#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c85 h MET 3 N 0.00 0.73 -0.83 5.31 -0.00 -1.87 -1.23 114.93 117.05 1c85 h MET 3 Ca 0.00 -0.04 0.13 0.00 -0.00 0.00 0.00 59.70 59.78 1c85 h MET 3 Cb 0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 31.60 31.35 1c85 h MET 3 CO 0.00 0.48 0.43 1.49 -0.00 0.00 0.00 176.91 179.31 1c85 h GLU 4 N 0.75 0.64 0.14 -0.10 4.81 -1.99 0.45 114.58 119.29 1c85 h GLU 4 Ca 0.24 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1c85 h GLU 4 Cb -0.01 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1c85 h GLU 4 CO -0.09 0.42 -0.07 0.87 -0.73 0.00 0.00 179.01 179.42 1c85 h LYS 5 N 0.66 -0.18 -0.57 1.92 1.57 -1.79 -2.02 116.57 116.15 1c85 h LYS 5 Ca 0.43 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.29 1c85 h LYS 5 Cb 0.55 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1c85 h LYS 5 CO -0.33 0.04 0.27 1.49 -0.57 0.00 0.00 179.45 180.36 1c85 h GLU 6 N -0.39 0.50 -0.08 3.15 4.81 -0.90 0.13 114.58 121.81 1c85 h GLU 6 Ca -0.02 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1c85 h GLU 6 Cb 0.31 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1c85 h GLU 6 CO 0.03 0.33 -0.31 0.35 -0.73 0.00 0.00 179.01 178.68 1c85 h PHE 7 N 0.51 -0.93 -0.59 0.92 3.57 0.02 0.26 116.94 120.70 1c85 h PHE 7 Ca 0.26 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1c85 h PHE 7 Cb 0.21 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1c85 h PHE 7 CO -0.11 -0.31 0.39 0.93 -2.23 0.00 0.00 178.31 176.98 1c85 h GLU 8 N -0.33 0.54 -0.51 1.11 5.08 -1.08 0.18 114.58 119.56 1c85 h GLU 8 Ca 0.02 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1c85 h GLU 8 Cb 0.39 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1c85 h GLU 8 CO -0.25 0.35 -0.03 0.37 -1.00 0.00 0.00 179.01 178.46 1c85 h GLN 9 N 0.55 0.88 0.22 2.33 4.15 -0.28 1.00 115.11 123.96 1c85 h GLN 9 Ca 0.26 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1c85 h GLN 9 Cb 0.31 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1c85 h GLN 9 CO -0.08 0.90 -0.10 0.82 -1.93 0.00 0.00 178.83 178.44 1c85 h ILE 10 N 0.81 0.86 -0.19 2.39 2.04 0.11 -2.95 117.51 120.58 1c85 h ILE 10 Ca 0.15 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.42 1c85 h ILE 10 Cb 0.52 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 1c85 h ILE 10 CO 0.03 0.14 -0.38 -0.78 0.00 0.00 0.00 178.15 177.16 1c85 h ASP 11 N -0.62 -1.19 -0.42 1.72 3.58 -1.14 0.93 116.42 119.27 1c85 h ASP 11 Ca -0.03 0.17 0.07 0.00 0.42 0.00 0.00 57.03 57.66 1c85 h ASP 11 Cb 0.45 0.50 -0.09 0.00 1.72 0.00 0.00 39.33 41.91 1c85 h ASP 11 CO 0.05 -0.39 -0.45 0.07 -2.88 0.00 0.00 179.24 175.65 1c85 h LYS 12 N -0.42 -0.32 -0.98 0.28 2.10 -0.78 -0.18 116.57 116.28 1c85 h LYS 12 Ca 0.10 0.02 -0.33 0.00 -2.00 0.00 0.00 60.65 58.44 1c85 h LYS 12 Cb 0.59 0.07 -0.20 0.00 -0.90 0.00 0.00 32.23 31.79 1c85 h LYS 12 CO -0.42 -0.21 0.42 -1.13 -2.00 0.00 0.00 179.45 176.11 1c85 n SER 13 N -5.41 3.59 -3.75 7.07 3.41 -0.94 -4.91 113.62 112.67 1c85 n SER 13 Ca -0.01 -3.09 -0.22 0.00 -0.26 0.00 0.00 58.87 55.30 1c85 n SER 13 Cb 0.35 -0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 63.50 1c85 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c85 n GLY 14 N -0.57 -0.09 1.41 5.00 0.00 0.09 -4.84 105.19 106.19 1c85 n GLY 14 Ca 0.40 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.64 1c85 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c85 n SER 15 N -1.88 4.39 -0.26 1.61 3.41 0.09 -4.57 113.62 116.41 1c85 n SER 15 Ca -0.21 -2.35 0.07 0.00 -0.26 0.00 0.00 58.87 56.12 1c85 n SER 15 Cb 0.47 -0.53 0.20 0.00 -0.26 0.00 0.00 64.21 64.10 1c85 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1c85 h TRP 16 N 3.79 0.32 -0.61 7.33 4.06 -1.89 0.76 115.95 129.72 1c85 h TRP 16 Ca 0.00 0.04 0.08 0.00 2.06 0.00 0.00 58.89 61.07 1c85 h TRP 16 Cb 1.29 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 29.37 1c85 h TRP 16 CO 0.65 -0.09 0.26 0.00 -3.56 0.00 0.00 178.44 175.70 1c85 h ALA 17 N 1.64 0.79 0.22 1.49 0.00 -1.91 0.15 119.26 121.63 1c85 h ALA 17 Ca 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1c85 h ALA 17 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1c85 h ALA 17 CO -0.53 -0.13 -0.10 0.00 0.00 0.00 0.00 179.25 178.49 1c85 h ALA 18 N 1.38 -0.29 -0.44 0.00 0.00 -1.61 0.11 119.26 118.42 1c85 h ALA 18 Ca 0.30 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1c85 h ALA 18 Cb 0.31 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1c85 h ALA 18 CO -0.26 -0.46 -0.42 0.82 0.00 0.00 0.00 179.25 178.92 1c85 h ILE 19 N -0.69 0.11 -0.18 0.00 1.08 -0.64 0.20 117.51 117.39 1c85 h ILE 19 Ca -0.03 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 1c85 h ILE 19 Cb 0.48 0.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.28 1c85 h ILE 19 CO 0.05 0.00 -0.27 0.22 -0.69 0.00 0.00 178.15 177.46 1c85 h TYR 20 N -0.31 -0.71 -0.70 1.37 3.20 -0.72 0.88 116.97 119.98 1c85 h TYR 20 Ca 0.15 0.04 0.15 0.00 3.14 0.00 0.00 58.73 62.20 1c85 h TYR 20 Cb 0.58 0.34 -0.12 0.00 1.54 0.00 0.00 36.73 39.07 1c85 h TYR 20 CO -0.63 -0.34 -0.03 1.96 -1.64 0.00 0.00 178.16 177.47 1c85 h GLN 21 N -0.31 0.09 -0.21 1.82 4.20 0.28 -0.54 115.11 120.43 1c85 h GLN 21 Ca 0.11 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.88 1c85 h GLN 21 Cb 0.48 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 1c85 h GLN 21 CO -0.35 0.06 -0.23 -0.44 -0.67 0.00 0.00 178.83 177.19 1c85 h ASP 22 N 0.09 -0.73 -0.28 1.46 3.32 0.87 0.13 116.42 121.27 1c85 h ASP 22 Ca 0.37 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.61 1c85 h ASP 22 Cb 0.62 0.34 -0.08 0.00 0.22 0.00 0.00 39.33 40.44 1c85 h ASP 22 CO -0.63 -0.27 -0.26 0.40 -1.72 0.00 0.00 179.24 176.76 1c85 h ILE 23 N -0.25 0.35 -0.81 0.35 2.04 0.09 0.82 117.51 120.09 1c85 h ILE 23 Ca 0.13 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.08 1c85 h ILE 23 Cb 0.44 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1c85 h ILE 23 CO -0.36 0.00 0.53 0.03 0.00 0.00 0.00 178.15 178.35 1c85 h ARG 24 N -0.26 0.74 0.00 2.37 3.08 0.30 -1.04 114.38 119.57 1c85 h ARG 24 Ca 0.15 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1c85 h ARG 24 Cb 0.48 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1c85 h ARG 24 CO -0.42 0.49 -0.65 0.45 -1.07 0.00 0.00 179.97 178.76 1c85 h HIS 25 N 0.76 0.00 0.00 3.04 3.86 0.14 -3.18 115.15 119.77 1c85 h HIS 25 Ca 0.38 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.57 1c85 h HIS 25 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 1c85 h HIS 25 CO -0.00 0.65 -0.49 0.93 0.86 0.00 0.00 177.93 179.89 1c85 h GLU 26 N 0.00 0.00 -6.94 2.45 5.08 0.08 -3.48 114.58 111.78 1c85 h GLU 26 Ca -0.01 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.83 1c85 h GLU 26 Cb 1.22 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.55 1c85 h GLU 26 CO 0.09 0.05 0.60 0.00 -1.00 0.00 0.00 179.01 178.74 1c85 s ALA 27 N -3.24 3.26 0.08 3.43 0.00 -0.51 -4.92 121.76 119.87 1c85 s ALA 27 Ca 0.03 1.20 -0.37 0.00 0.00 0.00 0.00 51.96 52.82 1c85 s ALA 27 Cb 0.07 -3.47 -0.18 0.00 0.00 0.00 0.00 23.12 19.54 1c85 s ALA 27 CO 0.73 -0.77 1.18 0.43 0.00 0.00 0.00 175.76 177.33 1c85 n SER 28 N 0.18 0.89 -4.01 0.00 7.64 -1.26 -5.03 113.62 112.03 1c85 n SER 28 Ca 0.03 1.14 -0.31 0.00 1.01 0.00 0.00 58.87 60.74 1c85 n SER 28 Cb 0.44 -1.09 -0.15 0.00 -1.01 0.00 0.00 64.21 62.40 1c85 n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1c85 s ASP 29 N 0.16 4.51 0.25 6.43 2.15 -1.26 -4.83 116.67 124.08 1c85 s ASP 29 Ca 0.84 -1.76 0.11 0.00 0.43 0.00 0.00 52.55 52.16 1c85 s ASP 29 Cb -1.04 -1.50 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 1c85 s ASP 29 CO 0.52 -0.30 -0.11 -0.36 -0.17 0.00 0.00 175.17 174.74 1c85 s PHE 30 N 1.07 2.50 0.64 -5.34 0.08 -1.26 -5.11 117.98 110.57 1c85 s PHE 30 Ca 0.02 -0.27 -0.18 0.00 0.12 0.00 0.00 56.93 56.62 1c85 s PHE 30 Cb -0.19 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1c85 s PHE 30 CO -0.08 0.63 1.29 -1.25 -0.10 0.00 0.00 175.22 175.72 1c85 s PRO 31 N -3.41 2.57 -0.39 0.24 0.04 -1.26 -4.78 135.00 128.01 1c85 s PRO 31 Ca 0.29 2.06 0.09 0.00 0.04 0.00 0.00 61.00 63.48 1c85 s PRO 31 Cb -0.06 -1.85 0.44 0.00 0.04 0.00 0.00 34.50 33.06 1c85 s PRO 31 CO 0.17 -1.58 1.09 0.00 0.04 0.00 0.00 177.00 176.71 1c85 h ARG 33 N 2.61 0.17 -0.04 0.00 -0.00 -1.94 -1.85 114.38 113.34 1c85 h ARG 33 Ca 0.21 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.66 1c85 h ARG 33 Cb 1.07 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 31.00 1c85 h ARG 33 CO 0.73 0.12 -0.01 0.28 0.00 0.00 0.00 179.97 181.08 1c85 h VAL 34 N 0.18 1.31 -1.01 2.04 2.07 -1.92 -2.52 116.25 116.40 1c85 h VAL 34 Ca 0.34 -0.96 0.23 0.00 0.82 0.00 0.00 66.70 67.13 1c85 h VAL 34 Cb 0.55 1.88 -0.12 0.00 -1.52 0.00 0.00 31.29 32.08 1c85 h VAL 34 CO -0.49 0.26 0.61 0.00 0.02 0.00 0.00 177.57 177.96 1c85 h ALA 35 N 0.63 1.82 -0.13 1.67 0.00 -1.84 0.17 119.26 121.58 1c85 h ALA 35 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1c85 h ALA 35 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1c85 h ALA 35 CO 0.01 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.63 1c85 n LYS 36 N -4.82 1.52 -1.85 0.00 4.76 -0.70 -4.72 118.16 112.34 1c85 n LYS 36 Ca 0.26 -0.79 -0.41 0.00 -2.87 0.00 0.00 58.31 54.50 1c85 n LYS 36 Cb 0.72 -1.35 -0.01 0.00 -1.84 0.00 0.00 35.03 32.55 1c85 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1c85 s LEU 37 N -1.53 4.35 0.58 -0.35 1.02 0.58 -4.90 118.68 118.44 1c85 s LEU 37 Ca 0.30 2.91 0.28 0.00 0.02 0.00 0.00 54.13 57.64 1c85 s LEU 37 Cb 0.15 -3.64 1.69 0.00 0.02 0.00 0.00 46.19 44.42 1c85 s LEU 37 CO 0.24 -0.84 2.16 -0.65 0.02 0.00 0.00 176.35 177.28 1c85 h PRO 38 N 4.29 0.00 0.00 1.29 0.11 -1.91 0.31 132.00 136.09 1c85 h PRO 38 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1c85 h PRO 38 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1c85 h PRO 38 CO 0.74 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.89 1c85 n LYS 39 N -3.87 0.62 -0.04 1.05 2.85 -1.26 -2.79 118.16 114.73 1c85 n LYS 39 Ca -0.00 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.27 1c85 n LYS 39 Cb 0.23 -1.44 0.03 0.00 -0.65 0.00 0.00 35.03 33.20 1c85 n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1c85 n