE 256 N -2.46 0.00 -3.63 -1.35 3.72 -0.74 -4.93 117.46 108.06 1a5y n PHE 256 Ca 0.05 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.33 1a5y n PHE 256 Cb 0.44 -0.71 -0.07 0.00 -0.94 0.00 0.00 39.48 38.21 1a5y n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1a5y s ARG 257 N -2.98 0.80 0.60 -1.08 3.52 -1.19 -4.58 118.95 114.05 1a5y s ARG 257 Ca -0.09 1.05 -0.16 0.00 -0.13 0.00 0.00 55.73 56.41 1a5y s ARG 257 Cb 0.10 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.80 1a5y s ARG 257 CO 0.83 -0.11 1.07 0.00 -0.81 0.00 0.00 175.30 176.28 1a5y s MET 258 N 0.70 3.23 0.00 5.12 0.23 -1.26 -4.30 119.30 123.03 1a5y s MET 258 Ca -0.03 1.25 0.00 0.00 -1.03 0.00 0.00 55.69 55.89 1a5y s MET 258 Cb -0.05 -2.02 0.00 0.00 -1.53 0.00 0.00 34.83 31.23 1a5y s MET 258 CO -0.04 -0.89 0.00 0.41 -2.03 0.00 0.00 175.02 172.47 1a5y n GLY 259 N -0.85 0.21 3.65 3.16 0.00 -1.26 -4.90 105.19 105.20 1a5y n GLY 259 Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.63 1a5y n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a5y n LEU 260 N 0.00 2.67 -1.52 0.99 4.77 -1.26 -3.90 117.00 118.75 1a5y n LEU 260 Ca 0.00 1.08 -0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1a5y n LEU 260 Cb 0.26 -1.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1a5y n LEU 260 CO 0.00 -0.50 -0.01 -0.38 -1.33 0.00 0.00 177.39 175.17 1a5y n ILE 261 N 3.38 -2.88 0.19 -0.08 2.08 0.03 -4.97 119.36 117.10 1a5y n ILE 261 Ca 0.18 0.04 0.08 0.00 0.56 0.00 0.00 62.75 63.61 1a5y n ILE 261 Cb 0.25 -3.68 0.19 0.00 -0.75 0.00 0.00 39.64 35.65 1a5y n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1a5y h ALA 262 N 0.06 0.86 -2.29 -1.39 0.00 -1.74 -3.47 119.26 111.28 1a5y h ALA 262 Ca -0.01 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 1a5y h ALA 262 Cb 0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.61 1a5y h ALA 262 CO 0.00 0.33 -0.67 0.95 0.00 0.00 0.00 179.25 179.86 1a5y s THR 263 N -3.21 0.54 0.35 0.00 -4.23 -1.26 -5.03 115.64 102.80 1a5y s THR 263 Ca 0.04 -1.94 0.24 0.00 -1.18 0.00 0.00 61.69 58.86 1a5y s THR 263 Cb 0.07 -1.94 0.25 0.00 1.34 0.00 0.00 72.50 72.23 1a5y s THR 263 CO 0.69 -0.63 1.99 0.00 -0.54 0.00 0.00 174.62 176.13 1a5y h ALA 264 N 2.84 1.25 -0.09 3.99 0.00 -1.91 -2.93 119.26 122.41 1a5y h ALA 264 Ca -0.36 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 1a5y h ALA 264 Cb 1.19 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1a5y h ALA 264 CO 0.63 0.22 -0.89 1.49 0.00 0.00 0.00 179.25 180.70 1a5y h GLU 265 N 0.00 0.76 -0.74 0.00 4.81 -1.95 -1.34 114.58 116.13 1a5y h GLU 265 Ca -0.00 -0.69 0.06 0.00 -0.13 0.00 0.00 59.36 58.60 1a5y h GLU 265 Cb 0.46 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 1a5y h GLU 265 CO 0.02 1.29 0.48 1.96 -0.73 0.00 0.00 179.01 182.03 1a5y h GLN 266 N 0.49 0.76 0.08 1.92 4.20 -1.82 0.64 115.11 121.39 1a5y h GLN 266 Ca -0.08 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1a5y h GLN 266 Cb 1.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1a5y h GLN 266 CO 0.18 0.50 -0.04 1.25 -0.67 0.00 0.00 178.83 180.06 1a5y h LEU 267 N 0.79 -0.09 -1.07 1.46 5.85 -1.42 0.47 115.31 121.30 1a5y h LEU 267 Ca 0.31 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1a5y h LEU 267 Cb 0.23 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1a5y h LEU 267 CO -0.10 0.18 0.62 -0.09 -0.34 0.00 0.00 178.44 178.71 1a5y h ARG 268 N -0.36 1.07 -0.35 1.25 2.43 -0.51 -1.82 114.38 116.08 1a5y h ARG 268 Ca -0.01 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1a5y h ARG 268 Cb 0.31 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1a5y h ARG 268 CO 0.02 0.71 0.13 0.35 -1.51 0.00 0.00 179.97 179.66 1a5y h PHE 269 N 1.10 0.54 -0.62 2.20 3.57 0.66 -2.79 116.94 121.60 1a5y h PHE 269 Ca 0.42 -0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.99 1a5y h PHE 269 Cb 0.21 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 1a5y h PHE 269 CO -0.00 0.51 0.13 0.77 -2.23 0.00 0.00 178.31 177.49 1a5y h SER 270 N 0.42 -0.01 -0.12 0.41 0.02 -0.07 0.69 113.55 114.89 1a5y h SER 270 Ca 0.12 