#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i80 h MET 3 N 0.00 1.02 0.06 3.49 2.86 -1.87 -2.82 114.93 117.67 3i80 h MET 3 Ca 0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 3i80 h MET 3 Cb 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3i80 h MET 3 CO 0.00 1.01 -0.06 0.93 1.06 0.00 0.00 176.91 179.85 3i80 h GLU 4 N 0.90 -0.13 -0.27 1.72 5.08 -1.98 0.58 114.58 120.49 3i80 h GLU 4 Ca 0.16 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3i80 h GLU 4 Cb 0.55 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3i80 h GLU 4 CO 0.03 -0.08 0.12 0.87 -1.00 0.00 0.00 179.01 178.95 3i80 h LYS 5 N -0.13 0.25 -0.49 2.33 1.79 -2.00 -0.69 116.57 117.63 3i80 h LYS 5 Ca 0.00 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 3i80 h LYS 5 Cb 0.13 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3i80 h LYS 5 CO -0.02 0.17 0.15 1.49 -1.08 0.00 0.00 179.45 180.16 3i80 h GLU 6 N 0.26 0.77 -0.88 3.15 4.81 -1.36 -1.84 114.58 119.50 3i80 h GLU 6 Ca 0.11 -0.17 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 3i80 h GLU 6 Cb 0.05 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 3i80 h GLU 6 CO -0.09 0.72 0.55 0.35 -0.73 0.00 0.00 179.01 179.81 3i80 h PHE 7 N 0.66 1.02 0.00 0.92 3.57 0.72 -0.70 116.94 123.13 3i80 h PHE 7 Ca 0.16 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3i80 h PHE 7 Cb 0.28 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3i80 h PHE 7 CO 0.02 0.52 -0.63 0.93 -2.23 0.00 0.00 178.31 176.91 3i80 h GLU 8 N 1.00 0.00 -0.21 1.11 5.08 -0.98 -1.13 114.58 119.45 3i80 h GLU 8 Ca 0.38 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.69 3i80 h GLU 8 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3i80 h GLU 8 CO -0.17 0.63 -0.06 0.37 -1.00 0.00 0.00 179.01 178.78 3i80 h GLN 9 N 0.00 0.41 -0.55 2.33 -0.00 -0.62 0.48 115.11 117.15 3i80 h GLN 9 Ca -0.01 -0.16 -0.06 0.00 -0.00 0.00 0.00 58.65 58.42 3i80 h GLN 9 Cb 1.35 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.79 3i80 h GLN 9 CO 0.08 0.67 0.09 0.82 0.00 0.00 0.00 178.83 180.49 3i80 h ILE 10 N 0.13 1.24 -0.26 2.39 2.04 -1.13 -2.93 117.51 118.99 3i80 h ILE 10 Ca 0.05 -0.92 -0.19 0.00 1.00 0.00 0.00 64.86 64.80 3i80 h ILE 10 Cb 0.52 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3i80 h ILE 10 CO 0.02 0.34 -0.57 -0.78 0.00 0.00 0.00 178.15 177.16 3i80 h ASP 11 N 0.83 0.91 0.21 1.72 3.58 -1.07 -0.72 116.42 121.88 3i80 h ASP 11 Ca 0.17 -0.50 -0.11 0.00 0.42 0.00 0.00 57.03 57.01 3i80 h ASP 11 Cb 0.37 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 3i80 h ASP 11 CO 0.01 1.29 -0.42 0.07 -2.88 0.00 0.00 179.24 177.30 3i80 h LYS 12 N 0.62 0.28 0.00 0.28 2.10 -0.83 -2.92 116.57 116.09 3i80 h LYS 12 Ca 0.01 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 3i80 h LYS 12 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3i80 h LYS 12 CO 0.12 0.66 -0.89 -1.13 -2.00 0.00 0.00 179.45 176.21 3i80 n SER 13 N -4.01 0.66 -2.69 7.07 3.41 -1.11 -5.00 113.62 111.95 3i80 n SER 13 Ca -0.02 -0.40 -0.11 0.00 -0.26 0.00 0.00 58.87 58.09 3i80 n SER 13 Cb 0.49 0.71 0.05 0.00 -0.26 0.00 0.00 64.21 65.21 3i80 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i80 n GLY 14 N 1.43 -0.36 0.75 5.00 0.00 -0.43 -4.97 105.19 106.60 3i80 n GLY 14 Ca 0.03 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.29 3i80 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i80 n SER 15 N -2.60 3.40 -0.17 1.61 7.64 -0.41 -4.69 113.62 118.40 3i80 n SER 15 Ca -0.11 -2.56 -0.06 0.00 1.01 0.00 0.00 58.87 57.16 3i80 n SER 15 Cb 0.60 -0.39 0.04 0.00 -1.01 0.00 0.00 64.21 63.44 3i80 n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 3i80 h TRP 16 N 1.81 0.57 -0.85 1.43 4.06 -1.94 0.22 115.95 121.26 3i80 h TRP 16 Ca 0.00 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 3i80 h TRP 16 Cb 1.11 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 29.04 3i80 h TRP 16 CO 0.36 0.33 0.45 0.00 -3.56 0.00 0.00 178.44 176.02 3i80 h ALA 17 N 1.22 1.19 -0.05 1.49 0.00 -1.92 0.13 119.26 121.33 3i80 h ALA 17 Ca 0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3i80 h ALA 17 Cb 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3i80 h ALA 17 CO -0.09 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.69 3i80 h ALA 18 N 1.30 0.08 -0.47 0.00 0.00 -1.78 -0.17 119.26 118.21 3i80 h ALA 18 Ca 0.30 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3i80 h ALA 18 Cb 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3i80 h ALA 18 CO -0.05 -0.03 -0.05 0.82 0.00 0.00 0.00 179.25 179.94 3i80 h ILE 19 N -0.37 0.58 -0.52 0.00 1.08 -0.44 -0.05 117.51 117.79 3i80 h ILE 19 Ca -0.00 -0.02 -0.10 0.00 -0.39 0.00 0.00 64.86 64.34 3i80 h ILE 19 Cb 0.73 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 3i80 h ILE 19 CO 0.03 0.01 -0.09 0.22 -0.69 0.00 0.00 178.15 177.63 3i80 h TYR 20 N 0.06 1.06 -0.62 1.37 3.20 -0.73 -2.50 116.97 118.81 3i80 h TYR 20 Ca 0.24 -0.20 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3i80 h TYR 20 Cb 0.36 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3i80 h TYR 20 CO -0.35 0.99 0.13 0.37 -1.64 0.00 0.00 178.16 177.66 3i80 h GLN 21 N 0.86 0.99 -0.94 1.82 5.75 -0.56 -1.69 115.11 121.34 3i80 h GLN 21 Ca 0.14 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3i80 h GLN 21 Cb 0.63 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.99 3i80 h GLN 21 CO 0.04 0.90 0.62 -0.44 -2.65 0.00 0.00 178.83 177.29 3i80 h ASP 22 N 0.94 1.03 -0.50 -0.69 3.45 -0.74 -0.14 116.42 119.78 3i80 h ASP 22 Ca 0.20 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.62 3i80 h ASP 22 Cb 0.37 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 3i80 h ASP 22 CO 0.00 0.72 0.21 0.40 -1.57 0.00 0.00 179.24 179.00 3i80 h ILE 23 N 1.21 1.21 -0.59 0.35 2.04 -0.99 -0.36 117.51 120.38 3i80 h ILE 23 Ca 0.37 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.66 3i80 h ILE 23 Cb -0.03 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 3i80 h ILE 23 CO -0.11 0.25 0.25 0.03 0.00 0.00 0.00 178.15 178.56 3i80 h ARG 24 N 0.67 0.44 -0.48 2.37 3.08 -0.59 -0.84 114.38 119.04 3i80 h ARG 24 Ca 0.17 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 3i80 h ARG 24 Cb 0.19 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3i80 h ARG 24 CO -0.01 0.29 -0.02 1.25 -1.07 0.00 0.00 179.97 180.41 3i80 h HIS 25 N 0.45 0.87 0.00 3.04 2.76 -0.53 -3.08 115.15 118.67 3i80 h HIS 25 Ca 0.29 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3i80 h HIS 25 Cb 0.30 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3i80 h HIS 25 CO -0.14 0.81 -0.39 0.93 -1.30 0.00 0.00 177.93 177.84 3i80 h GLU 26 N 0.75 0.00 -6.92 5.26 5.08 -0.66 -3.48 114.58 114.61 3i80 h GLU 26 Ca 0.14 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.94 3i80 h GLU 26 Cb 0.48 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.90 3i80 h GLU 26 CO 0.02 0.00 0.19 0.00 -1.00 0.00 0.00 179.01 178.22 3i80 n ALA 27 N -1.95 0.26 -1.76 3.43 0.00 -0.36 -4.93 120.51 115.20 3i80 n ALA 27 Ca 0.03 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.03 3i80 n ALA 27 Cb 0.48 -2.15 0.02 0.00 0.00 0.00 0.00 19.45 17.80 3i80 n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i80 s SER 28 N -1.38 5.72 -0.34 0.00 0.01 -1.26 -5.02 113.70 111.43 3i80 s SER 28 Ca 0.77 2.84 0.03 0.00 1.31 0.00 0.00 55.95 60.90 3i80 s SER 28 Cb -0.39 -2.65 0.10 0.00 0.21 0.00 0.00 66.02 63.30 3i80 s SER 28 CO 0.46 -1.27 0.07 -0.62 0.41 0.00 0.00 173.24 172.29 3i80 s ASP 29 N -0.68 4.54 0.27 2.44 2.15 -1.26 -4.93 116.67 119.19 3i80 s ASP 29 Ca 0.64 -2.05 0.09 0.00 0.43 0.00 0.00 52.55 51.65 3i80 s ASP 29 Cb -0.42 -1.41 -0.04 0.00 -0.30 0.00 0.00 42.92 40.75 3i80 s ASP 29 CO 0.53 -0.38 0.06 -0.36 -0.17 0.00 0.00 175.17 174.84 3i80 s PHE 30 N 1.05 2.80 0.43 -5.34 0.08 -1.26 -5.11 117.98 110.63 3i80 s PHE 30 Ca 0.11 -0.20 -0.25 0.00 0.12 0.00 0.00 56.93 56.71 3i80 s PHE 30 Cb -0.19 -1.27 -0.08 0.00 -0.57 0.00 0.00 43.02 40.91 3i80 s PHE 30 CO -0.12 0.58 1.26 -2.14 -0.10 0.00 0.00 175.22 174.69 3i80 s PRO 31 N -3.73 3.83 -0.37 0.24 0.02 -1.26 -4.89 135.00 128.85 3i80 s PRO 31 Ca 0.32 2.03 0.09 0.00 0.02 0.00 0.00 61.00 63.46 3i80 s PRO 31 Cb -0.07 -2.60 0.44 0.00 0.02 0.00 0.00 34.50 32.29 3i80 s PRO 31 CO 0.21 -0.56 1.09 0.00 -0.33 0.00 0.00 177.00 177.42 3i80 h ARG 33 N 2.59 1.21 -0.51 0.00 3.08 -1.93 -2.70 114.38 116.11 3i80 h ARG 33 Ca 0.20 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3i80 h ARG 33 Cb 1.12 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3i80 h ARG 33 CO 0.71 0.80 0.04 0.28 -1.07 0.00 0.00 179.97 180.73 3i80 h VAL 34 N 1.25 1.26 0.00 2.04 2.07 -1.92 -2.64 116.25 118.31 3i80 h VAL 34 Ca 0.39 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3i80 h VAL 34 Cb -0.00 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3i80 h VAL 34 CO -0.12 0.36 -0.10 0.00 0.02 0.00 0.00 177.57 177.73 3i80 h ALA 35 N 0.96 1.45 -0.10 1.67 0.00 -1.77 -2.56 119.26 118.90 3i80 h ALA 35 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i80 h ALA 35 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i80 h ALA 35 CO 0.02 0.13 0.00 1.63 0.00 0.00 0.00 179.25 181.02 3i80 n LYS 36 N -3.87 2.06 -1.94 0.00 4.76 -1.01 -4.65 118.16 113.50 3i80 n LYS 36 Ca -0.02 -1.56 -0.40 0.00 -2.87 0.00 0.00 58.31 53.46 3i80 n LYS 36 Cb 0.20 -1.47 -0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3i80 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3i80 s LEU 37 N -1.85 4.27 0.28 -0.35 1.43 -0.97 -4.90 118.68 116.59 3i80 s LEU 37 Ca 0.34 2.83 0.02 0.00 -1.03 0.00 0.00 54.13 56.29 3i80 s LEU 37 Cb 0.20 -3.79 0.64 0.00 0.03 0.00 0.00 46.19 43.27 3i80 s LEU 37 CO 0.31 -0.86 1.77 -0.65 0.23 0.00 0.00 176.35 177.14 3i80 h PRO 38 N 2.83 0.67 0.00 1.29 0.11 -1.91 -0.95 132.00 134.05 3i80 h PRO 38 