ASN 40 N -0.94 2.17 0.08 -5.58 3.02 0.11 -4.76 115.26 109.35 1c85 n ASN 40 Ca 0.13 -1.98 -0.14 0.00 -0.03 0.00 0.00 54.58 52.57 1c85 n ASN 40 Cb 0.06 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 1c85 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1c85 h LYS 41 N 0.42 -0.60 0.00 3.52 3.64 -1.57 0.14 116.57 122.11 1c85 h LYS 41 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1c85 h LYS 41 Cb 0.54 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1c85 h LYS 41 CO 0.00 -0.40 0.00 0.27 -2.27 0.00 0.00 179.45 177.05 1c85 n ASN 42 N -5.03 0.00 0.06 4.20 0.23 -1.26 -0.36 115.26 113.10 1c85 n ASN 42 Ca -0.07 -0.12 0.11 0.00 -0.53 0.00 0.00 54.58 53.98 1c85 n ASN 42 Cb 0.35 -0.08 -0.02 0.00 -2.08 0.00 0.00 39.78 37.94 1c85 n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1c85 n ARG 43 N -1.08 0.54 -4.28 -3.83 1.74 0.45 -4.88 116.66 105.32 1c85 n ARG 43 Ca 0.05 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 1c85 n ARG 43 Cb 0.04 -1.71 -0.09 0.00 -1.02 0.00 0.00 32.46 29.68 1c85 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1c85 s ASN 44 N -4.85 5.35 0.14 0.55 0.01 0.51 -4.65 114.94 112.00 1c85 s ASN 44 Ca -0.01 0.13 0.10 0.00 -0.71 0.00 0.00 52.86 52.38 1c85 s ASN 44 Cb 0.12 -1.50 -0.13 0.00 0.41 0.00 0.00 41.25 40.14 1c85 s ASN 44 CO 0.81 0.34 1.23 -0.09 -1.51 0.00 0.00 177.10 177.89 1c85 h ARG 45 N 4.81 0.00 -6.63 -0.60 2.43 -1.90 -3.46 114.38 109.03 1c85 h ARG 45 Ca -0.50 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 57.97 1c85 h ARG 45 Cb 1.19 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 30.45 1c85 h ARG 45 CO 0.56 0.76 -0.89 0.71 -1.51 0.00 0.00 179.97 179.61 1c85 s TYR 46 N -2.78 2.32 0.49 2.20 2.02 -1.26 -5.04 117.35 115.29 1c85 s TYR 46 Ca 0.01 -0.43 0.14 0.00 -0.37 0.00 0.00 57.07 56.42 1c85 s TYR 46 Cb 0.09 -1.46 1.15 0.00 -0.40 0.00 0.00 41.96 41.34 1c85 s TYR 46 CO 0.80 0.01 2.10 -0.09 -1.57 0.00 0.00 175.55 176.80 1c85 h ARG 47 N 5.30 0.17 0.00 -0.62 2.43 -2.00 -3.20 114.38 116.46 1c85 h ARG 47 Ca -0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1c85 h ARG 47 Cb 1.13 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1c85 h ARG 47 CO 0.46 0.11 -1.23 -0.40 -1.51 0.00 0.00 179.97 177.40 1c85 n ASP 48 N -4.51 1.62 -4.15 -3.80 5.75 -1.26 -4.83 116.55 105.37 1c85 n ASP 48 Ca 0.00 -0.27 -0.37 0.00 -0.01 0.00 0.00 54.79 54.15 1c85 n ASP 48 Cb 0.14 1.38 -0.12 0.00 -1.03 0.00 0.00 41.12 41.49 1c85 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1c85 s VAL 49 N -2.62 3.38 0.17 2.12 1.01 -1.21 -5.09 120.40 118.17 1c85 s VAL 49 Ca -0.01 -1.85 0.10 0.00 0.00 0.00 0.00 61.98 60.22 1c85 s VAL 49 Cb 0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1c85 s VAL 49 CO 0.51 -0.57 -0.23 -0.44 0.00 0.00 0.00 175.10 174.38 1c85 s SER 50 N 1.78 3.13 0.09 3.32 0.01 -1.26 -4.68 113.70 116.08 1c85 s SER 50 Ca 0.05 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.17 1c85 s SER 50 Cb -0.22 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.73 1c85 s SER 50 CO -0.03 0.08 1.16 -2.16 0.41 0.00 0.00 173.24 172.70 1c85 s PRO 51 N -2.55 4.48 0.44 12.44 0.04 -1.26 -4.42 135.00 144.17 1c85 s PRO 51 Ca 0.17 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 1c85 s PRO 51 Cb -0.08 -3.34 -0.08 0.00 0.04 0.00 0.00 34.50 31.05 1c85 s PRO 51 CO 0.08 -0.16 1.26 -0.06 0.04 0.00 0.00 177.00 178.16 1c85 s PHE 52 N 0.72 2.76 0.19 0.56 0.08 -1.26 -4.47 117.98 116.55 1c85 s PHE 52 Ca 0.56 1.45 -0.13 0.00 0.12 0.00 0.00 56.93 58.93 1c85 s PHE 52 Cb -0.29 -3.59 0.20 0.00 -0.57 0.00 0.00 43.02 38.77 1c85 s PHE 52 CO 0.31 -2.01 1.69 -0.44 -0.10 0.00 0.00 175.22 174.67 1c85 h ASP 53 N 2.28 -0.13 -0.30 1.36 3.32 -0.14 0.62 116.42 123.44 1c85 h ASP 53 Ca -0.50 0.11 0.07 0.00 0.02 0.00 0.00 57.03 56.73 1c85 h ASP 53 Cb 1.26 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 40.92 1c85 h ASP 53 CO 0.61 -0.03 -0.14 1.12 -1.72 0.00 0.00 179.24 179.08 1c85 h HIS 54 N 0.16 -0.33 -0.01 4.55 2.07 -1.92 -2.17 115.15 117.50 1c85 h HIS 54 Ca 0.26 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 1c85 h HIS 54 Cb 0.37 0.19 0.00 0.00 2.57 0.00 0.00 27.41 30.55 1c85 h HIS 54 CO -0.28 -0.21 -0.15 -1.13 -3.07 0.00 0.00 177.93 173.09 1c85 n SER 55 N -5.31 1.23 -4.76 3.10 3.41 -1.12 -4.97 113.62 105.19 1c85 n SER 55 Ca 0.00 -1.14 -0.37 0.00 -0.26 0.00 0.00 58.87 57.10 1c85 n SER 55 Cb 0.23 0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1c85 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c85 s ARG 56 N -2.30 3.34 -0.15 4.33 1.70 0.20 -2.30 118.95 123.76 1c85 s ARG 56 Ca 0.30 1.87 -0.29 0.00 -0.47 0.00 0.00 55.73 57.14 1c85 s ARG 56 Cb 0.20 -2.19 -0.01 0.00 -0.57 0.00 0.00 34.95 32.39 1c85 s ARG 56 CO 0.44 -0.92 1.09 0.42 -1.08 0.00 0.00 175.30 175.25 1c85 s ILE 57 N -1.53 4.58 -0.23 4.99 -1.09 -0.49 -4.83 121.20 122.60 1c85 s ILE 57 Ca 0.71 1.89 -0.15 0.00 -2.23 0.00 0.00 60.65 60.87 1c85 s ILE 57 Cb -0.31 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.31 1c85 s ILE 57 CO 0.36 -0.09 0.36 -0.54 -1.23 0.00 0.00 174.94 173.80 1c85 s LYS 58 N 2.73 4.10 0.65 2.79 1.02 -1.26 -3.98 119.74 125.78 1c85 s LYS 58 Ca 0.49 0.07 -0.17 0.00 0.02 0.00 0.00 55.97 56.38 1c85 s LYS 58 Cb -0.19 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1c85 s LYS 58 CO 0.14 -0.12 1.21 -0.51 -0.92 0.00 0.00 175.35 175.14 1c85 s LEU 59 N 1.58 3.53 -0.19 3.17 1.43 0.48 -4.86 118.68 123.81 1c85 s LEU 59 Ca 0.16 2.37 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 1c85 s LEU 59 Cb -0.15 -4.59 0.12 0.00 0.03 0.00 0.00 46.19 41.60 1c85 s LEU 59 CO 0.08 -1.84 2.04 1.41 0.23 0.00 0.00 176.35 178.28 1c85 n HIS 60 N -2.04 0.93 -2.51 0.29 8.25 -1.26 -4.50 115.22 114.38 1c85 n HIS 60 Ca 0.13 -1.59 -0.25 0.00 -0.26 0.00 0.00 57.72 55.76 1c85 n HIS 60 Cb 0.50 -0.80 0.04 0.00 1.12 0.00 0.00 29.99 30.85 1c85 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1c85 s GLN 61 N -1.08 2.71 -0.13 -0.41 -2.07 -1.26 -5.02 119.66 112.40 1c85 s GLN 61 Ca 0.20 -0.29 0.01 0.00 -1.82 0.00 0.00 55.36 53.45 1c85 s GLN 61 Cb 0.15 -2.34 -0.24 0.00 -1.09 0.00 0.00 33.01 29.49 1c85 s GLN 61 CO -0.01 -0.74 0.33 0.39 -1.32 0.00 0.00 175.29 173.94 1c85 n GLU 62 N -2.52 0.71 0.00 9.60 1.02 -1.26 -4.43 120.64 123.76 1c85 n GLU 62 Ca 0.05 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1c85 n GLU 62 Cb 0.59 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1c85 n GLU 62 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1c85 n ASP 63 N -3.30 0.00 -3.39 1.62 2.03 -1.26 -4.66 116.55 107.59 1c85 n ASP 63 Ca -0.30 0.70 -0.12 0.00 0.52 0.00 0.00 54.79 55.59 1c85 n ASP 63 Cb 1.05 -0.20 -0.09 0.00 -0.72 0.00 0.00 41.12 41.15 1c85 n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1c85 s ASN 64 N -2.73 0.61 0.00 1.67 3.84 -1.26 -5.02 114.94 112.04 1c85 s ASN 64 Ca 0.00 0.04 0.09 0.00 0.21 0.00 0.00 52.86 53.20 1c85 s ASN 64 Cb 0.00 0.90 0.55 0.00 -0.55 0.00 0.00 41.25 42.15 1c85 s ASN 64 CO 0.00 -0.31 0.99 -0.90 -2.79 0.00 0.00 177.10 174.09 1c85 n ASP 65 N 5.35 0.00 -4.67 -4.21 5.75 -1.26 -4.81 116.55 112.70 1c85 n ASP 65 Ca -0.04 -0.31 -0.42 0.00 -0.01 0.00 0.00 54.79 54.01 1c85 n ASP 65 Cb 0.50 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.56 1c85 n ASP 65 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1c85 s TYR 66 N -2.00 3.40 -0.03 2.11 5.04 -1.26 -0.38 117.35 124.22 1c85 s TYR 66 Ca 0.14 1.43 0.06 0.00 -2.44 0.00 0.00 57.07 56.26 1c85 s TYR 66 Cb 0.06 -3.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.18 1c85 s TYR 66 CO 0.11 -0.36 -0.21 -1.50 -1.34 0.00 0.00 175.55 172.25 1c85 s ILE 67 N 2.67 1.66 -1.02 3.14 2.07 -1.26 -4.91 121.20 123.55 1c85 s ILE 67 Ca 0.43 -0.87 -0.23 0.00 -1.41 0.00 0.00 60.65 58.57 1c85 s ILE 67 Cb -0.16 -1.40 -0.02 0.00 0.13 0.00 0.00 42.46 41.01 1c85 s ILE 67 CO 0.10 0.47 1.78 0.21 -1.91 0.00 0.00 174.94 175.60 1c85 s ASN 68 N -0.25 5.67 -0.11 4.50 3.84 -1.26 -4.66 114.94 122.67 1c85 s ASN 68 Ca 0.02 -1.24 -0.27 0.00 0.21 0.00 0.00 52.86 51.59 1c85 s ASN 68 Cb -0.10 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 38.09 1c85 s ASN 68 CO 0.01 -2.30 0.64 0.00 -2.79 0.00 0.00 177.10 172.66 1c85 s ALA 69 N 8.22 -1.62 -0.05 1.71 0.00 -1.26 -3.14 121.76 125.61 1c85 s ALA 69 Ca 0.61 1.41 0.02 0.00 0.00 0.00 0.00 51.96 54.00 1c85 s ALA 69 Cb -0.03 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1c85 s ALA 69 CO -0.00 -0.34 -0.09 -1.12 0.00 0.00 0.00 175.76 174.21 1c85 s SER 70 N -0.68 1.36 -0.29 0.00 0.01 -0.22 -1.40 113.70 112.49 1c85 s SER 70 Ca -0.08 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 1c85 s SER 70 Cb -0.02 -0.63 -0.00 0.00 0.21 0.00 0.00 66.02 65.57 1c85 s SER 70 CO 0.06 -0.00 1.33 -0.22 0.41 0.00 0.00 173.24 174.82 1c85 s LEU 71 N 0.74 3.90 -0.38 2.44 2.96 -0.97 -1.28 118.68 126.09 1c85 s LEU 71 Ca -0.13 1.26 -0.22 0.00 -0.22 0.00 0.00 54.13 54.83 1c85 s LEU 71 Cb -0.15 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.01 1c85 s LEU 71 CO 0.02 -1.08 0.71 -0.63 -1.32 0.00 0.00 176.35 174.05 1c85 s ILE 72 N 4.41 4.80 -0.56 6.68 1.09 0.36 -4.90 121.20 133.07 1c85 s ILE 72 Ca 0.57 0.61 -0.07 0.00 -1.10 0.00 0.00 60.65 60.66 1c85 s ILE 72 Cb -0.18 -4.17 0.14 0.00 -1.06 0.00 0.00 42.46 37.20 1c85 s ILE 72 CO 0.23 -0.44 0.42 -0.75 -0.10 0.00 0.00 174.94 174.30 1c85 s LYS 73 N 2.93 2.62 -0.96 2.79 2.20 -1.26 -1.58 119.74 126.48 1c85 s LYS 73 Ca 0.27 -2.09 -0.23 0.00 -0.36 0.00 0.00 55.97 53.57 1c85 s LYS 73 Cb -0.14 -3.91 0.06 0.00 -1.51 0.00 0.00 37.83 32.33 1c85 s LYS 73 CO 0.17 -1.19 1.36 -1.64 -0.36 0.00 0.00 175.35 173.69 1c85 s MET 74 N 0.77 3.53 0.04 4.03 -1.94 -0.82 -4.94 119.30 119.97 1c85 s MET 74 Ca 0.11 -1.12 -0.10 0.00 -1.71 0.00 0.00 55.69 52.87 1c85 s MET 74 Cb -0.22 -5.11 -0.03 0.00 2.01 0.00 0.00 34.83 31.48 1c85 s MET 74 CO -0.03 -2.11 1.16 1.49 -0.01 0.00 0.00 175.02 175.52 1c85 h GLU 75 N 9.65 -0.05 -0.15 2.03 4.81 -1.96 0.66 114.58 129.57 1c85 h GLU 75 Ca 0.12 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1c85 h GLU 75 Cb 1.