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1a5y h SER 270 Cb 0.21 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 1a5y h SER 270 CO -0.01 -0.00 -0.09 1.88 -1.14 0.00 0.00 176.83 177.47 1a5y h TYR 271 N 0.25 -0.22 -0.22 3.45 -1.99 -1.30 -0.59 116.97 116.36 1a5y h TYR 271 Ca 0.33 0.02 0.06 0.00 2.00 0.00 0.00 58.73 61.13 1a5y h TYR 271 Cb 0.50 0.12 -0.06 0.00 2.00 0.00 0.00 36.73 39.29 1a5y h TYR 271 CO -0.26 -0.14 -0.17 -0.07 -0.00 0.00 0.00 178.16 177.52 1a5y h LEU 272 N -0.10 -0.55 -0.41 3.88 3.38 -0.83 0.36 115.31 121.04 1a5y h LEU 272 Ca 0.08 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1a5y h LEU 272 Cb 0.21 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1a5y h LEU 272 CO -0.18 -0.21 0.23 0.00 0.09 0.00 0.00 178.44 178.36 1a5y h ALA 273 N 0.94 0.53 0.52 1.53 0.00 -0.80 -2.08 119.26 119.91 1a5y h ALA 273 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1a5y h ALA 273 Cb 0.36 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a5y h ALA 273 CO -0.32 0.05 -0.25 0.28 0.00 0.00 0.00 179.25 179.00 1a5y h VAL 274 N 0.53 0.43 -0.98 0.00 2.07 -0.48 0.40 116.25 118.23 1a5y h VAL 274 Ca 0.15 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.53 1a5y h VAL 274 Cb 0.05 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 1a5y h VAL 274 CO -0.02 0.04 0.62 0.40 0.02 0.00 0.00 177.57 178.62 1a5y h ILE 275 N -0.88 0.86 0.04 4.57 2.04 -0.35 0.88 117.51 124.67 1a5y h ILE 275 Ca -0.07 -0.30 -0.26 0.00 1.00 0.00 0.00 64.86 65.23 1a5y h ILE 275 Cb 0.61 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1a5y h ILE 275 CO 0.12 0.16 -1.06 -0.08 0.00 0.00 0.00 178.15 177.29 1a5y h GLU 276 N 0.88 0.52 0.00 2.37 4.57 -1.28 -3.14 114.58 118.50 1a5y h GLU 276 Ca 0.50 -0.61 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1a5y h GLU 276 Cb 0.62 0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1a5y h GLU 276 CO -0.27 1.23 -0.01 0.78 -1.18 0.00 0.00 179.01 179.57 1a5y h GLY 277 N 0.85 0.00 1.30 1.92 0.00 0.62 -2.73 103.07 105.03 1a5y h GLY 277 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1a5y h GLY 277 CO 0.19 0.00 0.38 0.00 0.00 0.00 0.00 176.54 177.11 1a5y h ALA 278 N 1.99 1.39 -0.02 3.60 0.00 -0.80 -2.24 119.26 123.19 1a5y h ALA 278 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a5y h ALA 278 Cb 0.56 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a5y h ALA 278 CO 0.00 0.50 -0.03 0.87 0.00 0.00 0.00 179.25 180.60 1a5y h LYS 279 N 0.93 -0.02 -0.11 0.00 6.56 -1.58 0.41 116.57 122.77 1a5y h LYS 279 Ca 0.24 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.85 1a5y h LYS 279 Cb 0.01 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.63 1a5y h LYS 279 CO -0.04 -0.01 -0.36 0.35 -2.06 0.00 0.00 179.45 177.33 1a5y h PHE 280 N -0.02 -1.07 -0.89 -1.35 3.57 -1.63 0.11 116.94 115.66 1a5y h PHE 280 Ca 0.00 0.04 0.26 0.00 3.53 0.00 0.00 57.97 61.80 1a5y h PHE 280 Cb 0.03 0.48 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 1a5y h PHE 280 CO -0.61 -0.35 0.91 0.82 -2.23 0.00 0.00 178.31 176.85 1a5y h ILE 281 N -0.37 0.18 -0.56 1.41 1.08 -1.08 0.21 117.51 118.37 1a5y h ILE 281 Ca 0.02 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.29 1a5y h ILE 281 Cb 0.44 0.28 -0.12 0.00 -3.07 0.00 0.00 36.82 34.35 1a5y h ILE 281 CO -0.30 0.00 0.26 0.23 -0.69 0.00 0.00 178.15 177.66 1a5y n MET 282 N -3.56 2.63 0.00 2.37 2.81 0.14 -4.85 117.12 116.65 1a5y n MET 282 Ca 0.19 -2.11 0.00 0.00 -1.81 0.00 0.00 57.70 53.98 1a5y n MET 282 Cb 1.21 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1a5y n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a5y n GLY 283 N -0.18 0.27 2.73 3.03 0.00 0.71 -5.00 105.19 106.75 1a5y n GLY 283 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 1a5y n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a5y n ASP 284 N 0.00 6.98 0.00 1.61 2.03 -1.00 -5.02 116.55 121.15 1a5y n ASP 284 Ca 0.00 -3.43 0.08 0.00 0.52 0.00 0.00 54.79 51.96 1a5y n ASP 284 Cb 0.00 -1.27 0.47 0.00 -0.72 0.00 0.00 41.12 39.59 1a5y n ASP 284 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08