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3i80 h PRO 38 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i80 h PRO 38 CO 0.63 0.45 0.00 1.57 -0.21 0.00 0.00 178.00 180.44 3i80 h LYS 39 N 0.69 0.00 -0.53 1.05 2.10 -1.95 -1.94 116.57 115.99 3i80 h LYS 39 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 3i80 h LYS 39 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 3i80 h LYS 39 CO -0.38 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.16 3i80 n ASN 40 N -2.94 3.68 -0.09 7.07 3.02 -0.37 -4.56 115.26 121.07 3i80 n ASN 40 Ca -0.01 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.48 3i80 n ASN 40 Cb 0.17 -0.35 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3i80 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3i80 h LYS 41 N 4.40 0.01 0.00 3.52 3.64 -1.32 0.01 116.57 126.83 3i80 h LYS 41 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i80 h LYS 41 Cb 0.99 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3i80 h LYS 41 CO 0.00 0.01 0.00 0.27 -2.27 0.00 0.00 179.45 177.46 3i80 n ASN 42 N -5.25 0.00 -0.57 4.20 0.23 -1.26 -2.53 115.26 110.08 3i80 n ASN 42 Ca 0.00 -1.78 0.09 0.00 -0.53 0.00 0.00 54.58 52.36 3i80 n ASN 42 Cb 0.18 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 37.91 3i80 n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i80 n ARG 43 N -0.51 1.59 -4.45 -3.83 1.74 -0.01 -4.91 116.66 106.27 3i80 n ARG 43 Ca 0.00 -1.22 -0.34 0.00 -0.77 0.00 0.00 57.85 55.53 3i80 n ARG 43 Cb 0.00 -1.35 -0.13 0.00 -1.02 0.00 0.00 32.46 29.97 3i80 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3i80 s ASN 44 N -1.84 4.54 0.02 0.55 0.01 -1.05 -4.40 114.94 112.77 3i80 s ASN 44 Ca 0.18 -0.21 -0.19 0.00 -0.71 0.00 0.00 52.86 51.93 3i80 s ASN 44 Cb 0.15 -1.73 -0.20 0.00 0.41 0.00 0.00 41.25 39.88 3i80 s ASN 44 CO 0.35 0.15 1.18 -0.09 -1.51 0.00 0.00 177.10 177.18 3i80 h ARG 45 N 6.85 0.44 -6.28 -0.60 2.43 -1.89 -3.45 114.38 111.89 3i80 h ARG 45 Ca -0.31 -0.39 -0.69 0.00 -0.81 0.00 0.00 59.98 57.78 3i80 h ARG 45 Cb 1.19 0.09 -0.29 0.00 -0.42 0.00 0.00 29.97 30.54 3i80 h ARG 45 CO 0.60 1.04 -0.86 0.71 -1.51 0.00 0.00 179.97 179.95 3i80 s TYR 46 N -3.52 2.46 0.35 2.20 2.02 -1.26 -5.03 117.35 114.57 3i80 s TYR 46 Ca -0.13 -0.51 0.04 0.00 -0.37 0.00 0.00 57.07 56.10 3i80 s TYR 46 Cb 0.04 -1.58 0.65 0.00 -0.40 0.00 0.00 41.96 40.68 3i80 s TYR 46 CO 0.81 -0.08 1.93 -0.09 -1.57 0.00 0.00 175.55 176.55 3i80 h ARG 47 N 5.74 0.58 -0.72 -0.62 2.43 -1.99 -3.03 114.38 116.77 3i80 h ARG 47 Ca -0.39 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3i80 h ARG 47 Cb 1.15 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3i80 h ARG 47 CO 0.48 0.52 0.00 -0.40 -1.51 0.00 0.00 179.97 179.06 3i80 n ASP 48 N -4.34 4.01 -3.91 -3.80 5.75 -1.26 -4.77 116.55 108.24 3i80 n ASP 48 Ca 0.02 -2.04 -0.30 0.00 -0.01 0.00 0.00 54.79 52.46 3i80 n ASP 48 Cb 0.18 -0.49 -0.15 0.00 -1.03 0.00 0.00 41.12 39.63 3i80 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i80 s VAL 49 N -1.08 1.57 0.15 2.12 1.01 -1.15 -5.07 120.40 117.95 3i80 s VAL 49 Ca 0.48 -1.60 0.06 0.00 0.00 0.00 0.00 61.98 60.92 3i80 s VAL 49 Cb 0.26 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3i80 s VAL 49 CO 0.32 -0.41 -0.14 -0.44 0.00 0.00 0.00 175.10 174.43 3i80 s SER 50 N 1.31 2.16 0.18 3.32 0.01 -1.26 -4.65 113.70 114.77 3i80 s SER 50 Ca 0.03 -0.88 -0.24 0.00 1.31 0.00 0.00 55.95 56.18 3i80 s SER 50 Cb -0.18 -0.08 -0.08 0.00 0.21 0.00 0.00 66.02 65.88 3i80 s SER 50 CO -0.12 -0.16 0.76 -2.16 0.41 0.00 0.00 173.24 171.98 3i80 s PRO 51 N -2.99 4.48 0.60 12.44 0.04 -1.26 -4.49 135.00 143.82 3i80 s PRO 51 Ca 0.13 1.08 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 3i80 s PRO 51 Cb -0.03 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 3i80 s PRO 51 CO 0.04 0.52 1.24 -0.06 0.04 0.00 0.00 177.00 178.78 3i80 s PHE 52 N -1.26 2.31 0.22 0.56 0.08 -1.26 -4.60 117.98 114.04 3i80 s PHE 52 Ca 0.38 1.49 -0.08 0.00 0.12 0.00 0.00 56.93 58.84 3i80 s PHE 52 Cb -0.21 -3.57 0.22 0.00 -0.57 0.00 0.00 43.02 38.89 3i80 s PHE 52 CO 0.25 -2.45 1.87 -0.44 -0.10 0.00 0.00 175.22 174.34 3i80 h ASP 53 N 0.90 0.85 0.53 1.36 3.32 -1.37 -2.02 116.42 119.99 3i80 h ASP 53 Ca -0.51 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 3i80 h ASP 53 Cb 1.31 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 3i80 h ASP 53 CO 0.55 0.59 -0.16 1.12 -1.72 0.00 0.00 179.24 179.63 3i80 h HIS 54 N 1.01 0.00 -0.01 4.55 2.07 -1.92 -3.15 115.15 117.70 3i80 h HIS 54 Ca 0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 3i80 h HIS 54 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 3i80 h HIS 54 CO -0.03 0.16 0.00 -1.13 -3.07 0.00 0.00 177.93 173.86 3i80 n SER 55 N -3.57 1.71 -4.77 3.10 3.41 -1.15 -5.05 113.62 107.31 3i80 n SER 55 Ca -0.01 -1.67 -0.36 0.00 -0.26 0.00 0.00 58.87 56.57 3i80 n SER 55 Cb 0.30 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 3i80 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i80 s ARG 56 N -0.68 3.32 -0.17 4.33 1.70 -0.77 -0.56 118.95 126.12 3i80 s ARG 56 Ca 0.01 1.74 -0.28 0.00 -0.47 0.00 0.00 55.73 56.73 3i80 s ARG 56 Cb 0.01 -2.08 -0.00 0.00 -0.57 0.00 0.00 34.95 32.30 3i80 s ARG 56 CO 0.01 -0.91 0.99 0.42 -1.08 0.00 0.00 175.30 174.73 3i80 s ILE 57 N -1.64 4.76 -0.16 4.99 -1.09 -0.46 -4.76 121.20 122.83 3i80 s ILE 57 Ca 0.72 1.96 -0.16 0.00 -2.23 0.00 0.00 60.65 60.94 3i80 s ILE 57 Cb -0.28 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.28 3i80 s ILE 57 CO 0.31 -0.07 0.39 -0.54 -1.23 0.00 0.00 174.94 173.80 3i80 s LYS 58 N 2.53 4.25 0.45 2.79 1.02 -1.26 -4.19 119.74 125.33 3i80 s LYS 58 Ca 0.45 0.24 -0.23 0.00 0.02 0.00 0.00 55.97 56.44 3i80 s LYS 58 Cb -0.17 -3.47 -0.08 0.00 -0.52 0.00 0.00 37.83 33.60 3i80 s LYS 58 CO 0.12 0.11 1.16 -0.51 -0.92 0.00 0.00 175.35 175.31 3i80 s LEU 59 N 0.84 4.05 -0.63 3.17 1.43 -0.45 -4.94 118.68 122.15 3i80 s LEU 59 Ca 0.20 2.31 -0.05 0.00 -1.03 0.00 0.00 54.13 55.57 3i80 s LEU 59 Cb -0.14 -4.19 0.04 0.00 0.03 0.00 0.00 46.19 41.93 3i80 s LEU 59 CO 0.07 -0.86 2.77 1.41 0.23 0.00 0.00 176.35 179.97 3i80 n HIS 60 N -0.36 1.69 -4.23 0.29 8.25 -1.26 -4.61 115.22 114.99 3i80 n HIS 60 Ca 0.07 -2.12 -0.21 0.00 -0.26 0.00 0.00 57.72 55.19 3i80 n HIS 60 Cb 0.48 -1.53 -0.12 0.00 1.12 0.00 0.00 29.99 29.94 3i80 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3i80 s GLN 61 N -1.26 0.98 0.14 -0.41 -2.07 -1.26 -5.05 119.66 110.73 3i80 s GLN 61 Ca 0.59 -1.07 0.03 0.00 -1.82 0.00 0.00 55.36 53.09 3i80 s GLN 61 Cb 0.33 -1.11 -0.10 0.00 -1.09 0.00 0.00 33.01 31.04 3i80 s GLN 61 CO -0.17 0.25 1.32 0.93 -1.32 0.00 0.00 175.29 176.30 3i80 h GLU 62 N 4.14 0.13 0.00 9.60 5.08 -2.03 -3.37 114.58 128.13 3i80 h GLU 62 Ca -0.43 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 3i80 h GLU 62 Cb 1.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3i80 h GLU 62 CO 0.40 0.99 0.00 -3.47 -1.00 0.00 0.00 179.01 175.94 3i80 n ASP 63 N -3.54 0.00 -3.37 1.42 2.03 -1.26 -4.77 116.55 107.06 3i80 n ASP 63 Ca -0.03 0.78 -0.11 0.00 0.52 0.00 0.00 54.79 55.95 3i80 n ASP 63 Cb 0.88 -0.28 -0.09 0.00 -0.72 0.00 0.00 41.12 40.91 3i80 n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3i80 s ASN 64 N -2.33 0.43 -0.00 1.67 3.84 -1.26 -5.04 114.94 112.26 3i80 s ASN 64 Ca 0.00 0.12 0.06 0.00 0.21 0.00 0.00 52.86 53.25 3i80 s ASN 64 Cb 0.00 1.00 0.18 0.00 -0.55 0.00 0.00 41.25 41.88 3i80 s ASN 64 CO 0.00 -0.31 1.13 -0.90 -2.79 0.00 0.00 177.10 174.24 3i80 n ASP 65 N 5.36 1.15 -4.72 -4.21 5.68 -1.26 -4.86 116.55 113.68 3i80 n ASP 65 Ca -0.04 -2.01 -0.41 0.00 -0.50 0.00 0.00 54.79 51.83 3i80 n ASP 65 Cb 0.50 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 3i80 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3i80 s TYR 66 N -1.72 3.66 -0.02 2.11 5.04 -1.26 -1.34 117.35 123.82 3i80 s TYR 66 Ca 0.14 1.51 -0.04 0.00 -2.44 0.00 0.00 57.07 56.24 3i80 s TYR 66 Cb 0.07 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.44 3i80 s TYR 66 CO 0.09 0.10 0.10 -1.50 -1.34 0.00 0.00 175.55 173.00 3i80 s ILE 67 N 0.64 0.04 -1.03 3.14 2.07 -1.26 -4.92 121.20 119.87 3i80 s ILE 67 Ca 0.44 -0.32 -0.23 0.00 -1.41 0.00 0.00 60.65 59.13 3i80 s ILE 67 Cb -0.20 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.15 3i80 s ILE 67 CO 0.24 -0.17 1.69 0.21 -1.91 0.00 0.00 174.94 174.99 3i80 s ASN 68 N -0.55 5.98 -0.20 4.50 3.84 -1.26 -4.64 114.94 122.60 3i80 s ASN 68 Ca -0.06 -1.34 -0.25 0.00 0.21 0.00 0.00 52.86 51.42 3i80 s ASN 68 Cb -0.04 -2.57 0.06 0.00 -0.55 0.00 0.00 41.25 38.16 3i80 s ASN 68 CO 0.00 -2.00 0.66 0.00 -2.79 0.00 0.00 177.10 172.97 3i80 s ALA 69 N 7.05 -1.65 0.06 1.71 0.00 -1.26 -3.03 121.76 124.64 3i80 s ALA 69 Ca 0.57 1.72 0.08 0.00 0.00 0.00 0.00 51.96 54.32 3i80 s ALA 69 Cb -0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3i80 s ALA 69 CO -0.03 -0.33 -0.21 -1.12 0.00 0.00 0.00 175.76 174.07 3i80 s SER 70 N -0.01 2.55 -0.32 0.00 0.01 0.30 -1.35 113.70 114.87 3i80 s SER 70 Ca -0.03 -0.