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1c85 h GLU 75 CO 1.35 -0.04 0.08 1.49 -0.73 0.00 0.00 179.01 181.16 1c85 h GLU 76 N -0.06 0.21 0.00 1.92 4.81 -1.98 -2.28 114.58 117.22 1c85 h GLU 76 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1c85 h GLU 76 Cb 0.15 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1c85 h GLU 76 CO -0.24 0.24 0.00 0.00 -0.73 0.00 0.00 179.01 178.29 1c85 h ALA 77 N 0.96 1.00 -5.59 2.92 0.00 -1.89 -3.47 119.26 113.18 1c85 h ALA 77 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 1c85 h ALA 77 Cb 0.10 0.00 0.18 0.00 0.00 0.00 0.00 17.79 18.06 1c85 h ALA 77 CO -0.01 0.00 -0.81 1.04 0.00 0.00 0.00 179.25 179.47 1c85 n GLN 78 N -2.34 -4.68 -3.65 0.00 6.02 0.23 -4.85 117.38 108.11 1c85 n GLN 78 Ca 0.03 0.84 -0.04 0.00 -0.01 0.00 0.00 57.00 57.82 1c85 n GLN 78 Cb 0.29 -5.80 -0.06 0.00 1.02 0.00 0.00 30.24 25.69 1c85 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1c85 s ARG 79 N -5.00 0.54 0.19 -1.09 3.52 -1.03 -5.02 118.95 111.06 1c85 s ARG 79 Ca 0.20 1.29 0.07 0.00 -0.13 0.00 0.00 55.73 57.16 1c85 s ARG 79 Cb -0.03 0.58 -0.04 0.00 -1.56 0.00 0.00 34.95 33.90 1c85 s ARG 79 CO 0.74 -0.20 0.05 -1.12 -0.81 0.00 0.00 175.30 173.96 1c85 s SER 80 N 2.51 4.98 0.20 -2.12 0.01 -1.26 -1.95 113.70 116.07 1c85 s SER 80 Ca -0.06 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1c85 s SER 80 Cb -0.10 -1.12 -0.05 0.00 0.21 0.00 0.00 66.02 64.96 1c85 s SER 80 CO -0.18 0.06 0.06 -0.31 0.41 0.00 0.00 173.24 173.28 1c85 s TYR 81 N -1.87 1.27 -0.27 2.43 1.51 -0.61 -4.21 117.35 115.61 1c85 s TYR 81 Ca 0.29 -1.16 -0.05 0.00 -1.01 0.00 0.00 57.07 55.15 1c85 s TYR 81 Cb -0.09 -0.72 0.01 0.00 -0.11 0.00 0.00 41.96 41.05 1c85 s TYR 81 CO 0.20 -0.36 0.02 0.42 -1.11 0.00 0.00 175.55 174.73 1c85 s ILE 82 N -3.82 3.57 -0.17 2.71 1.01 0.37 -0.49 121.20 124.39 1c85 s ILE 82 Ca 0.31 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1c85 s ILE 82 Cb 0.07 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1c85 s ILE 82 CO 0.08 0.17 0.27 -0.76 0.00 0.00 0.00 174.94 174.70 1c85 s LEU 83 N 1.45 4.23 0.22 2.97 1.43 -0.40 0.57 118.68 129.14 1c85 s LEU 83 Ca 0.02 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 1c85 s LEU 83 Cb -0.17 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 1c85 s LEU 83 CO -0.00 0.10 0.02 0.28 0.23 0.00 0.00 176.35 176.97 1c85 s THR 84 N 0.53 0.81 0.83 5.49 -1.32 -0.29 -1.06 115.64 120.63 1c85 s THR 84 Ca 0.15 -2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 58.50 1c85 s THR 84 Cb -0.13 -2.32 0.09 0.00 -1.51 0.00 0.00 72.50 68.63 1c85 s THR 84 CO 0.03 -0.31 1.17 0.00 -2.21 0.00 0.00 174.62 173.30 1c85 s GLN 85 N -3.92 1.83 -0.07 7.08 -2.07 -1.19 -2.76 119.66 118.56 1c85 s GLN 85 Ca 0.29 0.18 -0.30 0.00 -1.82 0.00 0.00 55.36 53.71 1c85 s GLN 85 Cb 0.06 -1.93 -0.04 0.00 -1.09 0.00 0.00 33.01 30.01 1c85 s GLN 85 CO 0.08 -1.70 1.42 0.20 -1.32 0.00 0.00 175.29 173.97 1c85 s GLY 86 N -4.44 1.70 0.18 2.60 0.00 0.12 -4.86 107.32 102.62 1c85 s GLY 86 Ca 0.62 0.74 -0.32 0.00 0.00 0.00 0.00 44.72 45.76 1c85 s GLY 86 CO 0.50 2.65 1.08 -1.55 0.00 0.00 0.00 173.10 175.78 1c85 n PRO 87 N 6.31 1.03 -1.63 2.90 -0.04 -1.26 -4.55 135.00 137.76 1c85 n PRO 87 Ca 0.14 0.37 -0.30 0.00 -0.04 0.00 0.00 63.50 63.67 1c85 n PRO 87 Cb 0.44 -1.80 0.08 0.00 -0.04 0.00 0.00 33.50 32.17 1c85 n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c85 s LEU 88 N 0.79 2.73 0.58 1.53 1.43 -1.26 -0.98 118.68 123.50 1c85 s LEU 88 Ca 0.71 1.31 0.37 0.00 -1.03 0.00 0.00 54.13 55.49 1c85 s LEU 88 Cb -0.86 -4.00 1.72 0.00 0.03 0.00 0.00 46.19 43.08 1c85 s LEU 88 CO 0.54 -1.76 2.10 -0.65 0.23 0.00 0.00 176.35 176.81 1c85 h PRO 89 N -0.94 0.00 -0.01 1.29 0.11 -1.95 -2.29 132.00 128.20 1c85 h PRO 89 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1c85 h PRO 89 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1c85 h PRO 89 CO 0.60 0.00 -0.26 0.27 -0.21 0.00 0.00 178.00 178.40 1c85 n ASN 90 N -3.05 0.94 -0.13 -2.05 6.94 -1.26 -4.12 115.26 112.54 1c85 n ASN 90 Ca -0.01 -0.82 0.06 0.00 -0.02 0.00 0.00 54.58 53.80 1c85 n ASN 90 Cb 0.22 0.13 0.08 0.00 -2.36 0.00 0.00 39.78 37.85 1c85 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1c85 n THR 91 N -0.73 1.32 0.15 5.53 -2.24 -0.87 -4.72 114.28 112.71 1c85 n THR 91 Ca 0.12 -1.54 -0.00 0.00 -2.27 0.00 0.00 64.05 60.35 1c85 n THR 91 Cb 0.34 0.08 0.22 0.00 -2.10 0.00 0.00 70.33 68.87 1c85 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c85 h GLY 93 N 1.70 0.55 -0.10 0.00 0.00 -1.89 -2.68 103.07 100.65 1c85 h GLY 93 Ca -0.01 -1.03 0.10 0.00 0.00 0.00 0.00 47.33 46.40 1c85 h GLY 93 CO 0.07 0.91 -0.18 0.45 0.00 0.00 0.00 176.54 177.80 1c85 h HIS 94 N 0.02 -0.42 -0.56 5.60 3.86 -1.86 -1.60 115.15 120.19 1c85 h HIS 94 Ca -0.11 0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1c85 h HIS 94 Cb 1.52 0.26 -0.10 0.00 1.06 0.00 0.00 27.41 30.16 1c85 h HIS 94 CO 0.14 -0.27 -0.02 0.35 0.86 0.00 0.00 177.93 178.99 1c85 h PHE 95 N -0.06 -0.07 0.00 2.45 3.57 -1.04 0.51 116.94 122.29 1c85 h PHE 95 Ca 0.24 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 1c85 h PHE 95 Cb 0.43 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1c85 h PHE 95 CO -0.47 -0.16 -0.62 -1.49 -2.23 0.00 0.00 178.31 173.34 1c85 h TRP 96 N 0.10 0.00 -0.81 0.41 4.06 -1.34 -2.00 115.95 116.37 1c85 h TRP 96 Ca 0.29 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.27 1c85 h TRP 96 Cb 0.45 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.57 1c85 h TRP 96 CO -0.36 0.62 0.52 1.49 -3.56 0.00 0.00 178.44 177.15 1c85 h GLU 97 N 0.00 1.00 -0.70 0.49 4.81 -0.83 0.17 114.58 119.52 1c85 h GLU 97 Ca -0.01 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1c85 h GLU 97 Cb 1.11 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 1c85 h GLU 97 CO 0.08 0.66 0.45 1.98 -0.73 0.00 0.00 179.01 181.45 1c85 h MET 98 N 1.03 0.89 -0.38 1.92 4.05 -0.37 0.17 114.93 122.24 1c85 h MET 98 Ca 0.32 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.57 1c85 h MET 98 Cb -0.01 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.57 1c85 h MET 98 CO -0.10 0.59 -0.24 0.28 0.23 0.00 0.00 176.91 177.66 1c85 h VAL 99 N 0.91 1.27 0.55 -5.77 2.07 -1.15 0.12 116.25 114.26 1c85 h VAL 99 Ca 0.27 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 1c85 h VAL 99 Cb -0.06 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1c85 h VAL 99 CO -0.08 0.45 -0.26 -0.25 0.02 0.00 0.00 177.57 177.45 1c85 h TRP 100 N 0.66 -0.68 -0.25 1.57 2.91 0.76 -2.61 115.95 118.31 1c85 h TRP 100 Ca 0.09 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.13 1c85 h TRP 100 Cb 0.75 0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 29.60 1c85 h TRP 100 CO 0.04 -0.43 0.04 0.93 -1.03 0.00 0.00 178.44 178.00 1c85 h GLU 101 N -0.85 0.13 0.00 2.65 5.08 -0.71 -2.44 114.58 118.44 1c85 h GLU 101 Ca -0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1c85 h GLU 101 Cb 0.57 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1c85 h GLU 101 CO 0.12 0.09 0.00 1.04 -1.00 0.00 0.00 179.01 179.26 1c85 n GLN 102 N -5.09 0.10 -2.64 2.33 1.13 0.42 -4.93 117.38 108.70 1c85 n GLN 102 Ca -0.01 0.29 -0.07 0.00 -1.94 0.00 0.00 57.00 55.26 1c85 n GLN 102 Cb 0.11 -1.68 0.03 0.00 0.11 0.00 0.00 30.24 28.82 1c85 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1c85 n LYS 103 N -1.87 -2.64 -3.28 -1.09 5.02 -0.92 -4.07 118.16 109.32 1c85 n LYS 103 Ca 0.04 0.32 -0.30 0.00 -2.02 0.00 0.00 58.31 56.34 1c85 n LYS 103 Cb 0.24 -3.77 -0.04 0.00 -0.02 0.00 0.00 35.03 31.44 1c85 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c85 s SER 104 N -3.40 6.53 -0.18 4.39 0.01 -1.01 -0.43 113.70 119.61 1c85 s SER 104 Ca 0.06 0.87 0.16 0.00 1.31 0.00 0.00 55.95 58.35 1c85 s SER 104 Cb -0.03 -2.21 -0.22 0.00 0.21 0.00 0.00 66.02 63.77 1c85 s SER 104 CO 0.27 -0.19 0.06 -1.14 0.41 0.00 0.00 173.24 172.65 1c85 n ARG 105 N -0.70 1.03 -4.10 12.44 0.00 -1.26 -4.90 116.66 119.17 1c85 n ARG 105 Ca -0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.85 57.75 1c85 n ARG 105 Cb 0.53 -1.47 -0.10 0.00 0.00 0.00 0.00 32.46 31.43 1c85 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1c85 s GLY 106 N -5.25 0.54 -0.07 5.14 0.00 -1.26 -1.56 107.32 104.87 1c85 s GLY 106 Ca -0.09 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.50 1c85 s GLY 106 CO 0.74 -1.24 -0.10 0.14 0.00 0.00 0.00 173.10 172.64 1c85 s VAL 107 N -3.29 1.02 -0.24 1.40 1.01 -0.28 -2.06 120.40 117.95 1c85 s VAL 107 Ca 0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1c85 s VAL 107 Cb 0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1c85 s VAL 107 CO -0.06 0.33 0.01 -0.69 0.00 0.00 0.00 175.10 174.69 1c85 s VAL 108 N 0.83 3.76 -0.39 2.92 1.01 0.30 -0.76 120.40 128.07 1c85 s VAL 108 Ca -0.12 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1c85 s VAL 108 Cb -0.15 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.50 1c85 s VAL 108 CO 0.02 0.35 0.24 -0.32 0.00 0.00 0.00 175.10 175.38 1c85 s MET 109 N 1.53 2.84 0.00 2.72 0.00 0.15 -1.30 119.30 125.24 1c85 s MET 109 Ca 0.05 -1.12 0.19 0.00 0.00 0.00 0.00 55.69 54.81 1c85 s MET 109 Cb -0.15 -3.81 0.59 0.00 0.00 0.00 0.00 34.83 31.46 1c85 s MET 109 CO -0.00 -0.75 1.45 1.28 0.00 0.00 0.00 175.02 177.00 1c85 n LEU 110 N 5.04 2.04 -4.36 4.11 4.77 0.46 -2.00 117.00 127.06 1c85 n LEU 110 Ca -0.11 -0.91 -0.18 0.00 -0.03 0.00 0.00 56.01 54.77 1c85 n LEU 110 Cb 0.46 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 1c85 n LEU 110 CO 0.38 0.45 -0.34 0.54 -1.33 0.00 0.00 177.39 177.09 1c85 s ASN 111 N -1.39 2.12 0.11 -1.43 2.20 -1.25 -4.58 114.94 110.72 1c85 s ASN 111 Ca 0.31 -1.20 -0.05 0.00 -0.94 0.00 0.00 52.86 50.99 1c85 s ASN 111 Cb 0.17 -0.05 -0.05 0.00 -2.00 0.00 0.00 41.25 39.32 1c85 s ASN 111 CO 0.25 -0.45 0.34 -0.13 -2.94 0.00 0.00 177.10 174.17 1c85 s ARG 112 N -3.81 3.60 0.42 3.55 0.52 -1.26 -4.86 118.95 117.11 1c85 s ARG 112 Ca 0.28 -0.11 0.16 0.00 -0.52 0.00 0.00 55.73 55.54 1c85 s ARG 112 Cb 0.05 -2.92 0.92 0.00 0.52 0.00 0.00 34.95 33.53 1c85 s ARG 112 CO 0.09 0.52 1.92 0.28 0.02 0.00 0.00 175.30 178.13 1c85 h VAL 113 N 2.26 1.10 -3.31 3.52 2.07 -1.94 -3.39 116.25 116.56 1c85 h VAL 113 Ca -0.47 -0.94 -0.66 0.00 0.82 0.00 0.00 66.70 65.45 1c85 h VAL 113 Cb 1.17 1.52 -0.29 0.00 -1.52 0.00 0.00 31.29 32.17 1c85 h VAL 113 CO 0.72 0.26 -0.77 -0.32 0.02 0.00 0.00 177.57 177.48 1c85 s MET 114 N -4.33 3.31 -0.02 1.57 -2.45 -1.26 0.43 119.30 116.55 1c85 s MET 114 Ca -0.03 -0.69 -0.03 0.00 -1.25 0.00 0.00 55.69 53.69 1c85 s MET 114 Cb 0.15 -2.77 0.01 0.00 1.25 0.00 0.00 34.83 33.46 1c85 s MET 114 CO 0.69 -0.02 0.08 -1.21 1.05 0.00 0.00 175.02 175.62 1c85 s GLU 115 N 0.95 0.15 -1.32 4.11 2.02 0.18 -4.88 118.70 119.91 1c85 s GLU 115 Ca -0.02 0.