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 3i80 s SER 70 Cb -0.04 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 3i80 s SER 70 CO 0.03 0.15 0.45 -0.22 0.41 0.00 0.00 173.24 174.06 3i80 s LEU 71 N -1.35 4.28 -0.46 2.44 2.96 0.28 -1.29 118.68 125.53 3i80 s LEU 71 Ca 0.08 0.05 -0.16 0.00 -0.22 0.00 0.00 54.13 53.87 3i80 s LEU 71 Cb -0.09 -2.51 0.06 0.00 0.50 0.00 0.00 46.19 44.15 3i80 s LEU 71 CO 0.02 -0.37 0.43 -0.63 -1.32 0.00 0.00 176.35 174.49 3i80 s ILE 72 N 2.24 5.15 -0.58 6.68 1.01 0.97 -4.87 121.20 131.80 3i80 s ILE 72 Ca 0.17 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 3i80 s ILE 72 Cb -0.16 -4.12 0.15 0.00 0.01 0.00 0.00 42.46 38.34 3i80 s ILE 72 CO 0.12 -0.57 0.48 -0.75 0.00 0.00 0.00 174.94 174.22 3i80 s LYS 73 N 1.91 2.82 -0.95 2.79 2.20 -1.26 -1.15 119.74 126.09 3i80 s LYS 73 Ca 0.07 -2.02 -0.22 0.00 -0.36 0.00 0.00 55.97 53.44 3i80 s LYS 73 Cb -0.22 -4.07 0.08 0.00 -1.51 0.00 0.00 37.83 32.11 3i80 s LYS 73 CO 0.09 -1.24 1.31 -1.64 -0.36 0.00 0.00 175.35 173.51 3i80 s MET 74 N 0.93 3.54 0.13 4.03 -1.94 -0.53 -4.89 119.30 120.57 3i80 s MET 74 Ca 0.10 -1.26 -0.22 0.00 -1.71 0.00 0.00 55.69 52.60 3i80 s MET 74 Cb -0.23 -5.08 -0.03 0.00 2.01 0.00 0.00 34.83 31.50 3i80 s MET 74 CO -0.02 -2.05 1.67 1.49 -0.01 0.00 0.00 175.02 176.10 3i80 h GLU 75 N 9.49 -0.18 -0.27 2.03 4.81 -1.95 0.22 114.58 128.73 3i80 h GLU 75 Ca 0.13 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3i80 h GLU 75 Cb 1.02 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3i80 h GLU 75 CO 1.30 -0.12 0.01 1.49 -0.73 0.00 0.00 179.01 180.96 3i80 h GLU 76 N -0.19 0.47 0.00 1.92 4.81 -1.96 -2.55 114.58 117.09 3i80 h GLU 76 Ca 0.09 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3i80 h GLU 76 Cb 0.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3i80 h GLU 76 CO -0.22 0.62 0.00 0.00 -0.73 0.00 0.00 179.01 178.68 3i80 h ALA 77 N 0.83 1.00 -5.87 2.92 0.00 -1.90 -3.47 119.26 112.76 3i80 h ALA 77 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.61 3i80 h ALA 77 Cb 0.41 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.31 3i80 h ALA 77 CO 0.01 0.00 -0.81 1.04 0.00 0.00 0.00 179.25 179.50 3i80 n GLN 78 N -2.65 -5.58 -3.88 0.00 6.02 0.77 -4.89 117.38 107.17 3i80 n GLN 78 Ca 0.02 0.73 -0.11 0.00 -0.01 0.00 0.00 57.00 57.63 3i80 n GLN 78 Cb 0.30 -5.50 -0.12 0.00 1.02 0.00 0.00 30.24 25.94 3i80 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3i80 s ARG 79 N -5.65 0.23 0.07 -1.09 3.52 -1.13 -4.97 118.95 109.93 3i80 s ARG 79 Ca 0.02 -0.15 0.09 0.00 -0.13 0.00 0.00 55.73 55.55 3i80 s ARG 79 Cb -0.00 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 3i80 s ARG 79 CO 0.77 -0.04 -0.23 -1.12 -0.81 0.00 0.00 175.30 173.87 3i80 s SER 80 N -0.59 2.82 0.04 -2.12 0.01 -1.26 -1.45 113.70 111.15 3i80 s SER 80 Ca -0.07 -0.62 0.04 0.00 1.31 0.00 0.00 55.95 56.62 3i80 s SER 80 Cb -0.04 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 3i80 s SER 80 CO 0.00 0.16 -0.13 -0.31 0.41 0.00 0.00 173.24 173.38 3i80 s TYR 81 N -0.93 1.11 -0.27 2.43 1.51 -0.30 -3.95 117.35 116.94 3i80 s TYR 81 Ca 0.10 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.69 3i80 s TYR 81 Cb -0.10 -0.65 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 3i80 s TYR 81 CO 0.03 0.02 0.15 0.42 -1.11 0.00 0.00 175.55 175.06 3i80 s ILE 82 N -0.91 4.97 -0.16 2.71 1.01 0.06 -0.02 121.20 128.85 3i80 s ILE 82 Ca -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 3i80 s ILE 82 Cb -0.08 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3i80 s ILE 82 CO 0.01 0.28 0.06 -0.76 0.00 0.00 0.00 174.94 174.53 3i80 s LEU 83 N 1.71 3.84 0.09 2.97 1.02 -0.41 0.33 118.68 128.22 3i80 s LEU 83 Ca 0.07 0.13 -0.06 0.00 0.02 0.00 0.00 54.13 54.28 3i80 s LEU 83 Cb -0.16 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 3i80 s LEU 83 CO 0.08 0.22 0.13 0.28 0.02 0.00 0.00 176.35 177.08 3i80 s THR 84 N 0.08 0.15 0.76 5.49 -1.32 -0.74 -0.54 115.64 119.53 3i80 s THR 84 Ca 0.05 -1.43 -0.11 0.00 -1.21 0.00 0.00 61.69 58.99 3i80 s THR 84 Cb -0.12 -1.50 0.05 0.00 -1.51 0.00 0.00 72.50 69.42 3i80 s THR 84 CO 0.01 -0.70 1.08 0.00 -2.21 0.00 0.00 174.62 172.80 3i80 s GLN 85 N -3.90 2.42 0.11 7.08 -2.07 -1.17 -3.77 119.66 118.36 3i80 s GLN 85 Ca 0.08 0.79 -0.31 0.00 -1.82 0.00 0.00 55.36 54.10 3i80 s GLN 85 Cb 0.06 -1.94 -0.09 0.00 -1.09 0.00 0.00 33.01 29.94 3i80 s GLN 85 CO -0.09 -1.42 1.68 0.20 -1.32 0.00 0.00 175.29 174.34 3i80 s GLY 86 N -3.84 1.49 0.42 2.60 0.00 0.74 -4.86 107.32 103.88 3i80 s GLY 86 Ca 0.60 1.32 -0.24 0.00 0.00 0.00 0.00 44.72 46.39 3i80 s GLY 86 CO 0.55 2.89 1.05 -1.05 0.00 0.00 0.00 173.10 176.53 3i80 n PRO 87 N 5.15 1.43 -2.62 2.90 -0.02 -1.26 -4.68 135.00 135.91 3i80 n PRO 87 Ca 0.16 0.51 -0.24 0.00 -2.02 0.00 0.00 63.50 61.91 3i80 n PRO 87 Cb 0.39 -2.10 0.03 0.00 -0.02 0.00 0.00 33.50 31.81 3i80 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i80 s LEU 88 N -0.75 3.31 0.54 2.45 1.43 -1.26 -0.79 118.68 123.60 3i80 s LEU 88 Ca 0.63 0.33 0.23 0.00 -1.03 0.00 0.00 54.13 54.30 3i80 s LEU 88 Cb -0.55 -3.16 1.42 0.00 0.03 0.00 0.00 46.19 43.93 3i80 s LEU 88 CO 0.57 -1.06 2.07 -0.65 0.23 0.00 0.00 176.35 177.51 3i80 h PRO 89 N 0.01 0.00 -0.01 1.29 0.11 -1.96 -1.23 132.00 130.20 3i80 h PRO 89 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i80 h PRO 89 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3i80 h PRO 89 CO 0.57 0.00 -0.26 0.27 -0.21 0.00 0.00 178.00 178.37 3i80 n ASN 90 N -4.29 1.75 -0.28 -2.05 6.94 -1.26 -4.31 115.26 111.77 3i80 n ASN 90 Ca 0.04 -1.37 0.05 0.00 -0.02 0.00 0.00 54.58 53.27 3i80 n ASN 90 Cb 0.37 0.22 0.10 0.00 -2.36 0.00 0.00 39.78 38.11 3i80 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3i80 n THR 91 N -0.00 1.36 -0.19 5.53 -2.24 -0.48 -4.67 114.28 113.59 3i80 n THR 91 Ca 0.12 -1.39 -0.09 0.00 -2.27 0.00 0.00 64.05 60.43 3i80 n THR 91 Cb 0.43 0.24 0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3i80 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i80 h GLY 93 N 0.97 1.17 1.00 0.00 0.00 -1.90 -1.94 103.07 102.37 3i80 h GLY 93 Ca 0.16 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3i80 h GLY 93 CO 0.04 0.59 0.17 0.45 0.00 0.00 0.00 176.54 177.79 3i80 h HIS 94 N 1.07 0.95 0.02 5.60 3.86 -1.78 -0.48 115.15 124.39 3i80 h HIS 94 Ca 0.25 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3i80 h HIS 94 Cb 0.19 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 3i80 h HIS 94 CO 0.02 0.80 -0.06 0.35 0.86 0.00 0.00 177.93 179.89 3i80 h PHE 95 N 0.83 -0.15 -0.14 2.45 3.04 -0.74 0.32 116.94 122.55 3i80 h PHE 95 Ca 0.19 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.04 3i80 h PHE 95 Cb 0.30 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 3i80 h PHE 95 CO 0.02 -0.10 -0.38 -1.49 -2.02 0.00 0.00 178.31 174.34 3i80 h TRP 96 N -0.12 0.35 -0.77 0.41 4.06 -1.32 -1.58 115.95 116.98 3i80 h TRP 96 Ca 0.02 -0.09 0.01 0.00 2.06 0.00 0.00 58.89 60.89 3i80 h TRP 96 Cb 0.14 -0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 3i80 h TRP 96 CO -0.12 0.64 0.50 1.49 -3.56 0.00 0.00 178.44 177.39 3i80 h GLU 97 N 0.25 1.01 -0.29 0.49 4.81 -0.59 0.14 114.58 120.41 3i80 h GLU 97 Ca 0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3i80 h GLU 97 Cb 0.79 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3i80 h GLU 97 CO 0.06 0.68 0.14 1.98 -0.73 0.00 0.00 179.01 181.14 3i80 h MET 98 N 1.04 0.42 -0.49 1.92 4.05 -0.59 0.26 114.93 121.53 3i80 h MET 98 Ca 0.28 -0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.71 3i80 h MET 98 Cb -0.10 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.56 3i80 h MET 98 CO -0.06 0.40 0.15 0.28 0.23 0.00 0.00 176.91 177.91 3i80 h VAL 99 N 0.33 0.80 0.20 -5.77 2.07 -0.94 0.13 116.25 113.07 3i80 h VAL 99 Ca 0.10 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3i80 h VAL 99 Cb 0.12 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3i80 h VAL 99 CO -0.01 0.06 -0.10 -0.25 0.02 0.00 0.00 177.57 177.29 3i80 h TRP 100 N 0.31 -0.25 -0.09 1.57 2.91 -0.67 -2.32 115.95 117.41 3i80 h TRP 100 Ca 0.24 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.16 3i80 h TRP 100 Cb 0.28 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 3i80 h TRP 100 CO -0.18 0.02 -0.36 0.93 -1.03 0.00 0.00 178.44 177.82 3i80 h GLU 101 N -0.50 0.18 -0.00 2.65 5.08 -0.80 -2.39 114.58 118.80 3i80 h GLU 101 Ca -0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3i80 h GLU 101 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3i80 h GLU 101 CO 0.05 0.52 -0.09 1.04 -1.00 0.00 0.00 179.01 179.52 3i80 n GLN 102 N -4.08 0.86 -2.47 2.33 1.13 0.42 -4.94 117.38 110.64 3i80 n GLN 102 Ca -0.01 -0.32 -0.17 0.00 -1.94 0.00 0.00 57.00 54.56 3i80 n GLN 102 Cb 0.43 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.29 3i80 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3i80 n LYS 103 N -0.79 -2.05 -2.39 -1.09 5.02 -0.90 -4.05 118.16 111.91 3i80 n LYS 103 Ca 0.16 0.77 -0.38 0.00 -2.02 0.00 0.00 58.31 56.83 3i80 n LYS 103 Cb 0.27 -5.18 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 3i80 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3i80 s SER 104 N -2.42 6.71 -0.16 4.39 0.01 -0.97 -0.25 113.70 121.01 3i80 s SER 104 Ca 0.07 2.25 0.16 0.00 1.31 0.00 0.00 55.95 59.75 3i80 s SER 104 Cb -0.03 -2.61 -0.23 0.00 0.21 0.00 0.00 66.02 63.36 3i80 s SER 104 CO 0.09 -0.54 0.11 -1.14 0.41 0.00 0.00 173.24 172.17 3i80 n ARG 105 N 0.22 1.02 -4.69 12.44 0.63 -1.26 -4.87 116.66 120.14 3i80 n ARG 105 Ca 0.04 -0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 3i80 n ARG 105 Cb 0.47 -1.46 -0.14 0.00 0.45 0.00 0.00 32.46 31.78 3i80 n ARG 105 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3i80 s GLY 106 N -5.07 1.44 -0.12 5.14 0.00 -1.26 -0.94 107.32 106.51 3i80 s GLY 106 Ca -0.09 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.31 3i80 s GLY 106 CO 0.74 -1.25 -0.11 0.14 0.00 0.00 0.00 173.10 172.62 3i80 s VAL 107 N -0.91 1.25 -0.23 1.40 1.01 0.05 -1.52 120.40 121.46 3i80 s VAL 107 Ca 0.12 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 3i80 s VAL 107 Cb -0.10 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3i80 s VAL 107 CO 0.03 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.89 3i80 s VAL 108 N 1.52 4.14 -0.19 2.92 1.01 0.13 -0.54 120.40 129.39 3i80 s VAL 108 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 3i80 s VAL 108 Cb -0.13 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3i80 s VAL 108 CO -0.08 0.38 -0.15 -0.32 0.00 0.00 0.00 175.10 174.93 3i80 s MET 109 N 1.37 3.13 0.00 2.72 0.00 0.23 -1.06 119.30 125.70 3i80 s MET 109 Ca 0.05 -0.76 0.14 0.00 0.00 0.00 0.00 55.69 55.11 3i80 s MET 109 Cb -0.15 -2.70 0.23 0.00 0.00 0.00 0.00 34.83 32.22 3i80 s MET 109 CO 0.02 -0.17 1.11 1.28 0.00 0.00 0.00 175.02 177.27 3i80 n LEU 110 N 4.57 2.61 -4.59 4.11 4.77 -0.63 -0.89 117.00 126.95 3i80 n LEU 110 Ca -0.20 -1.44 -0.27 0.00 -0.03 0.00 0.00 56.01 54.07 3i80 n LEU 110 Cb 0.51 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.36 3i80 n LEU 110 CO 0.27 0.57 -0.29 0.54 -1.33 0.00 0.00 177.39 177.16 3i80 s ASN 111 N -1.09 3.63 0.22 -1.43 4.22 -1.25 -4.57 114.94 114.67 3i80 s ASN 111 Ca 0.22 -1.37 0.04 0.00 -2.14 0.00 0.00 52.86 49.61 3i80 s ASN 111 Cb 0.13 -0.35 -0.03 0.00 1.28 0.00 0.00 41.25 42.28 3i80 s ASN 111 CO 0.19 -0.47 0.35 -0.13 -2.04 0.00 0.00 177.10 174.99 3i80 s ARG 112 N -3.74 3.44 0.25 3.55 0.52 -1.26 -4.83 118.95 116.89 3i80 s ARG 112 Ca 0.35 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.80 3i80 s ARG 112 Cb 0.10 -2.90 0.26 0.00 0.52 0.00 0.00 34.95 32.92 3i80 s ARG 112 CO 0.18 0.44 1.93 0.28 0.02 0.00 0.00 175.30 178.14 3i80 h VAL 113 N 1.27 1.25 -3.32 3.52 2.07 -1.95 -3.40 116.25 115.71 3i80 h VAL 113 Ca -0.51 -0.46 -0.67 0.00 0.82 0.00 0.00 66.70 65.88 3i80 h VAL 113 Cb 1.22 -0.21 -0.30 0.00 -1.52 0.00 0.00 31.29 30.48 3i80 h VAL 113 CO 0.63 0.25 -0.82 -0.32 0.02 0.00 0.00 177.57 177.33 3i80 s MET 114 N -6.12 3.22 -0.02 1.57 -2.45 -1.26 -0.79 119.30 113.45 3i80 s MET 114 Ca -0.13 -0.77 0.02 0.00 -1.25 0.00 0.00 55.69 53.55 3i80 s MET 114 Cb 0.18 -2.50 0.01 0.00 1.25 0.00 0.00 34.83 33.77 3i80 s MET 114 CO 0.82 0.17 -0.06 -1.21 1.05 0.00 0.00 175.02 175.79 3i80 s GLU 115 N 0.43 0.69 -1.59 4.11 2.02 -0.49 -4.82 118.70 119.04 3i80 s GLU 115 Ca -0.13 -0.17 -0.14 0.00 0.02 0.00 0.00 54.97 54.55 3i80 s GLU 115 Cb -0.17 -0.68 0.11 0.00 0.10 0.00 0.00 34.13 33.49 3i80 s GLU 115 CO 0.06 0.03 0.83 1.63 0.02 0.00 0.00 175.26 177.83 3i80 n LYS 116 N 3.50 -4.23 -0.96 1.61 4.76 -1.26 -1.64 118.16 119.94 3i80 n LYS 116 Ca -0.20 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 3i80 n LYS 116 Cb 0.54 -5.21 0.00 0.00 -1.84 0.00 0.00 35.03 28.52 3i80 n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i80 n GLY 117 N -1.58 0.42 3.32 0.72 0.00 -1.26 -4.99 105.19 101.81 3i80 n GLY 117 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3i80 n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i80 s SER 118 N -2.15 2.77 -0.24 1.61 0.15 -0.65 -5.11 113.70 110.08 3i80 s SER 118 Ca 0.00 -0.72 -0.25 0.00 0.70 0.00 0.00 55.95 55.68 3i80 s SER 118 Cb 0.00 -0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.14 3i80 s SER 118 CO 0.00 0.09 0.85 -0.76 1.20 0.00 0.00 173.24 174.62 3i80 s LEU 119 N -2.02 4.09 -0.01 3.45 1.43 -1.26 -1.40 118.68 122.96 3i80 s LEU 119 Ca 0.09 1.08 0.13 0.00 -1.03 0.00 0.00 54.13 54.40 3i80 s LEU 119 Cb -0.10 -3.23 -0.18 0.00 0.03 0.00 0.00 46.19 42.72 3i80 s LEU 119 CO 0.05 -0.53 0.41 0.29 0.23 0.00 0.00 176.35 176.81 3i80 n LYS 120 N 6.02 1.44 -3.57 1.70 4.76 0.03 -4.99 118.16 123.55 3i80 n LYS 120 Ca 0.06 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.28 3i80 n LYS 120 Cb 0.47 -1.23 -0.06 0.00 -1.84 0.00 0.00 35.03 32.37 3i80 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i80 s ALA 122 N -0.52 2.61 -1.17 0.00 0.00 0.03 -4.81 121.76 117.91 3i80 s ALA 122 Ca -0.05 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.11 3i80 s ALA 122 Cb -0.02 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 19.92 3i80 s ALA 122 CO 0.05 -1.08 1.57 -1.14 0.00 0.00 0.00 175.76 175.16 3i80 s GLN 123 N -4.26 3.83 0.00 0.00 2.00 -1.26 -4.81 119.66 115.15 3i80 s GLN 123 Ca 0.64 -1.71 0.22 0.00 -2.00 0.00 0.00 55.36 52.50 3i80 s GLN 123 Cb -0.17 -5.39 0.65 0.00 0.80 0.00 0.00 33.01 28.90 3i80 s GLN 123 CO 0.42 -2.17 1.50 2.48 -0.50 0.00 0.00 175.29 177.02 3i80 n TYR 124 N 8.23 0.27 -4.04 1.67 0.18 -1.26 -4.84 117.16 117.37 3i80 n TYR 124 Ca 0.40 -0.13 -0.12 0.00 1.88 0.00 0.00 57.90 59.93 3i80 n TYR 124 Cb 0.48 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.32 3i80 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 3i80 s TRP 125 N -1.73 0.53 0.23 -3.48 -2.14 -1.26 -5.05 118.94 106.03 3i80 s TRP 125 Ca 0.34 -0.49 -0.30 0.00 2.66 0.00 0.00 56.10 58.31 3i80 s TRP 125 Cb 0.19 -0.33 -0.09 0.00 -3.10 0.00 0.00 33.47 30.14 3i80 s TRP 125 CO 0.28 -0.12 1.25 -1.25 -2.66 0.00 0.00 176.95 174.45 3i80 s PRO 126 N -1.49 4.45 0.02 3.25 0.04 -1.26 -4.94 135.00 135.07 3i80 s PRO 126 Ca -0.12 2.00 0.23 0.00 0.04 0.00 0.00 61.00 63.16 3i80 s PRO 126 Cb -0.10 -3.18 0.17 0.00 0.04 0.00 0.00 34.50 31.43 3i80 s PRO 126 CO -0.00 -0.12 1.15 1.04 0.04 0.00 0.00 177.00 179.11 3i80 n GLN 127 N 2.03 0.11 -4.56 4.56 6.02 -1.26 -4.62 117.38 119.66 3i80 n GLN 127 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.79 3i80 n GLN 127 Cb 0.43 -1.54 -0.16 0.00 1.02 0.00 0.00 30.24 29.99 3i80 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3i80 s LYS 128 N -3.08 1.49 0.27 -1.09 1.02 -1.26 -5.04 119.74 112.06 3i80 s LYS 128 Ca 0.08 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.66 3i80 s LYS 128 Cb 0.16 -1.28 0.62 0.00 -0.52 0.00 0.00 37.83 36.81 3i80 s LYS 128 CO 0.78 0.08 1.67 0.93 -0.92 0.00 0.00 175.35 177.88 3i80 h GLU 129 N 6.73 0.26 -0.00 1.68 3.07 -1.89 -1.52 114.58 122.90 3i80 h GLU 129 Ca -0.32 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3i80 h GLU 129 Cb 1.18 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3i80 h GLU 129 CO 0.48 0.17 -0.02 -0.85 -1.40 0.00 0.00 179.01 177.39 3i80 n GLU 130 N -5.17 0.88 -3.60 2.33 0.00 -1.26 -4.16 120.64 109.66 3i80 n GLU 130 Ca 0.19 -0.15 -0.28 0.00 0.00 0.00 0.00 57.16 56.92 3i80 n GLU 130 Cb 0.60 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.45 3i80 n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i80 n LYS 131 N -0.93 2.33 -1.43 3.44 4.76 -0.57 -5.10 118.16 120.65 3i80 n LYS 131 Ca 0.19 -4.60 -0.32 0.00 -2.87 0.00 0.00 58.31 50.71 3i80 n LYS 131 Cb 0.20 -2.28 0.08 0.00 -1.84 0.00 0.00 35.03 31.18 3i80 n LYS 131 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3i80 s GLU 132 N -2.08 2.38 -0.05 1.97 1.03 -1.26 -4.67 118.70 116.03 3i80 s GLU 132 Ca 0.34 1.32 -0.01 0.00 0.03 0.00 0.00 54.97 56.64 3i80 s GLU 132 Cb 0.07 -1.90 -0.04 0.00 -0.80 0.00 0.00 34.13 31.46 3i80 s GLU 132 CO -0.07 -1.56 0.04 -1.64 -1.33 0.00 0.00 175.26 170.70 3i80 s MET 133 N -4.51 3.03 -0.13 -4.83 -1.94 0.11 -4.96 119.30 106.07 3i80 s MET 133 Ca 0.65 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 54.21 3i80 s MET 133 Cb -0.20 -2.84 0.02 0.00 2.01 0.00 0.00 34.83 33.82 3i80 s MET 133 CO 0.50 0.68 -0.15 0.42 -0.01 0.00 0.00 175.02 176.46 3i80 s ILE 134 N -1.03 1.56 -0.54 2.53 1.01 -1.26 -0.30 121.20 123.17 3i80 s ILE 134 Ca 0.17 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.98 3i80 s ILE 134 Cb -0.12 -1.44 0.09 0.00 0.01 0.00 0.00 42.46 41.00 3i80 s ILE 134 CO 0.07 0.46 0.60 -0.36 0.00 0.00 0.00 174.94 175.71 3i80 s PHE 135 N 1.16 3.08 0.31 3.97 0.08 -0.45 -4.94 117.98 121.20 3i80 s PHE 135 Ca -0.02 -0.86 0.09 0.00 0.12 0.00 0.00 56.93 56.25 3i80 s PHE 135 Cb -0.14 -3.70 0.50 0.00 -0.57 0.00 0.00 43.02 39.11 3i80 s PHE 135 CO -0.05 -1.10 1.71 0.93 -0.10 0.00 0.00 175.22 176.61 3i80 h GLU 136 N 9.02 0.11 -0.43 0.44 5.08 -1.98 -0.46 114.58 126.37 3i80 h GLU 136 Ca -0.29 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 57.90 3i80 h GLU 136 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3i80 h GLU 136 CO 1.02 0.55 -0.19 0.38 -1.00 0.00 0.00 179.01 179.76 3i80 h ASP 137 N 0.09 0.86 -0.31 1.42 2.03 -1.97 -3.22 116.42 115.32 3i80 h ASP 137 Ca 0.00 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3i80 h ASP 137 Cb 0.85 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 3i80 h ASP 137 CO 0.06 1.03 0.00 0.35 -1.03 0.00 0.00 179.24 179.66 3i80 n THR 138 N -4.12 0.66 -3.52 1.15 -2.24 -1.15 -5.01 114.28 100.05 3i80 n THR 138 Ca 0.00 -0.83 -0.19 0.00 -2.27 0.00 0.00 64.05 60.77 3i80 n THR 138 Cb 0.43 0.77 0.07 0.00 -2.10 0.00 0.00 70.33 69.50 3i80 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i80 n ASN 139 N 0.82 -2.05 -4.18 3.42 5.15 -0.20 -4.92 115.26 113.32 3i80 n ASN 139 Ca 0.13 -0.67 -0.22 0.00 -0.60 0.00 0.00 54.58 53.21 3i80 n ASN 139 Cb 0.44 -4.81 -0.14 0.00 -0.53 0.00 0.00 39.78 34.74 3i80 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3i80 s LEU 140 N -6.51 2.14 0.01 1.20 1.43 -1.10 -1.50 118.68 114.35 3i80 s LEU 140 Ca 0.04 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 3i80 s LEU 140 Cb -0.02 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 3i80 s LEU 140 CO 0.75 0.11 -0.19 -0.75 0.23 0.00 0.00 176.35 176.50 3i80 s LYS 141 N -1.01 2.18 -0.07 1.70 2.20 0.32 -1.33 119.74 123.72 3i80 s LYS 141 Ca 0.04 -0.90 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 3i80 s LYS 141 Cb -0.08 -2.20 0.02 0.00 -1.51 0.00 0.00 37.83 34.07 3i80 s LYS 141 CO 0.01 0.56 -0.06 -1.17 -0.36 0.00 0.00 175.35 174.33 3i80 s LEU 142 N -1.08 1.24 -0.05 5.43 2.96 0.59 -0.42 118.68 127.35 3i80 s LEU 142 Ca 0.13 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3i80 s LEU 142 Cb -0.10 -0.62 0.00 0.00 0.50 0.00 0.00 46.19 45.97 3i80 s LEU 142 CO 0.03 -0.07 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.95 3i80 s THR 143 N 1.22 1.23 -0.09 3.68 2.01 -0.25 -0.72 115.64 122.72 3i80 s THR 143 Ca -0.06 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 3i80 s THR 143 Cb -0.14 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3i80 s THR 143 CO -0.02 0.37 1.30 -0.22 -0.69 0.00 0.00 174.62 175.36 3i80 s LEU 144 N 0.33 4.25 -0.26 4.42 2.96 -1.26 -0.29 118.68 128.83 3i80 s LEU 144 Ca -0.09 1.85 -0.01 0.00 -0.22 0.00 0.00 54.13 55.66 3i80 s LEU 144 Cb -0.13 