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.87 1c85 s GLU 115 Cb -0.15 0.07 0.10 0.00 0.10 0.00 0.00 34.13 34.25 1c85 s GLU 115 CO -0.01 -0.02 0.52 1.63 0.02 0.00 0.00 175.26 177.40 1c85 n LYS 116 N 2.77 -3.12 0.00 1.61 5.02 -1.26 -0.91 118.16 122.28 1c85 n LYS 116 Ca -0.14 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1c85 n LYS 116 Cb 0.59 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 1c85 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c85 n GLY 117 N -1.16 1.59 3.44 0.72 0.00 -1.26 -5.00 105.19 103.51 1c85 n GLY 117 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1c85 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c85 s SER 118 N -2.18 3.53 -0.56 1.61 0.01 -0.08 -5.10 113.70 110.93 1c85 s SER 118 Ca 0.00 -0.77 -0.25 0.00 1.31 0.00 0.00 55.95 56.24 1c85 s SER 118 Cb 0.00 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 65.94 1c85 s SER 118 CO 0.00 0.14 1.02 -0.76 0.41 0.00 0.00 173.24 174.06 1c85 s LEU 119 N -2.43 3.89 0.06 2.44 1.43 -1.26 -0.65 118.68 122.16 1c85 s LEU 119 Ca 0.19 -0.20 0.27 0.00 -1.03 0.00 0.00 54.13 53.36 1c85 s LEU 119 Cb -0.09 -2.94 0.96 0.00 0.03 0.00 0.00 46.19 44.15 1c85 s LEU 119 CO 0.09 -1.31 1.78 0.29 0.23 0.00 0.00 176.35 177.43 1c85 n LYS 120 N 7.78 0.09 -3.65 1.70 4.76 0.17 -4.91 118.16 124.11 1c85 n LYS 120 Ca 0.04 0.06 -0.04 0.00 -2.87 0.00 0.00 58.31 55.51 1c85 n LYS 120 Cb 0.48 -1.59 -0.07 0.00 -1.84 0.00 0.00 35.03 32.01 1c85 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c85 s ALA 122 N 0.23 2.31 -1.17 0.00 0.00 -0.15 -4.73 121.76 118.26 1c85 s ALA 122 Ca 0.04 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.34 1c85 s ALA 122 Cb -0.05 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.77 1c85 s ALA 122 CO -0.13 -1.56 1.69 -1.14 0.00 0.00 0.00 175.76 174.61 1c85 s GLN 123 N -4.27 3.58 0.00 0.00 2.00 -1.26 -4.81 119.66 114.90 1c85 s GLN 123 Ca 0.67 -1.50 0.24 0.00 -2.00 0.00 0.00 55.36 52.77 1c85 s GLN 123 Cb -0.21 -5.41 0.36 0.00 0.80 0.00 0.00 33.01 28.54 1c85 s GLN 123 CO 0.46 -2.53 1.31 2.48 -0.50 0.00 0.00 175.29 176.51 1c85 n TYR 124 N 9.67 0.00 -4.41 1.67 0.18 -1.26 -4.91 117.16 118.10 1c85 n TYR 124 Ca 0.43 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.96 1c85 n TYR 124 Cb 0.48 -0.16 -0.11 0.00 -0.38 0.00 0.00 39.34 39.16 1c85 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1c85 s TRP 125 N -2.90 2.15 -0.01 -3.48 -2.14 -1.26 -5.03 118.94 106.27 1c85 s TRP 125 Ca 0.13 -0.39 -0.30 0.00 2.66 0.00 0.00 56.10 58.20 1c85 s TRP 125 Cb 0.17 -1.02 -0.05 0.00 -3.10 0.00 0.00 33.47 29.47 1c85 s TRP 125 CO 0.70 0.52 1.34 -2.14 -2.66 0.00 0.00 176.95 174.71 1c85 s PRO 126 N -3.02 4.31 0.00 3.25 0.02 -1.26 -4.92 135.00 133.38 1c85 s PRO 126 Ca 0.23 1.88 0.31 0.00 0.02 0.00 0.00 61.00 63.44 1c85 s PRO 126 Cb -0.06 -3.55 1.71 0.00 0.02 0.00 0.00 34.50 32.63 1c85 s PRO 126 CO 0.10 -0.52 2.13 1.04 -0.33 0.00 0.00 177.00 179.42 1c85 n GLN 127 N 5.21 0.91 -3.70 5.54 6.02 -1.26 -4.51 117.38 125.59 1c85 n GLN 127 Ca 0.12 -0.09 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 1c85 n GLN 127 Cb 0.44 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.11 1c85 n GLN 127 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1c85 s LYS 128 N -2.15 0.57 0.00 -1.09 -2.85 -1.26 -5.08 119.74 107.87 1c85 s LYS 128 Ca 0.42 0.71 0.00 0.00 -1.00 0.00 0.00 55.97 56.10 1c85 s LYS 128 Cb 0.21 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1c85 s LYS 128 CO 0.39 -0.08 0.00 -0.85 0.10 0.00 0.00 175.35 174.92 1c85 n GLU 129 N 2.96 0.00 -0.07 1.78 0.00 -1.26 -1.91 120.64 122.14 1c85 n GLU 129 Ca -0.14 0.00 0.25 0.00 0.00 0.00 0.00 57.16 57.27 1c85 n GLU 129 Cb 0.57 0.00 0.62 0.00 0.00 0.00 0.00 31.44 32.62 1c85 n GLU 129 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1c85 h GLU 130 N 0.00 0.00 -3.13 3.44 3.07 -1.98 -3.38 114.58 112.61 1c85 h GLU 130 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 1c85 h GLU 130 Cb 0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.50 1c85 h GLU 130 CO 0.00 0.00 -0.66 -1.59 -1.40 0.00 0.00 179.01 175.36 1c85 s LYS 131 N -4.55 1.88 0.98 2.33 -2.85 -0.80 -5.10 119.74 111.64 1c85 s LYS 131 Ca -0.04 -2.66 -0.11 0.00 -1.00 0.00 0.00 55.97 52.17 1c85 s LYS 131 Cb 0.15 -2.98 0.18 0.00 -2.06 0.00 0.00 37.83 33.13 1c85 s LYS 131 CO 0.53 -1.19 1.11 -1.21 0.10 0.00 0.00 175.35 174.69 1c85 s GLU 132 N -0.46 0.47 0.08 1.78 8.01 -1.26 -4.47 118.70 122.84 1c85 s GLU 132 Ca 0.21 1.36 0.04 0.00 0.01 0.00 0.00 54.97 56.59 1c85 s GLU 132 Cb -0.17 -1.68 -0.04 0.00 -4.31 0.00 0.00 34.13 27.93 1c85 s GLU 132 CO -0.06 -2.94 0.00 -1.64 0.01 0.00 0.00 175.26 170.62 1c85 s MET 133 N -4.59 2.59 -0.06 1.61 -1.94 -0.61 -5.01 119.30 111.28 1c85 s MET 133 Ca 0.67 -0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 53.84 1c85 s MET 133 Cb -0.23 -2.56 0.03 0.00 2.01 0.00 0.00 34.83 34.07 1c85 s MET 133 CO 0.60 0.55 -0.00 0.42 -0.01 0.00 0.00 175.02 176.58 1c85 s ILE 134 N -1.28 0.36 -0.60 2.53 1.09 -1.26 0.06 121.20 122.10 1c85 s ILE 134 Ca 0.25 0.11 -0.20 0.00 -1.10 0.00 0.00 60.65 59.71 1c85 s ILE 134 Cb -0.12 -0.51 0.09 0.00 -1.06 0.00 0.00 42.46 40.87 1c85 s ILE 134 CO 0.17 0.25 0.76 -0.36 -0.10 0.00 0.00 174.94 175.66 1c85 s PHE 135 N 1.81 2.92 0.21 3.97 0.08 0.96 -4.92 117.98 123.01 1c85 s PHE 135 Ca 0.02 -0.82 -0.10 0.00 0.12 0.00 0.00 56.93 56.16 1c85 s PHE 135 Cb -0.13 -4.05 0.16 0.00 -0.57 0.00 0.00 43.02 38.43 1c85 s PHE 135 CO -0.04 -1.36 1.84 0.93 -0.10 0.00 0.00 175.22 176.48 1c85 h GLU 136 N 9.27 1.06 -0.51 0.44 5.08 -1.97 0.14 114.58 128.09 1c85 h GLU 136 Ca -0.29 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1c85 h GLU 136 Cb 1.08 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1c85 h GLU 136 CO 1.11 0.77 0.08 0.38 -1.00 0.00 0.00 179.01 180.35 1c85 h ASP 137 N 1.06 0.75 -0.25 1.42 2.03 -1.96 -2.95 116.42 116.52 1c85 h ASP 137 Ca 0.27 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1c85 h ASP 137 Cb 0.00 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 1c85 h ASP 137 CO -0.05 0.77 0.00 0.35 -1.03 0.00 0.00 179.24 179.28 1c85 n THR 138 N -4.26 0.46 -2.87 1.15 -2.24 -1.06 -5.00 114.28 100.46 1c85 n THR 138 Ca 0.03 -0.73 -0.15 0.00 -2.27 0.00 0.00 64.05 60.93 1c85 n THR 138 Cb 0.25 0.96 0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1c85 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1c85 n ASN 139 N 0.99 -4.71 -4.37 3.42 5.15 0.46 -4.96 115.26 111.24 1c85 n ASN 139 Ca 0.13 -0.23 -0.30 0.00 -0.60 0.00 0.00 54.58 53.58 1c85 n ASN 139 Cb 0.47 -3.51 -0.14 0.00 -0.53 0.00 0.00 39.78 36.06 1c85 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1c85 s LEU 140 N -4.78 2.25 0.11 1.20 1.43 -1.12 -2.03 118.68 115.73 1c85 s LEU 140 Ca 0.25 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1c85 s LEU 140 Cb -0.11 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1c85 s LEU 140 CO 0.31 0.24 -0.11 -0.75 0.23 0.00 0.00 176.35 176.27 1c85 s LYS 141 N -1.42 2.09 -0.14 1.70 2.20 0.37 -0.02 119.74 124.51 1c85 s LYS 141 Ca 0.13 -1.05 -0.09 0.00 -0.36 0.00 0.00 55.97 54.60 1c85 s LYS 141 Cb -0.10 -2.28 0.05 0.00 -1.51 0.00 0.00 37.83 33.99 1c85 s LYS 141 CO 0.03 0.50 0.34 -1.17 -0.36 0.00 0.00 175.35 174.70 1c85 s LEU 142 N -2.23 0.24 -0.03 5.43 2.96 0.11 -1.83 118.68 123.34 1c85 s LEU 142 Ca 0.21 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 54.88 1c85 s LEU 142 Cb -0.11 1.12 0.00 0.00 0.50 0.00 0.00 46.19 47.70 1c85 s LEU 142 CO 0.13 -0.17 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.01 1c85 s THR 143 N 1.08 0.80 0.01 3.68 2.01 0.30 -1.58 115.64 121.94 1c85 s THR 143 Ca -0.07 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.25 1c85 s THR 143 Cb -0.08 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.66 1c85 s THR 143 CO -0.08 0.25 1.45 -0.22 -0.69 0.00 0.00 174.62 175.33 1c85 s LEU 144 N 0.20 4.32 -0.26 4.42 2.96 -1.26 -0.69 118.68 128.37 1c85 s LEU 144 Ca -0.03 2.18 -0.13 0.00 -0.22 0.00 0.00 54.13 55.92 1c85 s LEU 144 Cb -0.09 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 42.90 1c85 s LEU 144 CO 0.01 -0.76 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.66 1c85 n ILE 145 N 4.71 1.53 -3.90 6.68 2.08 0.14 -4.37 119.36 126.23 1c85 n ILE 145 Ca 0.14 -0.36 -0.08 0.00 0.56 0.00 0.00 62.75 63.00 1c85 n ILE 145 Cb 0.43 -1.85 -0.02 0.00 -0.75 0.00 0.00 39.64 37.45 1c85 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1c85 s SER 146 N -7.28 -0.12 0.03 4.38 1.04 -0.68 -4.99 113.70 106.07 1c85 s SER 146 Ca -0.37 -0.81 -0.03 0.00 0.48 0.00 0.00 55.95 55.22 1c85 s SER 146 Cb 0.13 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.94 1c85 s SER 146 CO 0.53 -1.35 0.05 -1.83 0.98 0.00 0.00 173.24 171.61 1c85 s GLU 147 N -3.66 0.48 -0.47 4.02 -1.05 -1.26 -1.19 118.70 115.58 1c85 s GLU 147 Ca 0.15 -0.71 0.03 0.00 -0.15 0.00 0.00 54.97 54.30 1c85 s GLU 147 Cb -0.04 0.18 0.13 0.00 -0.44 0.00 0.00 34.13 33.96 1c85 s GLU 147 CO 0.09 -0.11 0.25 0.34 0.95 0.00 0.00 175.26 176.78 1c85 s ASP 148 N -1.89 3.92 -0.09 0.83 2.15 0.43 -4.96 116.67 117.06 1c85 s ASP 148 Ca -0.09 -2.80 -0.30 0.00 0.43 0.00 0.00 52.55 49.80 1c85 s ASP 148 Cb -0.04 -1.28 -0.03 0.00 -0.30 0.00 0.00 42.92 41.27 1c85 s ASP 148 CO -0.03 -0.25 1.29 -0.63 -0.17 0.00 0.00 175.17 175.37 1c85 s ILE 149 N 0.07 4.14 0.34 4.11 -1.09 -1.26 -2.40 121.20 125.10 1c85 s ILE 149 Ca 0.17 1.43 0.04 0.00 -2.23 0.00 0.00 60.65 60.07 1c85 s ILE 149 Cb -0.25 -3.92 0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1c85 s ILE 149 CO -0.00 -0.06 0.35 0.29 -1.23 0.00 0.00 174.94 174.29 1c85 n LYS 150 N 5.90 0.90 -0.15 2.79 4.76 0.27 -4.98 118.16 127.66 1c85 n LYS 150 Ca 0.13 -1.99 -0.11 0.00 -2.87 0.00 0.00 58.31 53.47 1c85 n LYS 150 Cb 0.45 0.06 0.02 0.00 -1.84 0.00 0.00 35.03 33.72 1c85 n LYS 150 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1c85 h THR 151 N 0.37 1.27 -0.00 -0.18 1.35 -1.45 -3.33 112.91 110.94 1c85 h THR 151 Ca -0.19 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 1c85 h THR 151 Cb 0.76 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1c85 h THR 151 CO 0.29 0.47 -0.00 0.00 -0.25 0.00 0.00 175.52 176.03 1c85 n TYR 152 N -4.11 0.00 -3.65 4.73 4.11 -1.26 -4.98 117.16 112.00 1c85 n TYR 152 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1c85 n TYR 152 Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.75 1c85 n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1c85 s TYR 153 N -0.32 -0.20 -0.03 -3.48 -0.85 -1.25 -0.38 117.35 110.84 1c85 s TYR 153 Ca 0.00 -0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.46 1c85 s TYR 153 Cb 0.00 0.33 0.01 0.00 0.38 0.00 0.00 41.96 42.68 1c85 s TYR 153 CO 0.00 -0.79 -0.06 0.99 -1.52 0.00 0.00 175.55 174.17 1c85 s THR 154 N -3.82 0.60 -0.23 -3.49 2.01 -0.72 0.96 115.64 110.94 1c85 s THR 154 Ca 0.05 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1c85 s THR 154 Cb 0.01 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1c85 s THR 154 CO -0.09 0.21 0.09 -0.69 -0.69 0.00 0.00 174.62 173.45 1c85 s VAL 155 N 0.40 4.76 -0.05 3.82 1.01 -1.01 -1.57 120.40 127.76 1c85 s VAL 155 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1c85 s VAL 155 Cb -0.09 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1c85 s VAL 155 CO 0.00 0.37 -0.07 -0.13 0.00 0.00 0.00 175.10 175.28 1c85 s ARG 156 N 1.10 2.71 -0.23 2.72 0.52 -0.13 -0.43 118.95 125.20 1c85 s ARG 156 Ca 0.05 -0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 54.61 1c85 s ARG 156 Cb -0.14 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 1c85 s ARG 156 CO 0.04 0.65 0.05 -1.14 0.02 0.00 0.00 175.30 174.92 1c85 s GLN 157 N -0.95 3.69 0.07 3.54 0.74 -0.33 -0.69 119.66 125.73 1c85 s GLN 157 Ca 0.14 -0.47 0.06 0.00 0.05 0.00 0.00 55.36 55.14 1c85 s GLN 157 Cb -0.11 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1c85 s GLN 157 CO 0.03 -0.08 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.07 1c85 s LEU 158 N 1.31 2.97 -0.19 3.68 1.43 -0.42 0.26 118.68 127.72 1c85 s LEU 158 Ca 0.05 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1c85 s LEU 158 Cb -0.15 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 1c85 s LEU 158 CO 0.03 0.22 -0.03 -0.70 0.23 0.00 0.00 176.35 176.10 1c85 s GLU 159 N -1.85 3.54 -0.25 1.70 2.12 0.13 -1.46 118.70 122.64 1c85 s GLU 159 Ca 0.19 -0.56 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 1c85 s GLU 159 Cb -0.11 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 1c85 s GLU 159 CO 0.10 -0.00 0.02 -1.17 -0.54 0.00 0.00 175.26 173.67 1c85 s LEU 160 N 1.00 3.30 -0.13 2.70 2.96 -0.40 -0.54 118.68 127.58 1c85 s LEU 160 Ca 0.01 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1c85 s LEU 160 Cb -0.14 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1c85 s LEU 160 CO 0.01 -0.07 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.12 1c85 s GLU 161 N 1.52 3.30 -1.01 1.98 2.12 -0.76 0.88 118.70 126.73 1c85 s GLU 161 Ca 0.05 -0.72 -0.23 0.00 0.36 0.00 0.00 54.97 54.42 1c85 s GLU 161 Cb -0.15 -2.59 -0.00 0.00 0.26 0.00 0.00 34.13 31.64 1c85 s GLU 161 CO 0.00 0.15 1.74 1.21 -0.54 0.00 0.00 175.26 177.82 1c85 s ASN 162 N 0.49 5.80 0.61 -1.70 2.47 0.89 -0.48 114.94 123.01 1c85 s ASN 162 Ca -0.10 -1.24 0.27 0.00 0.42 0.00 0.00 52.86 52.21 1c85 s ASN 162 Cb -0.16 -2.57 1.35 0.00 -1.45 0.00 0.00 41.25 38.42 1c85 s ASN 162 CO 0.05 -2.16 1.76 -0.07 -3.72 0.00 0.00 177.10 172.96 1c85 h LEU 163 N 15.44 0.00 -0.81 3.21 3.38 -1.62 0.56 115.31 135.46 1c85 h LEU 163 Ca 0.18 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1c85 h LEU 163 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1c85 h LEU 163 CO 1.32 0.00 -0.36 0.74 0.09 0.00 0.00 178.44 180.22 1c85 h THR 164 N 0.00 1.29 -0.00 0.22 2.02 -1.89 -3.30 112.91 111.25 1c85 h THR 164 Ca 0.21 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1c85 h THR 164 Cb 1.39 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1c85 h THR 164 CO -0.00 0.46 -0.31 0.35 0.37 0.00 0.00 175.52 176.39 1c85 n THR 165 N -4.05 0.00 -1.20 3.16 -2.24 -0.31 -4.96 114.28 104.67 1c85 n THR 165 Ca -0.01 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1c85 n THR 165 Cb 0.48 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 1c85 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c85 n GLN 166 N -0.62 -1.62 -2.15 -0.78 6.02 0.18 -4.99 117.38 113.43 1c85 n GLN 166 Ca 0.03 0.74 -0.35 0.00 -0.01 0.00 0.00 57.00 57.41 1c85 n GLN 166 Cb 0.19 -4.95 0.01 0.00 1.02 0.00 0.00 30.24 26.52 1c85 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1c85 s GLU 167 N -2.67 3.21 0.14 -1.09 2.12 -1.13 -4.87 118.70 114.42 1c85 s GLU 167 Ca 0.00 1.64 0.08 0.00 0.36 0.00 0.00 54.97 57.05 1c85 s GLU 167 Cb 0.00 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 1c85 s GLU 167 CO 0.00 -0.97 -0.18 0.99 -0.54 0.00 0.00 175.26 174.56 1c85 s THR 168 N -1.78 1.69 0.06 -1.70 2.01 -1.26 -0.08 115.64 114.58 1c85 s THR 168 Ca 0.73 -1.81 -0.23 0.00 0.31 0.00 0.00 61.69 60.70 1c85 s THR 168 Cb -0.25 -1.72 0.05 0.00 0.01 0.00 0.00 72.50 70.59 1c85 s THR 168 CO 0.30 -0.29 0.53 -0.13 -0.69 0.00 0.00 174.62 174.34 1c85 s ARG 169 N -2.61 1.06 -0.08 4.92 0.52 0.26 -4.93 118.95 118.09 1c85 s ARG 169 Ca 0.13 -0.26 -0.09 0.00 -0.52 0.00 0.00 55.73 54.98 1c85 s ARG 169 Cb -0.06 0.49 -0.05 0.00 0.52 0.00 0.00 34.95 35.85 1c85 s ARG 169 CO 0.05 -0.39 0.22 -1.83 0.02 0.00 0.00 175.30 173.37 1c85 s GLU 170 N -2.60 3.58 -0.19 3.54 -1.05 -1.26 -1.27 118.70 119.45 1c85 s GLU 170 Ca -0.04 0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 1c85 s GLU 170 Cb -0.01 -3.19 0.02 0.00 -0.44 0.00 0.00 34.13 30.51 1c85 s GLU 170 CO -0.03 0.75 -0.18 0.42 0.95 0.00 0.00 175.26 177.17 1c85 s ILE 171 N -1.06 2.22 -0.23 1.83 -1.09 -0.53 -4.85 121.20 117.49 1c85 s ILE 171 Ca 0.18 -0.92 -0.29 0.00 -2.23 0.00 0.00 60.65 57.39 1c85 s ILE 171 Cb -0.13 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.79 1c85 s ILE 171 CO 0.07 0.50 1.09 -0.76 -1.23 0.00 0.00 174.94 174.62 1c85 s LEU 172 N 1.30 4.09 -0.29 2.97 1.43 -0.60 -1.30 118.68 126.29 1c85 s LEU 172 Ca 0.04 1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 54.42 1c85 s LEU 172 Cb -0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1c85 s LEU 172 CO -0.11 -0.72 0.27 -2.28 0.23 0.00 0.00 176.35 173.73 1c85 s HIS 173 N 3.34 3.23 -0.43 0.29 2.46 0.14 -1.13 115.29 123.18 1c85 s HIS 173 Ca 0.47 0.18 -0.12 0.00 0.47 0.00 0.00 55.06 56.05 1c85 s HIS 173 Cb -0.16 -2.47 0.07 0.00 -0.13 0.00 0.00 32.58 29.88 1c85 s HIS 173 CO 0.09 -0.22 0.31 -0.06 -2.47 0.00 0.00 174.74 172.39 1c85 s PHE 174 N 1.88 3.28 -0.71 3.88 0.40 0.06 -0.96 117.98 125.82 1c85 s PHE 174 Ca 0.10 -1.16 -0.13 0.00 -0.60 0.00 0.00 56.93 55.14 1c85 s PHE 174 Cb -0.16 -2.95 0.18 0.00 0.51 0.00 0.00 43.02 40.60 1c85 s PHE 174 CO 0.11 -0.79 0.63 -1.58 0.70 0.00 0.00 175.22 174.29 1c85 s HIS 175 N 1.54 3.57 -0.33 0.36 2.46 -0.61 0.32 115.29 122.61 1c85 s HIS 175 Ca 0.03 -1.88 -0.28 0.00 0.47 0.00 0.00 55.06 53.40 1c85 s HIS 175 Cb -0.23 -3.73 -0.03 0.00 -0.13 0.00 0.00 32.58 28.46 1c85 s HIS 175 CO 0.05 -0.98 1.97 -0.47 -2.47 0.00 0.00 174.74 172.84 1c85 s TYR 176 N 0.60 1.55 -1.90 3.88 6.14 -0.85 -1.76 117.35 125.01 1c85 s TYR 176 Ca 0.13 0.69 0.20 0.00 0.64 0.00 0.00 57.07 58.73 1c85 s TYR 176 Cb -0.17 -4.02 0.50 0.00 0.42 0.00 0.00 41.96 38.69 1c85 s TYR 176 CO -0.05 -3.19 1.42 0.25 0.64 0.00 0.00 175.55 174.63 1c85 n THR 177 N 7.55 0.82 -1.59 4.34 -2.24 0.49 -3.83 114.28 119.81 1c85 n THR 177 Ca 0.26 -0.91 0.06 0.00 -2.27 0.00 0.00 64.05 61.18 1c85 n THR 177 Cb 0.47 0.67 0.10 0.00 -2.10 0.00 0.00 70.33 69.47 1c85 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1c85 n THR 178 N 1.37 1.16 -3.09 4.28 -2.24 -1.24 -4.90 114.28 109.63 1c85 n THR 178 Ca 0.20 -1.61 -0.45 0.00 -2.27 0.00 0.00 64.05 59.93 1c85 n THR 178 Cb 0.57 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 1c85 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1c85 s TRP 179 N -1.75 3.10 0.17 4.78 -0.11 -1.26 -4.54 118.94 119.33 1c85 s TRP 179 Ca 0.24 -1.16 -0.34 0.00 1.22 0.00 0.00 56.10 56.07 1c85 s TRP 179 Cb 0.22 -4.06 -0.14 0.00 -1.50 0.00 0.00 33.47 27.99 1c85 s TRP 179 CO -0.02 -1.32 1.47 -0.35 -4.62 0.00 0.00 176.95 172.12 1c85 n PRO 180 N 6.14 1.90 -1.53 5.86 -0.04 -1.26 -4.82 135.00 141.25 1c85 n PRO 180 Ca 0.00 0.68 -0.53 0.00 -0.04 0.00 0.00 63.50 63.62 1c85 n PRO 180 Cb 0.44 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 1c85 n PRO 180 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1c85 n ASP 181 N 2.85 0.66 -1.04 3.54 2.03 -1.26 -0.26 116.55 123.07 1c85 n ASP 181 Ca 0.16 1.14 -0.14 0.00 0.52 0.00 0.00 54.79 56.47 1c85 n ASP 181 Cb 0.28 -1.08 -0.06 0.00 -0.72 0.00 0.00 41.12 39.53 1c85 n ASP 181 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1c85 n PHE 182 N 1.53 0.00 -3.47 -0.67 3.72 -1.26 -4.93 117.46 112.38 1c85 n PHE 182 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1c85 n PHE 182 Cb 0.18 -2.68 0.00 0.00 -0.94 0.00 0.00 39.48 36.05 1c85 n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c85 n GLY 183 N -0.64 5.80 3.33 1.37 0.00 0.64 -4.93 105.19 110.76 1c85 n GLY 183 Ca -0.14 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 1c85 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1c85 s VAL 184 N -0.29 1.79 0.93 1.61 -7.23 -1.26 -4.74 120.40 111.21 1c85 s VAL 184 Ca 0.00 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1c85 s VAL 184 Cb 0.00 -1.87 0.15 0.00 0.56 0.00 0.00 36.38 35.22 1c85 s VAL 184 CO 0.00 -0.38 1.09 -2.16 -0.31 0.00 0.00 175.10 173.34 1c85 s PRO 185 N -2.97 0.96 0.39 4.82 0.04 -1.26 -4.40 135.00 132.59 1c85 s PRO 185 Ca 0.17 0.94 0.11 0.00 0.04 0.00 0.00 61.00 62.26 1c85 s PRO 185 Cb -0.05 -1.77 0.91 0.00 0.04 0.00 0.00 34.50 33.64 1c85 s PRO 185 CO 0.07 -2.48 1.92 0.93 0.04 0.00 0.00 177.00 177.48 1c85 h GLU 186 N -1.73 0.55 -2.97 4.56 3.07 -1.99 -3.44 114.58 112.64 1c85 h GLU 186 Ca -0.50 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.37 1c85 h GLU 186 Cb 1.29 -0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 28.99 1c85 h GLU 186 CO 0.52 0.37 0.24 -1.54 -1.40 0.00 0.00 179.01 177.19 1c85 s SER 187 N -6.01 -0.38 0.21 1.42 1.04 -1.26 -5.01 113.70 103.72 1c85 s SER 187 Ca -0.09 -0.