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 3i80 s LEU 144 CO 0.03 -0.71 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.73 3i80 n ILE 145 N 5.01 1.50 -3.61 6.68 2.08 0.64 -4.33 119.36 127.33 3i80 n ILE 145 Ca 0.13 -0.54 -0.08 0.00 0.56 0.00 0.00 62.75 62.81 3i80 n ILE 145 Cb 0.45 -1.50 -0.02 0.00 -0.75 0.00 0.00 39.64 37.82 3i80 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3i80 s SER 146 N -6.68 -0.38 -0.03 4.38 1.04 -1.03 -4.98 113.70 106.02 3i80 s SER 146 Ca -0.35 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 3i80 s SER 146 Cb 0.10 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.81 3i80 s SER 146 CO 0.59 -0.98 0.06 -0.70 0.98 0.00 0.00 173.24 173.19 3i80 s GLU 147 N -3.58 0.02 -0.33 4.02 2.12 -1.26 -1.21 118.70 118.47 3i80 s GLU 147 Ca 0.06 0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.63 3i80 s GLU 147 Cb -0.02 -0.15 0.10 0.00 0.26 0.00 0.00 34.13 34.31 3i80 s GLU 147 CO -0.04 -0.12 0.05 0.34 -0.54 0.00 0.00 175.26 174.95 3i80 s ASP 148 N 0.80 4.68 -0.32 -1.70 2.15 0.62 -5.00 116.67 117.90 3i80 s ASP 148 Ca -0.06 -2.08 -0.19 0.00 0.43 0.00 0.00 52.55 50.65 3i80 s ASP 148 Cb -0.09 -1.55 -0.01 0.00 -0.30 0.00 0.00 42.92 40.97 3i80 s ASP 148 CO -0.03 -0.38 0.56 -0.63 -0.17 0.00 0.00 175.17 174.52 3i80 s ILE 149 N 0.98 4.99 0.42 4.11 1.01 -1.26 -1.35 121.20 130.10 3i80 s ILE 149 Ca 0.10 0.63 0.06 0.00 0.00 0.00 0.00 60.65 61.44 3i80 s ILE 149 Cb -0.19 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.39 3i80 s ILE 149 CO -0.10 -0.14 0.49 0.29 0.00 0.00 0.00 174.94 175.49 3i80 n LYS 150 N 5.77 0.77 0.12 2.79 4.76 0.12 -4.81 118.16 127.67 3i80 n LYS 150 Ca -0.03 -2.36 -0.03 0.00 -2.87 0.00 0.00 58.31 53.02 3i80 n LYS 150 Cb 0.49 -0.03 0.16 0.00 -1.84 0.00 0.00 35.03 33.82 3i80 n LYS 150 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3i80 h SER 151 N 0.21 0.12 0.00 4.39 4.64 -1.17 -3.34 113.55 118.40 3i80 h SER 151 Ca -0.22 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3i80 h SER 151 Cb 0.92 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3i80 h SER 151 CO 0.32 0.69 0.00 0.00 -0.87 0.00 0.00 176.83 176.97 3i80 n TYR 152 N -3.85 0.00 -3.59 4.77 4.11 -1.26 -5.00 117.16 112.34 3i80 n TYR 152 Ca -0.02 -0.09 -0.11 0.00 -0.00 0.00 0.00 57.90 57.69 3i80 n TYR 152 Cb 0.60 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.34 39.90 3i80 n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 3i80 s TYR 153 N -0.18 -0.28 -0.01 -3.48 1.13 -1.25 -0.87 117.35 112.41 3i80 s TYR 153 Ca 0.00 -0.02 0.02 0.00 -1.41 0.00 0.00 57.07 55.67 3i80 s TYR 153 Cb 0.00 0.34 -0.00 0.00 -1.10 0.00 0.00 41.96 41.20 3i80 s TYR 153 CO 0.00 -0.76 -0.08 0.99 -2.51 0.00 0.00 175.55 173.19 3i80 s THR 154 N -3.80 0.65 -0.16 -3.49 2.01 -0.03 -0.70 115.64 110.12 3i80 s THR 154 Ca 0.03 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 3i80 s THR 154 Cb 0.01 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 3i80 s THR 154 CO -0.11 0.19 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.23 3i80 s VAL 155 N -0.07 3.33 -0.03 3.82 1.01 -0.46 -0.73 120.40 127.27 3i80 s VAL 155 Ca 0.01 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3i80 s VAL 155 Cb -0.05 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3i80 s VAL 155 CO -0.00 0.49 -0.23 -0.13 0.00 0.00 0.00 175.10 175.22 3i80 s ARG 156 N 0.69 2.29 -0.27 2.72 0.52 0.22 -0.28 118.95 124.83 3i80 s ARG 156 Ca -0.04 -0.88 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 3i80 s ARG 156 Cb -0.15 -2.14 -0.05 0.00 0.52 0.00 0.00 34.95 33.13 3i80 s ARG 156 CO 0.02 0.53 0.21 -1.14 0.02 0.00 0.00 175.30 174.94 3i80 s GLN 157 N -0.54 3.98 0.20 3.54 0.74 -0.35 -0.61 119.66 126.62 3i80 s GLN 157 Ca 0.08 -0.26 0.09 0.00 0.05 0.00 0.00 55.36 55.31 3i80 s GLN 157 Cb -0.11 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 3i80 s GLN 157 CO 0.00 -0.14 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.01 3i80 s LEU 158 N 1.65 3.01 -0.18 3.68 1.43 0.32 -0.26 118.68 128.33 3i80 s LEU 158 Ca 0.08 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3i80 s LEU 158 Cb -0.15 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.41 3i80 s LEU 158 CO 0.10 0.08 -0.15 -0.70 0.23 0.00 0.00 176.35 175.91 3i80 s GLU 159 N -3.00 3.14 -0.22 1.70 2.12 0.60 -1.21 118.70 121.83 3i80 s GLU 159 Ca 0.26 -0.76 -0.06 0.00 0.36 0.00 0.00 54.97 54.77 3i80 s GLU 159 Cb -0.08 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 3i80 s GLU 159 CO 0.16 -0.14 0.04 -1.17 -0.54 0.00 0.00 175.26 173.61 3i80 s LEU 160 N 1.20 3.40 -0.13 2.70 2.96 0.37 -1.09 118.68 128.10 3i80 s LEU 160 Ca 0.02 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3i80 s LEU 160 Cb -0.14 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 3i80 s LEU 160 CO -0.07 0.02 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.09 3i80 s GLU 161 N 1.26 3.14 -0.62 1.98 2.12 0.44 0.03 118.70 127.04 3i80 s GLU 161 Ca 0.04 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.28 3i80 s GLU 161 Cb -0.15 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.81 3i80 s GLU 161 CO 0.02 0.11 1.33 1.21 -0.54 0.00 0.00 175.26 177.39 3i80 s ASN 162 N 0.54 6.20 0.60 -1.70 3.84 -0.53 -0.52 114.94 123.36 3i80 s ASN 162 Ca -0.12 0.01 0.31 0.00 0.21 0.00 0.00 52.86 53.27 3i80 s ASN 162 Cb -0.17 -2.55 1.87 0.00 -0.55 0.00 0.00 41.25 39.85 3i80 s ASN 162 CO 0.04 -1.71 2.26 -0.07 -2.79 0.00 0.00 177.10 174.83 3i80 h LEU 163 N 12.87 0.00 -0.00 3.21 3.38 -1.58 0.58 115.31 133.77 3i80 h LEU 163 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i80 h LEU 163 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3i80 h LEU 163 CO 1.21 0.00 -0.00 0.74 0.09 0.00 0.00 178.44 180.48 3i80 h THR 164 N 0.00 1.42 0.00 0.22 2.02 -1.90 -3.30 112.91 111.36 3i80 h THR 164 Ca 0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 3i80 h THR 164 Cb 0.02 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 3i80 h THR 164 CO -0.00 0.32 -0.86 0.35 0.37 0.00 0.00 175.52 175.70 3i80 n THR 165 N -4.84 0.02 -1.28 3.16 -2.24 -1.02 -4.96 114.28 103.11 3i80 n THR 165 Ca -0.09 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 3i80 n THR 165 Cb 0.27 0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 3i80 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i80 n GLN 166 N -1.56 -1.64 -3.10 -0.78 6.02 0.20 -5.00 117.38 111.53 3i80 n GLN 166 Ca 0.04 0.82 -0.34 0.00 -0.01 0.00 0.00 57.00 57.51 3i80 n GLN 166 Cb 0.35 -5.20 -0.06 0.00 1.02 0.00 0.00 30.24 26.35 3i80 n GLN 166 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i80 s GLU 167 N -2.75 4.12 0.17 -1.09 -1.05 -1.23 -4.87 118.70 112.00 3i80 s GLU 167 Ca 0.00 0.78 0.10 0.00 -0.15 0.00 0.00 54.97 55.70 3i80 s GLU 167 Cb 0.00 -2.59 -0.04 0.00 -0.44 0.00 0.00 34.13 31.06 3i80 s GLU 167 CO 0.00 0.24 -0.21 0.95 0.95 0.00 0.00 175.26 177.19 3i80 s THR 168 N -1.82 2.04 0.03 1.83 -4.23 -1.26 -1.46 115.64 110.77 3i80 s THR 168 Ca 0.50 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 3i80 s THR 168 Cb -0.13 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 3i80 s THR 168 CO 0.19 -0.20 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.88 3i80 s ARG 169 N -2.63 0.42 -0.14 3.99 0.52 0.10 -4.98 118.95 116.24 3i80 s ARG 169 Ca 0.17 -0.59 -0.24 0.00 -0.52 0.00 0.00 55.73 54.55 3i80 s ARG 169 Cb -0.07 -0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 3i80 s ARG 169 CO 0.08 0.03 0.76 -2.00 0.02 0.00 0.00 175.30 174.18 3i80 s GLU 170 N -1.25 4.33 -0.11 3.54 2.12 -1.26 -0.47 118.70 125.60 3i80 s GLU 170 Ca -0.09 0.91 0.01 0.00 0.36 0.00 0.00 54.97 56.16 3i80 s GLU 170 Cb -0.08 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 3i80 s GLU 170 CO -0.00 -0.18 -0.14 0.42 -0.54 0.00 0.00 175.26 174.82 3i80 s ILE 171 N 1.64 3.02 -0.19 -3.70 -1.09 -0.35 -4.84 121.20 115.69 3i80 s ILE 171 Ca 0.37 -0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 57.98 3i80 s ILE 171 Cb -0.17 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.42 3i80 s ILE 171 CO 0.14 0.54 0.22 -0.76 -1.23 0.00 0.00 174.94 173.85 3i80 s LEU 172 N 0.14 4.21 -0.22 2.97 1.43 -0.12 -0.52 118.68 126.56 3i80 s LEU 172 Ca -0.07 0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3i80 s LEU 172 Cb -0.15 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3i80 s LEU 172 CO 0.05 0.11 -0.04 -2.28 0.23 0.00 0.00 176.35 174.42 3i80 s HIS 173 N 0.56 2.96 -0.30 0.29 2.46 0.22 -0.77 115.29 120.71 3i80 s HIS 173 Ca 0.12 -0.89 -0.04 0.00 0.47 0.00 0.00 55.06 54.72 3i80 s HIS 173 Cb -0.12 -2.10 0.03 0.00 -0.13 0.00 0.00 32.58 30.25 3i80 s HIS 173 CO 0.02 -0.52 0.04 -0.06 -2.47 0.00 0.00 174.74 171.75 3i80 s PHE 174 N 1.44 3.19 -0.36 3.88 0.08 0.30 -0.61 117.98 125.90 3i80 s PHE 174 Ca 0.05 -1.44 -0.03 0.00 0.12 0.00 0.00 56.93 55.64 3i80 s PHE 174 Cb -0.14 -2.19 0.08 0.00 -0.57 0.00 0.00 43.02 40.20 3i80 s PHE 174 CO -0.03 -0.71 0.11 -1.58 -0.10 0.00 0.00 175.22 172.92 3i80 s HIS 175 N 1.38 3.45 -0.28 0.36 2.46 0.09 -0.60 115.29 122.15 3i80 s HIS 175 Ca -0.01 -2.15 -0.26 0.00 0.47 0.00 0.00 55.06 53.11 3i80 s HIS 175 Cb -0.18 -2.71 0.00 0.00 -0.13 0.00 0.00 32.58 29.56 3i80 s HIS 175 CO 0.00 -0.89 0.89 -0.47 -2.47 0.00 0.00 174.74 171.81 3i80 s TYR 176 N 1.20 3.24 -1.92 3.88 6.14 -0.07 -0.85 117.35 128.96 3i80 s TYR 176 Ca 0.02 1.06 0.17 0.00 0.64 0.00 0.00 57.07 58.96 3i80 s TYR 176 Cb -0.21 -3.28 0.09 0.00 0.42 0.00 0.00 41.96 38.98 3i80 s TYR 176 CO -0.03 -0.56 0.98 0.25 0.64 0.00 0.00 175.55 176.84 3i80 n THR 177 N 5.51 0.00 -1.49 4.34 -2.24 -0.05 -3.96 114.28 116.38 3i80 n THR 177 Ca 0.07 -0.45 0.07 0.00 -2.27 0.00 0.00 64.05 61.47 3i80 n THR 177 Cb 0.47 1.30 0.13 0.00 -2.10 0.00 0.00 70.33 70.14 3i80 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i80 n THR 178 N 0.63 