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 1c85 s SER 187 Cb 0.21 0.67 0.29 0.00 0.10 0.00 0.00 66.02 67.29 1c85 s SER 187 CO 0.77 -1.18 1.76 -0.65 0.98 0.00 0.00 173.24 174.92 1c85 h PRO 188 N 2.00 0.45 -0.93 4.02 0.11 -1.94 -2.13 132.00 133.59 1c85 h PRO 188 Ca -0.25 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.97 1c85 h PRO 188 Cb 1.27 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1c85 h PRO 188 CO 0.29 0.30 0.59 0.00 -0.21 0.00 0.00 178.00 178.97 1c85 h ALA 189 N 1.42 1.75 0.10 -0.75 0.00 -1.96 0.99 119.26 120.80 1c85 h ALA 189 Ca 0.32 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1c85 h ALA 189 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1c85 h ALA 189 CO -0.29 0.00 -0.05 0.77 0.00 0.00 0.00 179.25 179.68 1c85 h SER 190 N 0.77 -0.11 -0.03 0.00 0.02 -1.73 0.24 113.55 112.71 1c85 h SER 190 Ca 0.47 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1c85 h SER 190 Cb 0.67 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.19 1c85 h SER 190 CO -0.23 0.34 -0.36 0.15 -1.14 0.00 0.00 176.83 175.59 1c85 h PHE 191 N -0.59 -1.00 -0.62 3.45 3.57 -0.93 -1.30 116.94 119.52 1c85 h PHE 191 Ca -0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1c85 h PHE 191 Cb 0.48 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1c85 h PHE 191 CO 0.07 -0.44 0.41 -0.07 -2.23 0.00 0.00 178.31 176.05 1c85 h LEU 192 N -0.49 0.65 0.24 0.59 3.38 -0.86 0.21 115.31 119.03 1c85 h LEU 192 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1c85 h LEU 192 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1c85 h LEU 192 CO -0.31 0.46 -0.12 -1.13 0.09 0.00 0.00 178.44 177.43 1c85 h ASN 193 N 0.76 -0.27 -0.27 -0.43 -1.24 -0.70 -1.83 115.58 111.59 1c85 h ASN 193 Ca 0.24 -0.09 0.06 0.00 0.71 0.00 0.00 56.30 57.22 1c85 h ASN 193 Cb 0.04 0.07 -0.08 0.00 0.73 0.00 0.00 38.32 39.08 1c85 h ASN 193 CO -0.06 -0.07 -0.37 0.15 -1.29 0.00 0.00 177.43 175.78 1c85 h PHE 194 N -0.46 -1.05 -0.99 0.67 3.57 -0.76 -1.30 116.94 116.62 1c85 h PHE 194 Ca -0.03 0.05 0.29 0.00 3.53 0.00 0.00 57.97 61.81 1c85 h PHE 194 Cb 0.35 0.50 -0.14 0.00 2.79 0.00 0.00 35.95 39.45 1c85 h PHE 194 CO -0.02 -0.42 0.54 1.25 -2.23 0.00 0.00 178.31 177.43 1c85 h LEU 195 N -0.36 0.50 0.21 0.59 6.46 -0.52 -0.95 115.31 121.24 1c85 h LEU 195 Ca 0.12 0.18 -0.33 0.00 -0.12 0.00 0.00 57.88 57.73 1c85 h LEU 195 Cb 0.57 0.12 0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1c85 h LEU 195 CO -0.47 -0.08 -1.51 -0.26 -0.62 0.00 0.00 178.44 175.50 1c85 h PHE 196 N 0.38 0.81 -0.87 1.25 -1.00 -1.08 -1.99 116.94 114.44 1c85 h PHE 196 Ca 0.69 -0.59 0.20 0.00 2.81 0.00 0.00 57.97 61.08 1c85 h PHE 196 Cb 1.50 -0.03 -0.16 0.00 3.61 0.00 0.00 35.95 40.87 1c85 h PHE 196 CO -0.04 1.53 -0.09 0.87 -1.61 0.00 0.00 178.31 178.97 1c85 h LYS 197 N 0.12 0.03 -0.46 1.51 1.79 -0.01 0.11 116.57 119.66 1c85 h LYS 197 Ca -0.26 -0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.28 1c85 h LYS 197 Cb 2.12 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 32.70 1c85 h LYS 197 CO 0.24 0.02 0.13 0.28 -1.08 0.00 0.00 179.45 179.04 1c85 h VAL 198 N 0.03 0.80 -0.16 0.50 2.07 -1.12 -2.92 116.25 115.44 1c85 h VAL 198 Ca 0.46 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.85 1c85 h VAL 198 Cb 0.81 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1c85 h VAL 198 CO -0.84 0.05 -0.05 0.03 0.02 0.00 0.00 177.57 176.78 1c85 h ARG 199 N 0.28 0.32 -0.94 1.57 3.08 -0.06 -3.08 114.38 115.56 1c85 h ARG 199 Ca 0.22 -0.13 0.21 0.00 0.07 0.00 0.00 59.98 60.35 1c85 h ARG 199 Cb 0.26 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1c85 h ARG 199 CO -0.26 0.62 0.61 0.93 -1.07 0.00 0.00 179.97 180.80 1c85 h GLU 200 N 0.02 0.42 0.00 0.04 4.39 -1.23 -2.50 114.58 115.72 1c85 h GLU 200 Ca 0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1c85 h GLU 200 Cb 0.51 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1c85 h GLU 200 CO 0.02 0.28 0.00 -1.13 -1.16 0.00 0.00 179.01 177.02 1c85 n SER 201 N -4.54 0.00 0.00 1.42 3.41 -1.11 -4.88 113.62 107.92 1c85 n SER 201 Ca 0.21 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1c85 n SER 201 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1c85 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c85 n GLY 202 N 0.69 2.29 0.37 5.00 0.00 -0.94 -4.91 105.19 107.69 1c85 n GLY 202 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 1c85 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1c85 h SER 203 N 0.00 1.00 -0.67 1.61 0.02 -1.77 -2.52 113.55 111.22 1c85 h SER 203 Ca 0.00 0.01 -0.39 0.00 -0.84 0.00 0.00 61.79 60.57 1c85 h SER 203 Cb 0.00 -0.20 -0.20 0.00 0.14 0.00 0.00 62.40 62.14 1c85 h SER 203 CO 0.00 0.63 0.51 0.18 -1.14 0.00 0.00 176.83 177.00 1c85 n LEU 204 N -4.51 6.14 -4.77 5.07 4.77 -1.26 -4.44 117.00 118.01 1c85 n LEU 204 Ca 0.15 -3.25 -0.22 0.00 -0.03 0.00 0.00 56.01 52.67 1c85 n LEU 204 Cb 0.20 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.38 1c85 n LEU 204 CO 0.32 1.07 -0.20 -0.44 -1.33 0.00 0.00 177.39 176.81 1c85 s SER 205 N -0.54 5.13 0.00 -1.43 0.01 -0.95 -5.01 113.70 110.90 1c85 s SER 205 Ca 0.40 -0.45 0.26 0.00 1.31 0.00 0.00 55.95 57.47 1c85 s SER 205 Cb 0.33 -1.11 0.72 0.00 0.21 0.00 0.00 66.02 66.17 1c85 s SER 205 CO 0.04 -0.10 1.55 -0.81 0.41 0.00 0.00 173.24 174.33 1c85 n PRO 206 N -1.13 0.34 0.00 12.44 -0.04 -1.26 -2.26 135.00 143.09 1c85 n PRO 206 Ca -0.06 -0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.28 1c85 n PRO 206 Cb 0.59 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.83 1c85 n PRO 206 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1c85 n GLU 207 N -1.17 0.01 -4.41 0.54 0.00 -1.26 -4.74 120.64 109.61 1c85 n GLU 207 Ca 0.09 0.27 -0.25 0.00 0.00 0.00 0.00 57.16 57.27 1c85 n GLU 207 Cb 0.33 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.18 1c85 n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1c85 s HIS 208 N -2.97 2.41 1.16 -1.84 3.76 -0.96 -5.14 115.29 111.71 1c85 s HIS 208 Ca 0.07 -0.30 -0.14 0.00 -0.15 0.00 0.00 55.06 54.53 1c85 s HIS 208 Cb 0.09 -1.09 0.27 0.00 1.11 0.00 0.00 32.58 32.96 1c85 s HIS 208 CO 0.24 0.64 1.04 0.20 -0.85 0.00 0.00 174.74 176.01 1c85 s GLY 209 N -3.33 1.53 0.30 -2.22 0.00 0.43 -4.82 107.32 99.21 1c85 s GLY 209 Ca 0.28 -0.36 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 1c85 s GLY 209 CO 0.15 0.38 1.39 -1.05 0.00 0.00 0.00 173.10 173.98 1c85 n PRO 210 N -4.81 2.22 -1.65 2.90 -0.02 -1.26 -4.23 135.00 128.15 1c85 n PRO 210 Ca 0.05 0.79 -0.49 0.00 -2.02 0.00 0.00 63.50 61.82 1c85 n PRO 210 Cb 0.56 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1c85 n PRO 210 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1c85 n VAL 211 N 1.19 0.14 -2.56 -1.45 3.14 -1.26 -4.60 118.33 112.93 1c85 n VAL 211 Ca 0.07 -0.03 -0.42 0.00 -2.96 0.00 0.00 64.34 61.01 1c85 n VAL 211 Cb 0.35 -1.38 -0.03 0.00 -1.06 0.00 0.00 33.84 31.72 1c85 n VAL 211 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1c85 s VAL 212 N 1.67 4.47 -0.16 1.55 1.01 -0.88 -0.47 120.40 127.59 1c85 s VAL 212 Ca 0.85 1.77 0.01 0.00 0.00 0.00 0.00 61.98 64.61 1c85 s VAL 212 Cb -0.79 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 31.45 1c85 s VAL 212 CO 0.46 0.01 -0.17 -0.69 0.00 0.00 0.00 175.10 174.70 1c85 s VAL 213 N 2.05 2.40 0.01 2.92 1.01 0.19 -0.54 120.40 128.44 1c85 s VAL 213 Ca 0.53 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1c85 s VAL 213 Cb -0.22 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1c85 s VAL 213 CO 0.21 0.52 0.03 -1.38 0.00 0.00 0.00 175.10 174.48 1c85 s HIS 214 N 1.02 0.16 0.00 5.22 -3.43 -0.42 -1.13 115.29 116.71 1c85 s HIS 214 Ca -0.02 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 53.90 1c85 s HIS 214 Cb -0.15 -0.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.88 1c85 s HIS 214 CO -0.05 -0.21 0.00 0.00 -2.00 0.00 0.00 174.74 172.48 1c85 h SER 216 N 0.00 0.20 0.00 0.00 0.87 -1.88 -1.46 113.55 111.28 1c85 h SER 216 Ca 0.00 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.05 1c85 h SER 216 Cb 0.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1c85 h SER 216 CO 0.00 0.60 -1.98 0.00 -0.53 0.00 0.00 176.83 174.92 1c85 n ALA 217 N -2.36 2.49 -0.68 6.23 0.00 -1.26 0.15 120.51 125.07 1c85 n ALA 217 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1c85 n ALA 217 Cb 0.28 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1c85 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c85 n GLY 218 N 1.48 0.83 1.90 0.00 0.00 -1.11 -3.45 105.19 104.84 1c85 n GLY 218 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1c85 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1c85 n ILE 219 N -2.52 0.07 0.00 -0.61 -5.35 -1.26 -4.59 119.36 105.09 1c85 n ILE 219 Ca 0.00 0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1c85 n ILE 219 Cb 0.08 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.38 1c85 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c85 n GLY 220 N 1.68 -1.46 0.37 3.28 0.00 -1.26 -0.68 105.19 107.13 1c85 n GLY 220 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1c85 n GLY 220 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c85 n ARG 221 N -0.54 -0.26 -0.09 1.61 1.74 -1.26 -1.12 116.66 116.73 1c85 n ARG 221 Ca 0.00 1.46 -0.10 0.00 -0.77 0.00 0.00 57.85 58.45 1c85 n ARG 221 Cb 0.00 -2.17 -0.02 0.00 -1.02 0.00 0.00 32.46 29.25 1c85 n ARG 221 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1c85 h SER 222 N 0.00 0.39 -0.78 0.55 0.02 -1.89 -1.42 113.55 110.42 1c85 h SER 222 Ca 0.29 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1c85 h SER 222 Cb 0.53 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 1c85 h SER 222 CO -0.94 0.39 0.51 1.23 -1.14 0.00 0.00 176.83 176.88 1c85 h GLY 223 N 0.36 1.01 0.99 -3.77 0.00 -0.87 -1.08 103.07 99.71 1c85 h GLY 223 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1c85 h GLY 223 CO -0.01 0.18 0.30 -0.84 0.00 0.00 0.00 176.54 176.17 1c85 h THR 224 N 0.72 1.18 0.69 4.70 2.02 -0.29 0.12 112.91 122.05 1c85 h THR 224 Ca 0.36 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1c85 h THR 224 Cb 0.42 0.48 0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1c85 h THR 224 CO -0.13 