1.57 -3.49 4.28 -2.24 -1.24 -4.84 114.28 108.95 3i80 n THR 178 Ca 0.09 -2.17 -0.42 0.00 -2.27 0.00 0.00 64.05 59.27 3i80 n THR 178 Cb 0.40 -0.03 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 3i80 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3i80 s TRP 179 N -2.36 3.38 0.45 4.78 -0.11 -1.26 -4.66 118.94 119.16 3i80 s TRP 179 Ca 0.30 -1.70 -0.25 0.00 1.22 0.00 0.00 56.10 55.67 3i80 s TRP 179 Cb 0.28 -3.54 -0.08 0.00 -1.50 0.00 0.00 33.47 28.63 3i80 s TRP 179 CO -0.02 -0.99 1.41 -2.14 -4.62 0.00 0.00 176.95 170.58 3i80 s PRO 180 N 1.43 3.67 0.23 5.86 0.02 -1.26 -4.79 135.00 140.16 3i80 s PRO 180 Ca 0.05 2.37 -0.31 0.00 0.02 0.00 0.00 61.00 63.13 3i80 s PRO 180 Cb -0.27 -2.63 -0.11 0.00 0.02 0.00 0.00 34.50 31.50 3i80 s PRO 180 CO 0.00 -0.81 1.65 0.34 -0.33 0.00 0.00 177.00 177.85 3i80 s ASP 181 N -0.58 6.42 -1.06 2.53 3.68 -1.26 -0.76 116.67 125.64 3i80 s ASP 181 Ca 0.61 2.85 0.00 0.00 2.13 0.00 0.00 52.55 58.14 3i80 s ASP 181 Cb -0.43 -2.61 0.00 0.00 -1.45 0.00 0.00 42.92 38.43 3i80 s ASP 181 CO 0.55 -0.92 0.00 0.49 0.13 0.00 0.00 175.17 175.41 3i80 n PHE 182 N 3.35 0.00 -4.09 -5.34 3.01 -1.26 -4.97 117.46 108.16 3i80 n PHE 182 Ca 0.13 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.53 3i80 n PHE 182 Cb 0.37 -2.10 -0.01 0.00 -0.01 0.00 0.00 39.48 37.73 3i80 n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i80 n GLY 183 N -1.17 4.01 3.37 1.37 0.00 0.06 -4.94 105.19 107.89 3i80 n GLY 183 Ca -0.10 -2.23 -0.22 0.00 0.00 0.00 0.00 46.02 43.47 3i80 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i80 s VAL 184 N -1.25 1.98 0.90 1.61 -7.23 -1.26 -4.81 120.40 110.35 3i80 s VAL 184 Ca 0.00 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 57.97 3i80 s VAL 184 Cb -0.00 -2.01 0.13 0.00 0.56 0.00 0.00 36.38 35.06 3i80 s VAL 184 CO 0.00 -0.39 1.13 -2.65 -0.31 0.00 0.00 175.10 172.88 3i80 n PRO 185 N -0.06 -0.35 0.22 4.82 -0.02 -1.26 -4.55 135.00 133.80 3i80 n PRO 185 Ca -0.10 -0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.48 3i80 n PRO 185 Cb 0.58 -2.37 0.76 0.00 -0.02 0.00 0.00 33.50 32.46 3i80 n PRO 185 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3i80 h GLU 186 N -1.72 0.00 -1.72 -0.52 5.08 -1.99 -3.45 114.58 110.26 3i80 h GLU 186 Ca -0.44 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3i80 h GLU 186 Cb 1.28 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.31 3i80 h GLU 186 CO 0.42 0.00 0.41 0.45 -1.00 0.00 0.00 179.01 179.28 3i80 s SER 187 N -6.44 -0.48 0.21 1.42 0.15 -1.26 -5.01 113.70 102.28 3i80 s SER 187 Ca -0.05 0.56 -0.11 0.00 0.70 0.00 0.00 55.95 57.06 3i80 s SER 187 Cb 0.16 0.44 0.29 0.00 -1.71 0.00 0.00 66.02 65.21 3i80 s SER 187 CO 0.62 -0.42 1.68 -0.65 1.20 0.00 0.00 173.24 175.67 3i80 h PRO 188 N 2.86 0.17 -0.22 5.44 0.11 -1.94 -2.10 132.00 136.32 3i80 h PRO 188 Ca -0.22 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.94 3i80 h PRO 188 Cb 1.16 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 3i80 h PRO 188 CO 0.32 0.11 -0.19 0.00 -0.21 0.00 0.00 178.00 178.03 3i80 h ALA 189 N 1.52 -0.06 -0.18 -0.75 0.00 -1.95 0.21 119.26 118.04 3i80 h ALA 189 Ca 0.31 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 3i80 h ALA 189 Cb 0.49 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3i80 h ALA 189 CO -0.46 -0.62 -0.31 0.66 0.00 0.00 0.00 179.25 178.52 3i80 h SER 190 N -0.20 0.36 -0.28 0.00 4.64 -1.77 0.84 113.55 117.15 3i80 h SER 190 Ca 0.13 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3i80 h SER 190 Cb 0.40 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3i80 h SER 190 CO -0.34 0.66 -0.10 0.15 -0.87 0.00 0.00 176.83 176.33 3i80 h PHE 191 N 0.31 0.64 -0.23 4.77 3.57 -0.71 -2.42 116.94 122.88 3i80 h PHE 191 Ca 0.04 -0.15 -0.13 0.00 3.53 0.00 0.00 57.97 61.27 3i80 h PHE 191 Cb 0.71 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3i80 h PHE 191 CO 0.02 0.79 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.42 3i80 h LEU 192 N 0.31 0.55 -0.54 0.59 3.38 -0.33 -0.09 115.31 119.17 3i80 h LEU 192 Ca 0.07 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3i80 h LEU 192 Cb 0.60 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3i80 h LEU 192 CO 0.03 0.88 0.33 -1.13 0.09 0.00 0.00 178.44 178.64 3i80 h ASN 193 N 0.43 0.53 -0.30 -0.43 -1.24 -0.81 0.01 115.58 113.78 3i80 h ASN 193 Ca 0.04 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 3i80 h ASN 193 Cb 0.88 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 3i80 h ASN 193 CO 0.07 0.38 -0.08 0.15 -1.29 0.00 0.00 177.43 176.66 3i80 h PHE 194 N 0.65 0.66 -0.18 0.67 3.57 -1.02 -1.92 116.94 119.38 3i80 h PHE 194 Ca 0.22 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3i80 h PHE 194 Cb 0.02 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3i80 h PHE 194 CO -0.06 0.78 0.02 1.25 -2.23 0.00 0.00 178.31 178.07 3i80 h LEU 195 N 0.35 -0.03 -1.50 0.59 5.85 -0.71 -2.14 115.31 117.73 3i80 h LEU 195 Ca 0.08 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3i80 h LEU 195 Cb 0.57 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3i80 h LEU 195 CO 0.03 0.01 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.64 3i80 h PHE 196 N 0.08 0.00 -0.75 1.25 -1.00 -0.96 -1.27 116.94 114.30 3i80 h PHE 196 Ca 0.08 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 3i80 h PHE 196 Cb 0.09 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 3i80 h PHE 196 CO -0.15 0.24 0.35 -0.22 -1.61 0.00 0.00 178.31 176.93 3i80 h LYS 197 N 0.00 1.08 -0.18 1.51 1.63 -0.78 -1.01 116.57 118.81 3i80 h LYS 197 Ca -0.00 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 3i80 h LYS 197 Cb 0.54 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 3i80 h LYS 197 CO 0.03 0.85 0.03 0.28 -3.45 0.00 0.00 179.45 177.19 3i80 h VAL 198 N 1.05 1.23 -0.70 2.00 2.07 -0.65 -2.98 116.25 118.27 3i80 h VAL 198 Ca 0.26 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.10 3i80 h VAL 198 Cb 0.13 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3i80 h VAL 198 CO -0.03 0.23 0.38 0.03 0.02 0.00 0.00 177.57 178.20 3i80 h ARG 199 N 0.09 0.66 0.00 1.57 3.08 -1.17 -2.36 114.38 116.25 3i80 h ARG 199 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i80 h ARG 199 Cb 0.32 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3i80 h ARG 199 CO 0.00 0.44 0.00 0.39 -1.07 0.00 0.00 179.97 179.73 3i80 n GLU 200 N -4.80 0.10 0.00 0.04 1.02 -0.39 -2.24 120.64 114.37 3i80 n GLU 200 Ca 0.10 0.31 0.13 0.00 -0.02 0.00 0.00 57.16 57.67 3i80 n GLU 200 Cb 0.21 -1.68 0.49 0.00 -0.02 0.00 0.00 31.44 30.44 3i80 n GLU 200 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3i80 n SER 201 N -1.87 0.19 0.00 1.62 3.41 -0.89 -4.92 113.62 111.16 3i80 n SER 201 Ca 0.03 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3i80 n SER 201 Cb 0.23 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i80 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i80 n GLY 202 N 1.49 1.46 0.32 5.00 0.00 -0.95 -4.91 105.19 107.61 3i80 n GLY 202 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.28 3i80 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i80 h SER 203 N 0.00 0.00 -0.24 1.61 0.02 -1.78 -1.86 113.55 111.29 3i80 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i80 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3i80 h SER 203 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 3i80 n LEU 204 N -3.41 3.13 -4.79 5.07 4.77 -1.26 -4.28 117.00 116.24 3i80 n LEU 204 Ca -0.03 -1.33 -0.33 0.00 -0.03 0.00 0.00 56.01 54.28 3i80 n LEU 204 Cb 0.10 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3i80 n LEU 204 CO 0.23 0.63 0.74 -0.44 -1.33 0.00 0.00 177.39 177.22 3i80 s SER 205 N -1.53 5.60 0.36 -1.43 0.01 -0.70 -4.95 113.70 111.05 3i80 s SER 205 Ca 0.32 1.96 0.27 0.00 1.31 0.00 0.00 55.95 59.81 3i80 s SER 205 Cb 0.20 -2.55 0.95 0.00 0.21 0.00 0.00 66.02 64.82 3i80 s SER 205 CO 0.28 -1.29 1.79 1.55 0.41 0.00 0.00 173.24 175.97 3i80 h PRO 206 N 0.56 0.00 0.00 12.44 0.13 -1.93 -2.78 132.00 140.42 3i80 h PRO 206 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3i80 h PRO 206 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3i80 h PRO 206 CO 0.56 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.48 3i80 n GLU 207 N -2.62 0.29 -4.09 0.86 0.00 -1.26 -4.78 120.64 109.04 3i80 n GLU 207 Ca 0.03 0.05 -0.23 0.00 0.00 0.00 0.00 57.16 57.01 3i80 n GLU 207 Cb 0.34 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.22 3i80 n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3i80 s HIS 208 N -2.66 2.74 1.07 -1.84 3.76 -1.05 -5.13 115.29 112.18 3i80 s HIS 208 Ca 0.22 -0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 54.65 3i80 s HIS 208 Cb 0.17 -1.62 0.23 0.00 1.11 0.00 0.00 32.58 32.48 3i80 s HIS 208 CO 0.41 0.35 1.07 0.20 -0.85 0.00 0.00 174.74 175.91 3i80 s GLY 209 N -3.85 1.55 0.34 -2.22 0.00 0.65 -4.91 107.32 98.89 3i80 s GLY 209 Ca 0.37 -0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.50 3i80 s GLY 209 CO 0.23 0.36 1.47 -4.14 0.00 0.00 0.00 173.10 171.02 3i80 s PRO 210 N -4.78 4.16 0.40 2.90 0.02 -1.26 -4.34 135.00 132.11 3i80 s PRO 210 Ca 0.67 2.50 -0.27 0.00 0.02 0.00 0.00 61.00 63.91 3i80 s PRO 210 Cb -0.21 -3.01 -0.10 0.00 0.02 0.00 0.00 34.50 31.21 3i80 s PRO 210 CO 0.60 -0.49 1.41 0.54 -0.33 0.00 0.00 177.00 178.73 3i80 s VAL 211 N -0.83 2.25 -0.27 3.83 0.11 -1.25 -4.47 120.40 119.77 3i80 s VAL 211 Ca 0.55 0.24 -0.17 0.00 -2.93 0.00 0.00 61.98 59.66 3i80 s VAL 211 Cb -0.45 -3.15 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 3i80 s VAL 211 CO 0.57 0.05 0.48 -0.69 -3.33 0.00 0.00 175.10 172.17 3i80 s VAL 212 N -1.18 5.09 -0.10 2.04 1.01 -0.57 -0.76 120.40 125.93 3i80 s VAL 212 Ca 0.56 0.76 0.01 0.00 0.00 0.00 0.00 61.98 63.32 3i80 s VAL 212 Cb -0.43 