0.19 -0.33 0.15 0.37 0.00 0.00 175.52 175.77 1c85 h PHE 225 N 0.73 -0.86 -0.71 3.16 3.57 -1.07 -2.91 116.94 118.85 1c85 h PHE 225 Ca 0.19 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.72 1c85 h PHE 225 Cb 0.03 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1c85 h PHE 225 CO -0.02 -0.51 0.47 0.00 -2.23 0.00 0.00 178.31 176.02 1c85 h LEU 227 N 0.79 -0.24 -0.86 0.00 5.85 -0.77 -0.60 115.31 119.48 1c85 h LEU 227 Ca 0.30 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.05 1c85 h LEU 227 Cb 0.18 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 1c85 h LEU 227 CO -0.09 -0.08 0.49 0.00 -0.34 0.00 0.00 178.44 178.42 1c85 h ALA 228 N 0.37 1.25 0.28 1.25 0.00 -1.29 -0.62 119.26 120.50 1c85 h ALA 228 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1c85 h ALA 228 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1c85 h ALA 228 CO 0.05 0.08 -0.13 0.22 0.00 0.00 0.00 179.25 179.47 1c85 h ASP 229 N 0.79 -0.31 -0.79 0.00 3.58 -0.84 -1.02 116.42 117.83 1c85 h ASP 229 Ca 0.43 -0.20 0.10 0.00 0.42 0.00 0.00 57.03 57.78 1c85 h ASP 229 Cb 0.44 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.52 1c85 h ASP 229 CO -0.27 0.06 0.52 0.74 -2.88 0.00 0.00 179.24 177.41 1c85 h THR 230 N -0.73 0.93 -0.34 2.25 2.02 -1.13 0.33 112.91 116.24 1c85 h THR 230 Ca -0.04 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1c85 h THR 230 Cb 0.49 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1c85 h THR 230 CO 0.06 0.13 -0.10 0.00 0.37 0.00 0.00 175.52 175.98 1c85 h LEU 232 N 0.45 0.55 -0.79 0.00 3.38 -0.57 -1.80 115.31 116.53 1c85 h LEU 232 Ca 0.08 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1c85 h LEU 232 Cb 0.61 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1c85 h LEU 232 CO 0.04 0.39 0.44 0.25 0.09 0.00 0.00 178.44 179.65 1c85 h LEU 233 N 0.65 0.99 0.57 1.67 5.85 -0.12 0.02 115.31 124.94 1c85 h LEU 233 Ca 0.18 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1c85 h LEU 233 Cb -0.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1c85 h LEU 233 CO -0.04 0.80 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.37 1c85 h LEU 234 N 1.10 -1.11 -1.66 2.25 3.38 -0.79 -2.53 115.31 115.95 1c85 h LEU 234 Ca 0.28 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.46 1c85 h LEU 234 Cb 0.03 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1c85 h LEU 234 CO -0.05 -0.62 0.45 0.00 0.09 0.00 0.00 178.44 178.31 1c85 h MET 235 N -0.97 0.34 -0.02 1.13 -0.00 -1.12 -2.85 114.93 111.44 1c85 h MET 235 Ca -0.07 -0.02 0.02 0.00 -0.00 0.00 0.00 59.70 59.64 1c85 h MET 235 Cb 0.81 -0.08 -0.03 0.00 -0.00 0.00 0.00 31.60 32.30 1c85 h MET 235 CO 0.02 0.22 -0.14 0.22 -0.00 0.00 0.00 176.91 177.24 1c85 h ASP 236 N 0.35 -0.40 -0.89 -0.10 1.82 -0.63 1.36 116.42 117.92 1c85 h ASP 236 Ca 0.32 0.06 0.08 0.00 -0.39 0.00 0.00 57.03 57.11 1c85 h ASP 236 Cb 0.78 0.18 -0.06 0.00 0.68 0.00 0.00 39.33 40.90 1c85 h ASP 236 CO -0.09 -0.19 0.58 0.07 -1.61 0.00 0.00 179.24 178.00 1c85 h LYS 237 N -0.22 0.92 0.00 0.28 2.10 -1.21 -3.02 116.57 115.42 1c85 h LYS 237 Ca 0.05 -0.06 -0.21 0.00 -2.00 0.00 0.00 60.65 58.43 1c85 h LYS 237 Cb 0.29 -0.21 -0.04 0.00 -0.90 0.00 0.00 32.23 31.38 1c85 h LYS 237 CO -0.15 0.61 -1.70 2.89 -2.00 0.00 0.00 179.45 179.10 1c85 n ARG 238 N -4.51 0.64 -3.58 0.07 1.85 -0.93 -4.94 116.66 105.25 1c85 n ARG 238 Ca 0.14 0.16 -0.22 0.00 -1.00 0.00 0.00 57.85 56.93 1c85 n ARG 238 Cb 0.25 -1.73 0.08 0.00 -1.05 0.00 0.00 32.46 30.01 1c85 n ARG 238 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1c85 n LYS 239 N -2.84 -7.34 -3.54 2.89 4.76 0.46 -5.00 118.16 107.55 1c85 n LYS 239 Ca -0.15 0.81 -0.28 0.00 -2.87 0.00 0.00 58.31 55.82 1c85 n LYS 239 Cb 0.92 -5.83 -0.11 0.00 -1.84 0.00 0.00 35.03 28.16 1c85 n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1c85 s ASP 240 N -3.64 2.69 0.59 4.39 -1.08 -1.03 -5.00 116.67 113.57 1c85 s ASP 240 Ca 0.41 -2.84 0.29 0.00 -0.52 0.00 0.00 52.55 49.89 1c85 s ASP 240 Cb -0.18 -0.69 1.52 0.00 -1.46 0.00 0.00 42.92 42.10 1c85 s ASP 240 CO 0.74 -0.22 1.96 1.55 0.52 0.00 0.00 175.17 179.72 1c85 h PRO 241 N 6.19 0.00 0.00 4.34 0.13 -1.95 -2.59 132.00 138.13 1c85 h PRO 241 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1c85 h PRO 241 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1c85 h PRO 241 CO 0.41 0.00 -0.76 0.43 -0.23 0.00 0.00 178.00 177.84 1c85 n SER 242 N -3.77 0.70 0.25 1.44 7.64 -1.26 -1.04 113.62 117.58 1c85 n SER 242 Ca 0.07 -0.53 0.17 0.00 1.01 0.00 0.00 58.87 59.59 1c85 n SER 242 Cb 0.57 0.61 0.73 0.00 -1.01 0.00 0.00 64.21 65.12 1c85 n SER 242 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1c85 h SER 243 N 0.00 0.00 -3.18 6.43 4.64 -1.90 -3.44 113.55 116.10 1c85 h SER 243 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 1c85 h SER 243 Cb 0.53 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 1c85 h SER 243 CO 0.00 0.00 0.64 -0.69 -0.87 0.00 0.00 176.83 175.91 1c85 s VAL 244 N -3.67 4.76 -0.43 0.95 1.01 -0.21 -5.02 120.40 117.78 1c85 s VAL 244 Ca 0.01 1.84 -0.13 0.00 0.00 0.00 0.00 61.98 63.70 1c85 s VAL 244 Cb 0.10 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.30 1c85 s VAL 244 CO 0.47 -0.11 0.32 -0.62 0.00 0.00 0.00 175.10 175.16 1c85 s ASP 245 N 1.24 5.94 0.06 3.32 -1.08 -1.26 -4.72 116.67 120.17 1c85 s ASP 245 Ca 0.41 -1.25 -0.25 0.00 -0.52 0.00 0.00 52.55 50.94 1c85 s ASP 245 Cb -0.15 -2.10 -0.17 0.00 -1.46 0.00 0.00 42.92 39.04 1c85 s ASP 245 CO 0.08 -0.55 1.59 0.40 0.52 0.00 0.00 175.17 177.21 1c85 h ILE 246 N 5.84 0.99 -0.86 4.11 2.04 -1.98 0.95 117.51 128.60 1c85 h ILE 246 Ca -0.26 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1c85 h ILE 246 Cb 1.10 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 1c85 h ILE 246 CO 0.79 0.07 0.46 0.11 0.00 0.00 0.00 178.15 179.58 1c85 h LYS 247 N -0.25 1.21 -0.51 2.37 1.57 -1.99 0.27 116.57 119.25 1c85 h LYS 247 Ca -0.01 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1c85 h LYS 247 Cb 0.21 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1c85 h LYS 247 CO 0.02 0.90 0.32 -0.22 -0.57 0.00 0.00 179.45 179.90 1c85 h LYS 248 N 1.21 0.63 -0.59 3.15 3.64 -1.98 -1.01 116.57 121.62 1c85 h LYS 248 Ca 0.30 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.74 1c85 h LYS 248 Cb 0.06 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.66 1c85 h LYS 248 CO -0.05 0.41 0.20 0.28 -2.27 0.00 0.00 179.45 178.03 1c85 h VAL 249 N 0.64 0.75 -0.96 2.00 2.07 0.86 -0.42 116.25 121.19 1c85 h VAL 249 Ca 0.20 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.66 1c85 h VAL 249 Cb -0.03 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 1c85 h VAL 249 CO -0.07 0.07 0.62 0.25 0.02 0.00 0.00 177.57 178.46 1c85 h LEU 250 N 0.36 0.98 -0.31 2.57 5.85 -0.84 0.18 115.31 124.10 1c85 h LEU 250 Ca 0.30 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.84 1c85 h LEU 250 Cb 0.38 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1c85 h LEU 250 CO -0.32 0.62 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.75 1c85 h LEU 251 N 1.11 0.92 -0.60 2.25 3.38 0.23 -0.46 115.31 122.13 1c85 h LEU 251 Ca 0.42 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1c85 h LEU 251 Cb 0.20 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1c85 h LEU 251 CO -0.17 1.30 0.33 0.44 0.09 0.00 0.00 178.44 180.44 1c85 h ASP 252 N 0.62 0.49 -0.76 -0.43 3.32 -0.17 -1.60 116.42 117.88 1c85 h ASP 252 Ca 0.00 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1c85 h ASP 252 Cb 1.19 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 1c85 h ASP 252 CO 0.13 0.32 0.50 0.24 -1.72 0.00 0.00 179.24 178.71 1c85 h MET 253 N 0.62 0.80 -1.03 3.56 2.86 -0.62 -2.74 114.93 118.37 1c85 h MET 253 Ca 0.27 -0.05 0.26 0.00 -2.06 0.00 0.00 59.70 58.12 1c85 h MET 253 Cb 0.15 -0.18 -0.10 0.00 0.06 0.00 0.00 31.60 31.53 1c85 h MET 253 CO -0.17 0.53 0.65 0.07 1.06 0.00 0.00 176.91 179.06 1c85 h ARG 254 N 0.82 0.43 0.00 1.72 0.11 -0.09 0.38 114.38 117.74 1c85 h ARG 254 Ca 0.33 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.37 1c85 h ARG 254 Cb 0.23 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 1c85 h ARG 254 CO -0.11 0.28 -0.03 0.87 0.10 0.00 0.00 179.97 181.09 1c85 h LYS 255 N 0.44 0.00 0.00 0.08 1.57 -1.17 -3.31 116.57 114.18 1c85 h LYS 255 Ca 0.60 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.28 1c85 h LYS 255 Cb 1.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.72 1c85 h LYS 255 CO -0.33 0.03 -1.38 1.19 -0.57 0.00 0.00 179.45 178.39 1c85 n PHE 256 N -3.59 0.00 -3.87 -1.35 3.72 0.11 -4.94 117.46 107.55 1c85 n PHE 256 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1c85 n PHE 256 Cb 0.12 -0.27 -0.13 0.00 -0.94 0.00 0.00 39.48 38.27 1c85 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1c85 s ARG 257 N -2.13 0.12 0.46 -1.08 3.52 -0.14 -4.61 118.95 115.09 1c85 s ARG 257 Ca -0.04 -0.06 -0.24 0.00 -0.13 0.00 0.00 55.73 55.26 1c85 s ARG 257 Cb 0.02 0.05 -0.08 0.00 -1.56 0.00 0.00 34.95 33.37 1c85 s ARG 257 CO 0.20 -0.02 1.27 0.00 -0.81 0.00 0.00 175.30 175.94 1c85 n MET 258 N 2.75 1.82 -0.57 5.12 0.00 -1.26 -4.21 117.12 120.77 1c85 n MET 258 Ca -0.14 0.66 0.00 0.00 0.00 0.00 0.00 57.70 58.21 1c85 n MET 258 Cb 0.59 -2.41 0.00 0.00 0.00 0.00 0.00 33.22 31.40 1c85 n MET 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1c85 n GLY 259 N 0.83 1.75 3.23 3.17 0.00 -1.26 -4.83 105.19 108.08 1c85 n GLY 259 Ca 0.08 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.52 1c85 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c85 n LEU 260 N 0.00 0.71 -1.45 0.99 4.77 -1.26 -3.69 117.00 117.07 1c85 n LEU 260 Ca 0.00 0.64 -0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1c85 n LEU 260 Cb 0.00 -0.89 -0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1c85 n LEU 260 CO 0.00 -0.76 -0.14 -0.38 -1.33 0.00 0.00 177.39 174.79 1c85 n ILE 261 N 6.50 -5.03 0.12 -0.08 5.41 0.15 -4.92 119.36 121.50 1c85 n ILE 261 Ca 0.55 0.77 0.01 0.00 1.00 0.00 0.00 62.75 65.08 1c85 n ILE 261 Cb -0.03 -3.91 -0.00 0.00 -0.71 0.00 0.00 39.64 34.98 1c85 n ILE 261 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1c85 h GLN 262 N 1.05 0.00 -4.51 0.38 1.08 -1.76 -3.46 115.11 107.89 1c85 h GLN 262 Ca -0.04 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.94 1c85 h GLN 262 Cb 0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.37 1c85 h GLN 262 CO 0.00 0.50 -0.60 0.95 -0.95 0.00 0.00 178.83 178.73 1c85 s THR 263 N -2.94 0.02 -0.15 -0.54 -4.23 -1.26 -5.06 115.64 101.49 1c85 s THR 263 Ca 0.03 -1.95 0.15 0.00 -1.18 0.00 0.00 61.69 58.74 1c85 s THR 263 Cb 0.08 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.57 1c85 s THR 263 CO 0.76 -0.10 1.35 0.00 -0.54 0.00 0.00 174.62 176.09 1c85 h ALA 264 N 2.65 0.66 -0.15 3.99 0.00 -1.93 -1.82 119.26 122.66 1c85 h ALA 264 Ca -0.35 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 53.84 1c85 h ALA 264 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1c85 h ALA 264 CO 0.53 0.67 -0.72 0.22 0.00 0.00 0.00 179.25 179.95 1c85 h ASP 265 N 0.00 0.80 -0.74 0.00 3.58 -1.96 0.97 116.42 119.06 1c85 h ASP 265 Ca -0.03 -0.50 0.13 0.00 0.42 0.00 0.00 57.03 57.05 1c85 h ASP 265 Cb 1.41 -0.23 -0.09 0.00 1.72 0.00 0.00 39.33 42.14 1c85 h ASP 265 CO 0.06 1.28 0.32 1.56 -2.88 0.00 0.00 179.24 179.58 1c85 h GLN 266 N 0.48 0.48 -0.81 0.28 4.20 -1.83 0.58 115.11 118.49 1c85 h GLN 266 Ca -0.03 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1c85 h GLN 266 Cb 1.32 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 1c85 h GLN 266 CO 0.14 0.31 0.34 1.25 -0.67 0.00 0.00 178.83 180.21 1c85 h LEU 267 N 0.49 1.10 -0.43 1.46 5.85 -0.98 -0.03 115.31 122.78 1c85 h LEU 267 Ca 0.40 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 1c85 h LEU 267 Cb 0.55 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1c85 h LEU 267 CO -0.36 0.96 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.47 1c85 h ARG 268 N 1.17 0.86 -1.00 1.25 2.43 0.59 -2.34 114.38 117.34 1c85 h ARG 268 Ca 0.27 -0.35 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1c85 h ARG 268 Cb 0.19 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 1c85 h ARG 268 CO -0.03 0.99 0.66 0.35 -1.51 0.00 0.00 179.97 180.43 1c85 h PHE 269 N 0.68 1.25 -0.55 2.20 3.57 0.42 -1.98 116.94 122.54 1c85 h PHE 269 Ca 0.10 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1c85 h PHE 269 Cb 0.69 -0.42 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1c85 h PHE 269 CO 0.05 0.77 0.24 0.77 -2.23 0.00 0.00 178.31 177.91 1c85 h SER 270 N 1.33 0.29 -0.01 0.41 0.02 -0.46 0.27 113.55 115.40 1c85 h SER 270 Ca 0.38 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.41 1c85 h SER 270 Cb -0.11 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 1c85 h SER 270 CO -0.09 0.19 -0.28 1.88 -1.14 0.00 0.00 176.83 177.39 1c85 h TYR 271 N 0.45 -0.76 -0.37 3.45 -1.99 -1.22 -1.54 116.97 114.99 1c85 h TYR 271 Ca 0.26 0.03 0.08 0.00 2.00 0.00 0.00 58.73 61.09 1c85 h TYR 271 Cb 0.25 0.34 -0.09 0.00 2.00 0.00 0.00 36.73 39.22 1c85 h TYR 271 CO -0.14 -0.37 -0.30 -0.07 -0.00 0.00 0.00 178.16 177.28 1c85 h LEU 272 N -0.42 -1.01 0.05 3.88 3.38 -0.69 0.25 115.31 120.74 1c85 h LEU 272 Ca 0.06 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.23 1c85 h LEU 272 Cb 0.51 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 1c85 h LEU 272 CO -0.25 -0.31 -0.45 0.00 0.09 0.00 0.00 178.44 177.52 1c85 h ALA 273 N 0.78 -0.90 -0.77 1.53 0.00 -0.42 0.09 119.26 119.57 1c85 h ALA 273 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1c85 h ALA 273 Cb 0.52 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1c85 h ALA 273 CO -0.51 -1.03 0.29 0.28 0.00 0.00 0.00 179.25 178.28 1c85 h VAL 274 N -0.60 1.26 -0.69 0.00 2.07 -0.99 0.34 116.25 117.64 1c85 h VAL 274 Ca 0.00 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1c85 h VAL 274 Cb 0.62 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1c85 h VAL 274 CO -0.27 0.34 0.45 0.40 0.02 0.00 0.00 177.57 178.50 1c85 h ILE 275 N 1.12 1.14 0.00 4.57 2.04 -0.46 -0.98 117.51 124.94 1c85 h ILE 275 Ca 0.25 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1c85 h ILE 275 Cb 0.24 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1c85 h ILE 275 CO -0.02 0.16 -0.00 -0.08 0.00 0.00 0.00 178.15 178.22 1c85 h GLU 276 N 0.90 -0.00 0.00 2.37 4.57 -0.28 -2.93 114.58 119.21 1c85 h GLU 276 Ca 0.26 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1c85 h GLU 276 Cb -0.06 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1c85 h GLU 276 CO -0.08 0.21 -0.07 0.78 -1.18 0.00 0.00 179.01 178.66 1c85 h GLY 277 N -0.21 0.00 1.21 1.92 0.00 -0.99 -1.74 103.07 103.25 1c85 h GLY 277 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 1c85 h GLY 277 CO 0.00 0.00 0.30 0.00 0.00 0.00 0.00 176.54 176.84 1c85 h ALA 278 N 1.93 2.18 -0.13 3.60 0.00 -0.97 -1.04 119.26 124.82 1c85 h ALA 278 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1c85 h ALA 278 Cb 0.18 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1c85 h ALA 278 CO 0.01 -0.48 -0.39 0.87 0.00 0.00 0.00 179.25 179.26 1c85 h LYS 279 N 0.00 -0.45 0.62 0.00 1.57 -1.43 0.42 116.57 117.30 1c85 h LYS 279 Ca 0.17 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1c85 h LYS 279 Cb 0.76 0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.18 1c85 h LYS 279 CO -0.00 -0.30 -0.30 0.35 -0.57 0.00 0.00 179.45 178.63 1c85 h PHE 280 N -0.47 -0.77 -0.88 -1.35 3.04 -1.54 -1.67 116.94 113.30 1c85 h PHE 280 Ca 0.08 -0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.13 1c85 h PHE 280 Cb 0.61 0.25 -0.07 0.00 2.56 0.00 0.00 35.95 39.30 1c85 h PHE 280 CO -0.46 -0.45 0.57 0.82 -2.02 0.00 0.00 178.31 176.77 1c85 h ILE 281 N -0.92 0.90 0.00 1.41 5.03 -0.72 -0.50 117.51 122.71 1c85 h ILE 281 Ca -0.08 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1c85 h ILE 281 Cb 0.67 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.51 1c85 h ILE 281 CO 0.14 0.14 0.00 0.23 -0.68 0.00 0.00 178.15 177.98 1c85 n MET 282 N -4.55 0.96 -0.90 2.37 2.81 0.14 -4.83 117.12 113.13 1c85 n MET 282 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1c85 n MET 282 Cb 0.39 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 1c85 n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1c85 n GLY 283 N 0.86 0.88 3.27 3.03 0.00 -0.20 -4.95 105.19 108.08 1c85 n GLY 283 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1c85 n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c85 n ASP 284 N 0.00 5.17 0.00 1.61 2.03 -0.65 -4.76 116.55 119.95 1c85 n ASP 284 Ca 0.00 -3.02 0.07 0.00 0.52 0.00 0.00 54.79 52.36 1c85 n ASP 284 Cb 0.00 -1.54 0.38 0.00 -0.72 0.00 0.00 41.12 39.24 1c85 n ASP 284 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1c85 n SER 285 N 5.09 0.00 0.20 1.67 7.64 -1.26 -2.25 113.62 124.71 1c85 n SER 285 Ca 0.38 -0.05 0.14 0.00 1.01 0.00 0.00 58.87 60.35 1c85 n SER 285 Cb 0.41 -0.22 0.50 0.00 -1.01 0.00 0.00 64.21 63.88 1c85 n SER 285 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1c85 h SER 286 N 0.00 0.00 0.23 6.43 4.64 -1.96 -2.94 113.55 119.94 1c85 h SER 286 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1c85 h SER 286 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1c85 h SER 286 CO 0.00 0.00 -0.26 1.62 -0.87 0.00 0.00 176.83 177.32 1c85 h VAL 287 N 0.00 1.20 -0.93 0.95 3.04 -1.85 -2.92 116.25 115.75 1c85 h VAL 287 Ca 0.00 -0.95 0.16 0.00 -1.01 0.00 0.00 66.70 64.90 1c85 h VAL 287 Cb 0.60 1.47 -0.08 0.00 -2.01 0.00 0.00 31.29 31.26 1c85 h VAL 287 CO 0.00 0.28 0.59 -0.61 -1.01 0.00 0.00 177.57 176.82 1c85 h GLN 288 N 0.06 0.68 0.00 4.17 4.15 -1.73 0.66 115.11 123.09 1c85 h GLN 288 Ca 0.01 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.21 1c85 h GLN 288 Cb 0.49 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 1c85 h GLN 288 CO 0.03 0.45 -0.91 -0.44 -1.93 0.00 0.00 178.83 176.03 1c85 h ASP 289 N 0.70 0.00 -0.93 -0.69 3.32 -1.73 -2.94 116.42 114.14 1c85 h ASP 289 Ca 0.48 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.64 1c85 h ASP 289 Cb 0.80 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.27 1c85 h ASP 289 CO -0.24 0.78 0.56 1.56 -1.72 0.00 0.00 179.24 180.18 1c85 h GLN 290 N 0.00 0.88 -0.60 3.56 4.20 -1.03 0.45 115.11 122.57 1c85 h GLN 290 Ca -0.04 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.66 1c85 h GLN 290 Cb 1.63 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 29.17 1c85 h GLN 290 CO 0.09 0.58 0.33 -1.49 -0.67 0.00 0.00 178.83 177.68 1c85 h TRP 291 N 0.91 0.61 -0.73 2.96 6.55 -0.94 -1.32 115.95 123.99 1c85 h TRP 291 Ca 0.46 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 60.29 1c85 h TRP 291 Cb 0.44 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.52 1c85 h TRP 291 CO -0.03 0.31 0.33 -0.22 -1.05 0.00 0.00 178.44 177.78 1c85 h LYS 292 N 0.64 1.07 0.16 0.49 3.64 -0.95 -0.28 116.57 121.33 1c85 h LYS 292 Ca 0.26 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1c85 h LYS 292 Cb 0.12 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1c85 h LYS 292 CO -0.15 0.85 -0.12 0.93 -2.27 0.00 0.00 179.45 178.69 1c85 h GLU 293 N 1.03 -0.26 -1.22 1.90 4.39 -0.84 -2.97 114.58 116.61 1c85 h GLU 293 Ca 0.25 0.02 0.35 0.00 0.34 0.00 0.00 59.36 60.32 1c85 h GLU 293 Cb 0.15 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 1c85 h GLU 293 CO -0.03 -0.18 0.89 -0.07 -1.16 0.00 0.00 179.01 178.46 1c85 h LEU 294 N -0.27 0.00 -0.45 1.33 3.38 -1.26 0.24 115.31 118.28 1c85 h LEU 294 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1c85 h LEU 294 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1c85 h LEU 294 CO 0.01 0.00 -0.74 -1.28 0.09 0.00 0.00 178.44 176.51 1c85 h SER 295 N 0.00 0.30 -3.59 -0.43 0.87 -0.90 -3.47 113.55 106.33 1c85 h SER 295 Ca 0.58 -0.21 -0.23 0.00 -1.23 0.00 0.00 61.79 60.71 1c85 h SER 295 Cb 2.35 -0.09 0.07 0.00 -0.44 0.00 0.00 62.40 64.29 1c85 h SER 295 CO -0.01 0.94 -0.38 1.41 -0.53 0.00 0.00 176.83 178.26 1c85 n HIS 296 N -3.77 -1.56 0.23 2.24 8.25 0.85 -4.92 115.22 116.53 1c85 n HIS 296 Ca -0.03 0.53 0.18 0.00 -0.26 0.00 0.00 57.72 58.13 1c85 n HIS 296 Cb 0.71 -3.26 0.80 0.00 1.12 0.00 0.00 29.99 29.37 1c85 n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1c85 h GLU 297 N -1.41 0.00 -0.03 -0.41 4.11 -1.81 -3.41 114.58 111.62 1c85 h GLU 297 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1c85 h GLU 297 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1c85 h GLU 297 CO 0.32 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.15