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 3i80 s VAL 212 CO 0.57 0.09 -0.14 -0.69 0.00 0.00 0.00 175.10 174.92 3i80 s VAL 213 N 2.25 3.03 0.05 2.92 1.01 0.15 0.20 120.40 130.01 3i80 s VAL 213 Ca 0.19 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3i80 s VAL 213 Cb -0.16 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3i80 s VAL 213 CO 0.10 0.55 0.33 -1.38 0.00 0.00 0.00 175.10 174.70 3i80 s HIS 214 N -0.09 -0.14 0.00 5.22 -3.43 -0.22 -1.79 115.29 114.84 3i80 s HIS 214 Ca -0.02 0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 3i80 s HIS 214 Cb -0.14 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 3i80 s HIS 214 CO 0.04 -0.53 0.00 0.00 -2.00 0.00 0.00 174.74 172.25 3i80 h SER 216 N 0.00 0.00 0.60 0.00 0.87 -1.89 -1.96 113.55 111.17 3i80 h SER 216 Ca 0.00 -0.52 -0.16 0.00 -1.23 0.00 0.00 61.79 59.88 3i80 h SER 216 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3i80 h SER 216 CO 0.00 0.86 -1.52 0.00 -0.53 0.00 0.00 176.83 175.64 3i80 n ALA 217 N -2.84 2.02 -1.25 6.23 0.00 -1.26 -0.18 120.51 123.22 3i80 n ALA 217 Ca -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3i80 n ALA 217 Cb 0.32 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3i80 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i80 n GLY 218 N 1.40 0.49 0.00 0.00 0.00 -1.25 -3.90 105.19 101.93 3i80 n GLY 218 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3i80 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i80 n ILE 219 N -3.21 0.00 0.00 -0.61 -5.35 -1.26 -4.48 119.36 104.45 3i80 n ILE 219 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3i80 n ILE 219 Cb 0.18 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 3i80 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i80 n GLY 220 N 2.20 -0.02 0.28 3.28 0.00 -1.26 0.10 105.19 109.78 3i80 n GLY 220 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3i80 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i80 h ARG 221 N 0.00 0.96 -0.47 1.61 3.08 -1.94 -0.98 114.38 116.64 3i80 h ARG 221 Ca 0.00 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 59.84 3i80 h ARG 221 Cb 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3i80 h ARG 221 CO 0.00 0.91 0.22 0.77 -1.07 0.00 0.00 179.97 180.80 3i80 h SER 222 N 0.87 0.31 -0.48 7.04 0.02 -1.87 0.12 113.55 119.56 3i80 h SER 222 Ca 0.18 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3i80 h SER 222 Cb 0.40 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3i80 h SER 222 CO 0.01 0.22 0.31 1.23 -1.14 0.00 0.00 176.83 177.46 3i80 h GLY 223 N 0.44 0.67 1.00 -3.77 0.00 -1.15 -1.26 103.07 99.02 3i80 h GLY 223 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3i80 h GLY 223 CO -0.16 0.25 0.40 -0.84 0.00 0.00 0.00 176.54 176.19 3i80 h THR 224 N 0.65 1.17 0.02 4.70 2.02 -0.66 0.83 112.91 121.64 3i80 h THR 224 Ca 0.17 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3i80 h THR 224 Cb -0.07 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3i80 h THR 224 CO -0.04 0.17 -0.01 0.15 0.37 0.00 0.00 175.52 176.17 3i80 h PHE 225 N 0.86 -0.02 -0.26 3.16 3.57 -0.69 -2.71 116.94 120.85 3i80 h PHE 225 Ca 0.23 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3i80 h PHE 225 Cb -0.07 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3i80 h PHE 225 CO -0.02 0.14 0.10 0.00 -2.23 0.00 0.00 178.31 176.30 3i80 h LEU 227 N 0.27 -0.35 -0.29 0.00 5.85 -0.84 -0.94 115.31 119.01 3i80 h LEU 227 Ca 0.09 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3i80 h LEU 227 Cb 0.19 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3i80 h LEU 227 CO -0.01 -0.14 0.08 0.00 -0.34 0.00 0.00 178.44 178.04 3i80 h ALA 228 N 1.08 0.31 -0.25 1.25 0.00 -1.44 -1.43 119.26 118.78 3i80 h ALA 228 Ca 0.11 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3i80 h ALA 228 Cb 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3i80 h ALA 228 CO -0.26 -0.33 0.13 0.22 0.00 0.00 0.00 179.25 179.01 3i80 h ASP 229 N 0.20 0.19 -0.67 0.00 3.58 -1.10 -1.72 116.42 116.91 3i80 h ASP 229 Ca 0.13 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 3i80 h ASP 229 Cb 0.11 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 3i80 h ASP 229 CO -0.15 0.15 0.19 0.74 -2.88 0.00 0.00 179.24 177.29 3i80 h THR 230 N 0.27 1.25 -0.75 2.25 2.02 -1.01 -0.85 112.91 116.09 3i80 h THR 230 Ca 0.10 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 3i80 h THR 230 Cb 0.02 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 3i80 h THR 230 CO -0.07 0.34 0.40 0.00 0.37 0.00 0.00 175.52 176.56 3i80 h LEU 232 N 1.04 0.78 -0.38 0.00 3.38 -1.07 -1.52 115.31 117.55 3i80 h LEU 232 Ca 0.26 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i80 h LEU 232 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3i80 h LEU 232 CO -0.04 0.97 0.07 0.25 0.09 0.00 0.00 178.44 179.78 3i80 h LEU 233 N 0.69 0.59 -0.25 1.67 5.85 -0.67 -0.96 115.31 122.24 3i80 h LEU 233 Ca 0.10 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3i80 h LEU 233 Cb 0.70 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3i80 h LEU 233 CO 0.05 0.69 0.14 -0.07 -0.34 0.00 0.00 178.44 178.91 3i80 h LEU 234 N 0.46 0.22 -1.43 2.25 3.38 -0.81 -1.63 115.31 117.75 3i80 h LEU 234 Ca 0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3i80 h LEU 234 Cb 0.34 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3i80 h LEU 234 CO 0.01 0.16 0.40 -0.03 0.09 0.00 0.00 178.44 179.06 3i80 h MET 235 N 0.28 0.76 -0.53 1.13 4.05 -1.15 -2.51 114.93 116.97 3i80 h MET 235 Ca 0.10 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.35 3i80 h MET 235 Cb 0.01 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 3i80 h MET 235 CO -0.05 0.50 -0.14 0.22 0.23 0.00 0.00 176.91 177.66 3i80 h ASP 236 N 0.78 1.04 -0.91 1.39 3.58 -0.60 0.11 116.42 121.81 3i80 h ASP 236 Ca 0.22 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 57.31 3i80 h ASP 236 Cb -0.05 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.68 3i80 h ASP 236 CO -0.05 1.17 0.59 0.50 -2.88 0.00 0.00 179.24 178.56 3i80 h LYS 237 N 0.90 1.21 -0.00 0.28 1.63 -0.85 -3.08 116.57 116.66 3i80 h LYS 237 Ca 0.13 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3i80 h LYS 237 Cb 0.72 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3i80 h LYS 237 CO 0.06 0.82 -0.64 0.54 -3.45 0.00 0.00 179.45 176.77 3i80 n ARG 238 N -4.38 2.12 -4.07 1.90 1.74 -1.19 -4.97 116.66 107.81 3i80 n ARG 238 Ca 0.10 -0.10 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3i80 n ARG 238 Cb 0.03 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 3i80 n ARG 238 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i80 n LYS 239 N -1.19 -3.55 -3.45 5.56 4.76 0.37 -4.95 118.16 115.70 3i80 n LYS 239 Ca 0.03 0.42 -0.28 0.00 -2.87 0.00 0.00 58.31 55.61 3i80 n LYS 239 Cb 0.24 -4.92 -0.11 0.00 -1.84 0.00 0.00 35.03 28.40 3i80 n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i80 s ASP 240 N -3.74 2.43 0.34 4.39 3.68 -1.08 -5.00 116.67 117.70 3i80 s ASP 240 Ca 0.43 -2.56 0.11 0.00 2.13 0.00 0.00 52.55 52.66 3i80 s ASP 240 Cb -0.23 -0.45 0.90 0.00 -1.45 0.00 0.00 42.92 41.69 3i80 s ASP 240 CO 0.90 -0.25 1.77 -0.65 0.13 0.00 0.00 175.17 177.06 3i80 h PRO 241 N 6.46 0.57 0.00 4.34 0.11 -1.93 -1.22 132.00 140.34 3i80 h PRO 241 Ca 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3i80 h PRO 241 Cb 0.94 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3i80 h PRO 241 CO 0.32 0.38 0.00 0.43 -0.21 0.00 0.00 178.00 178.92 3i80 n SER 242 N -4.74 0.64 0.03 -2.05 7.64 -1.26 -2.32 113.62 111.56 3i80 n SER 242 Ca 0.25 0.63 0.14 0.00 1.01 0.00 0.00 58.87 60.90 3i80 n SER 242 Cb 0.71 -0.78 0.55 0.00 -1.01 0.00 0.00 64.21 63.68 3i80 n SER 242 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i80 n SER 243 N -2.18 0.23 -4.59 6.43 3.41 -0.46 -4.74 113.62 111.73 3i80 n SER 243 Ca 0.03 0.49 -0.40 0.00 -0.26 0.00 0.00 58.87 58.73 3i80 n SER 243 Cb 0.26 -0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 63.59 3i80 n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i80 s VAL 244 N -3.03 5.12 -0.66 -3.33 1.01 -0.98 -5.02 120.40 113.52 3i80 s VAL 244 Ca 0.13 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 3i80 s VAL 244 Cb 0.17 -3.79 0.17 0.00 0.00 0.00 0.00 36.38 32.93 3i80 s VAL 244 CO 0.56 0.04 0.56 -0.62 0.00 0.00 0.00 175.10 175.63 3i80 s ASP 245 N 1.66 6.10 0.27 3.32 -1.08 -1.26 -4.80 116.67 120.88 3i80 s ASP 245 Ca 0.16 -2.40 -0.01 0.00 -0.52 0.00 0.00 52.55 49.78 3i80 s ASP 245 Cb -0.16 -2.09 0.53 0.00 -1.46 0.00 0.00 42.92 39.74 3i80 s ASP 245 CO 0.11 -0.60 1.79 0.40 0.52 0.00 0.00 175.17 177.38 3i80 h ILE 246 N 5.38 0.80 -0.33 4.11 2.04 -1.98 -0.82 117.51 126.72 3i80 h ILE 246 Ca -0.06 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 3i80 h ILE 246 Cb 1.04 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3i80 h ILE 246 CO 0.81 0.14 -0.30 0.11 0.00 0.00 0.00 178.15 178.91 3i80 h LYS 247 N 0.75 0.69 -0.65 2.37 1.57 -2.00 -1.75 116.57 117.55 3i80 h LYS 247 Ca 0.47 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3i80 h LYS 247 Cb 0.58 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3i80 h LYS 247 CO -0.32 0.91 0.09 -0.22 -0.57 0.00 0.00 179.45 179.34 3i80 h LYS 248 N 0.59 1.08 -0.12 3.15 3.64 -1.62 -1.63 116.57 121.67 3i80 h LYS 248 Ca 0.07 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3i80 h LYS 248 Cb 0.81 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3i80 h LYS 248 CO 0.07 1.01 0.05 0.28 -2.27 0.00 0.00 179.45 178.58 3i80 h VAL 249 N 1.00 1.14 -0.35 2.00 2.07 -1.09 0.12 116.25 121.14 3i80 h VAL 249 Ca 0.20 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.38 3i80 h VAL 249 Cb 0.46 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 3i80 h VAL 249 CO 0.02 0.12 -0.08 0.25 0.02 0.00 0.00 177.57 177.90 3i80 h LEU 250 N 0.04 -0.31 -0.95 2.57 5.85 -1.24 0.10 115.31 121.38 3i80 h LEU 250 Ca 0.04 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3i80 h LEU 250 Cb 0.15 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3i80 h LEU 250 CO -0.00 -0.11 0.62 -0.07 -0.34 0.00 0.00 178.44 178.54 3i80 h LEU 251 N 0.01 1.04 -0.49 2.25 3.38 -1.01 0.28 115.31 120.78 3i80 h LEU 251 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3i80 h LEU 251 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3i80 h LEU 251 CO -0.35 0.72 0.25 -0.08 0.09 0.00 0.00 178.44 179.07 3i80 h GLU 252 N 1.21 0.69 -0.92 1.13 4.57 0.01 -2.58 114.58 118.69 3i80 h GLU 252 Ca 0.38 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.48 3i80 h GLU 252 Cb -0.01 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 3i80 h GLU 252 CO -0.12 0.56 0.61 0.52 -1.18 0.00 0.00 179.01 179.40 3i80 h MET 253 N 0.64 1.21 0.00 1.92 2.86 -0.07 -2.37 114.93 119.13 3i80 h MET 253 Ca 0.17 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3i80 h MET 253 Cb 0.08 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.47 3i80 h MET 253 CO -0.02 0.80 0.00 0.54 1.06 0.00 0.00 176.91 179.29 3i80 n ARG 254 N -4.39 0.28 0.19 1.72 1.74 0.02 -1.35 116.66 114.86 3i80 n ARG 254 Ca 0.11 0.10 0.14 0.00 -0.77 0.00 0.00 57.85 57.43 3i80 n ARG 254 Cb 0.02 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.43 3i80 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i80 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.30 -3.34 116.57 119.06 3i80 h LYS 255 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3i80 h LYS 255 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3i80 h LYS 255 CO 0.00 0.00 -1.64 1.19 -0.57 0.00 0.00 179.45 178.43 3i80 n PHE 256 N -2.67 0.00 -3.68 -1.35 3.72 -0.46 -4.96 117.46 108.06 3i80 n PHE 256 Ca 0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 3i80 n PHE 256 Cb 0.35 -0.39 -0.09 0.00 -0.94 0.00 0.00 39.48 38.41 3i80 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i80 s ARG 257 N -2.61 0.59 0.49 -1.08 3.52 -1.18 -4.54 118.95 114.14 3i80 s ARG 257 Ca -0.05 0.82 -0.22 0.00 -0.13 0.00 0.00 55.73 56.15 3i80 s ARG 257 Cb 0.06 0.22 -0.07 0.00 -1.56 0.00 0.00 34.95 33.60 3i80 s ARG 257 CO 0.48 -0.10 1.16 0.00 -0.81 0.00 0.00 175.30 176.03 3i80 s MET 258 N 0.70 3.62 -0.28 5.12 0.23 -1.26 -4.21 119.30 123.21 3i80 s MET 258 Ca -0.03 1.73 0.00 0.00 -1.03 0.00 0.00 55.69 56.36 3i80 s MET 258 Cb -0.05 -2.28 0.00 0.00 -1.53 0.00 0.00 34.83 30.98 3i80 s MET 258 CO -0.05 -0.66 0.00 0.41 -2.03 0.00 0.00 175.02 172.69 3i80 n GLY 259 N 0.36 0.56 3.67 3.16 0.00 -1.26 -4.87 105.19 106.81 3i80 n GLY 259 Ca 0.09 -0.29 -0.48 0.00 0.00 0.00 0.00 46.02 45.34 3i80 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i80 n LEU 260 N -0.30 3.21 -1.58 0.99 4.77 -1.26 -4.04 117.00 118.79 3i80 n LEU 260 Ca -0.03 1.02 -0.00 0.00 -0.03 0.00 0.00 56.01 56.98 3i80 n LEU 260 Cb 0.18 -1.38 -0.00 0.00 -2.33 0.00 0.00 43.42 39.90 3i80 n LEU 260 CO 0.04 -0.19 -0.21 -0.38 -1.33 0.00 0.00 177.39 175.32 3i80 n ILE 261 N 4.38 -6.91 0.64 -0.08 5.41 0.12 -4.96 119.36 117.96 3i80 n ILE 261 Ca 0.20 1.35 0.11 0.00 1.00 0.00 0.00 62.75 65.42 3i80 n ILE 261 Cb 0.28 -4.34 -0.00 0.00 -0.71 0.00 0.00 39.64 34.87 3i80 n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i80 n GLN 262 N 0.78 0.24 -4.11 0.38 6.02 -1.26 -4.92 117.38 114.51 3i80 n GLN 262 Ca -0.00 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.89 3i80 n GLN 262 Cb 0.01 -1.56 -0.10 0.00 1.02 0.00 0.00 30.24 29.61 3i80 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3i80 s THR 263 N -3.17 0.28 0.27 5.09 -4.23 -1.26 -5.04 115.64 107.58 3i80 s THR 263 Ca 0.04 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 58.68 3i80 s THR 263 Cb 0.15 -1.62 0.16 0.00 1.34 0.00 0.00 72.50 72.53 3i80 s THR 263 CO 0.82 -0.90 1.82 0.00 -0.54 0.00 0.00 174.62 175.81 3i80 h ALA 264 N 3.08 1.19 -0.41 3.99 0.00 -1.93 -2.87 119.26 122.30 3i80 h ALA 264 Ca -0.34 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 3i80 h ALA 264 Cb 1.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3i80 h ALA 264 CO 0.65 0.56 -0.05 0.22 0.00 0.00 0.00 179.25 180.63 3i80 h ASP 265 N 0.87 0.67 -0.27 0.00 3.58 -1.96 0.10 116.42 119.41 3i80 h ASP 265 Ca 0.19 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 3i80 h ASP 265 Cb 0.28 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 3i80 h ASP 265 CO -0.01 0.77 0.01 1.56 -2.88 0.00 0.00 179.24 178.70 3i80 h GLN 266 N 0.65 0.58 -0.16 0.28 4.20 -1.84 0.28 115.11 119.10 3i80 h GLN 266 Ca 0.12 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3i80 h GLN 266 Cb 0.48 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3i80 h GLN 266 CO 0.02 0.59 -0.01 1.25 -0.67 0.00 0.00 178.83 180.02 3i80 h LEU 267 N 0.56 0.29 -0.56 1.46 5.85 -1.16 -1.83 115.31 119.91 3i80 h LEU 267 Ca 0.12 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3i80 h LEU 267 Cb 0.34 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3i80 h LEU 267 CO 0.01 0.54 0.29 -0.09 -0.34 0.00 0.00 178.44 178.85 3i80 h ARG 268 N 0.03 0.54 -0.91 1.25 2.43 -0.50 -1.70 114.38 115.52 3i80 h ARG 268 Ca 0.04 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3i80 h ARG 268 Cb 0.39 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 3i80 h ARG 268 CO 0.01 0.36 0.59 0.35 -1.51 0.00 0.00 179.97 179.77 3i80 h PHE 269 N 0.55 1.12 -0.32 2.20 3.57 -0.27 -2.23 116.94 121.56 3i80 h PHE 269 Ca 0.25 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.83 3i80 h PHE 269 Cb 0.16 -0.37 -0.05 0.00 2.79 0.00 0.00 35.95 38.47 3i80 h PHE 269 CO -0.10 0.66 0.01 0.77 -2.23 0.00 0.00 178.31 177.43 3i80 h SER 270 N 1.17 -0.10 -0.33 0.41 0.02 -0.44 0.23 113.55 114.51 3i80 h SER 270 Ca 0.35 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.44 3i80 h SER 270 Cb -0.05 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.53 3i80 h SER 270 CO -0.10 -0.01 -0.19 1.88 -1.14 0.00 0.00 176.83 177.26 3i80 h TYR 271 N 0.11 -0.49 -0.39 3.45 -1.99 -1.10 -0.18 116.97 116.38 3i80 h TYR 271 Ca 0.15 0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.99 3i80 h TYR 271 Cb 0.20 0.27 -0.06 0.00 2.00 0.00 0.00 36.73 39.14 3i80 h TYR 271 CO -0.22 -0.27 0.02 -0.07 -0.00 0.00 0.00 178.16 177.62 3i80 h LEU 272 N -0.15 -0.12 -0.57 3.88 3.38 -0.54 0.76 115.31 121.96 3i80 h LEU 272 Ca 0.17 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 3i80 h LEU 272 Cb 0.41 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3i80 h LEU 272 CO -0.42 -0.02 0.14 0.00 0.09 0.00 0.00 178.44 178.22 3i80 h ALA 273 N 1.33 0.75 -0.43 1.53 0.00 -0.07 -0.09 119.26 122.27 3i80 h ALA 273 Ca 0.19 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3i80 h ALA 273 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i80 h ALA 273 CO -0.30 0.45 -0.16 0.28 0.00 0.00 0.00 179.25 179.52 3i80 h VAL 274 N 0.81 1.28 -0.40 0.00 2.07 -0.74 0.14 116.25 119.41 3i80 h VAL 274 Ca 0.18 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 3i80 h VAL 274 Cb 0.35 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3i80 h VAL 274 CO 0.00 0.44 0.14 0.40 0.02 0.00 0.00 177.57 178.57 3i80 h ILE 275 N 0.70 1.20 -0.43 4.57 2.04 -0.59 -0.65 117.51 124.35 3i80 h ILE 275 Ca 0.10 -0.65 -0.11 0.00 1.00 0.00 0.00 64.86 65.21 3i80 h ILE 275 Cb 0.71 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3i80 h ILE 275 CO 0.05 0.23 -0.15 -0.08 0.00 0.00 0.00 178.15 178.21 3i80 h GLU 276 N 0.50 0.86 0.00 2.37 4.57 -0.98 -2.95 114.58 118.94 3i80 h GLU 276 Ca 0.13 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 57.93 3i80 h GLU 276 Cb 0.22 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3i80 h GLU 276 CO -0.01 0.99 -0.15 0.78 -1.18 0.00 0.00 179.01 179.44 3i80 h GLY 277 N 0.69 0.00 2.00 1.92 0.00 -0.75 -2.46 103.07 104.47 3i80 h GLY 277 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3i80 h GLY 277 CO 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.54 3i80 h ALA 278 N 1.85 1.44 -0.72 3.60 0.00 -0.93 -1.79 119.26 122.71 3i80 h ALA 278 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i80 h ALA 278 Cb 0.33 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3i80 h ALA 278 CO 0.02 0.06 0.47 0.87 0.00 0.00 0.00 179.25 180.68 3i80 h LYS 279 N 0.00 0.93 -0.14 0.00 1.57 -1.56 0.90 116.57 118.27 3i80 h LYS 279 Ca -0.00 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3i80 h LYS 279 Cb 0.13 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3i80 h LYS 279 CO 0.01 0.62 -0.04 0.35 -0.57 0.00 0.00 179.45 179.81 3i80 h PHE 280 N 0.96 0.32 -0.50 -1.35 3.57 -1.50 -1.68 116.94 116.76 3i80 h PHE 280 Ca 0.27 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3i80 h PHE 280 Cb -0.08 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3i80 h PHE 280 CO -0.03 0.57 0.20 0.82 -2.23 0.00 0.00 178.31 177.65 3i80 h ILE 281 N -0.03 1.18 -0.21 1.41 1.08 -1.24 -2.46 117.51 117.24 3i80 h ILE 281 Ca 0.04 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3i80 h ILE 281 Cb 0.48 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3i80 h ILE 281 CO 0.02 0.22 0.00 0.23 -0.69 0.00 0.00 178.15 177.93 3i80 n MET 282 N -4.35 2.15 0.00 2.37 2.81 0.29 -4.86 117.12 115.52 3i80 n MET 282 Ca 0.04 -1.03 0.00 0.00 -1.81 0.00 0.00 57.70 54.90 3i80 n MET 282 Cb 0.15 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 3i80 n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i80 n GLY 283 N 0.38 0.81 3.35 3.03 0.00 -0.93 -5.04 105.19 106.79 3i80 n GLY 283 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 3i80 n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i80 n ASP 284 N 0.00 5.42 -0.03 1.61 2.03 -0.63 -4.86 116.55 120.09 3i80 n ASP 284 Ca 0.00 -3.04 0.13 0.00 0.52 0.00 0.00 54.79 52.41 3i80 n ASP 284 Cb 0.00 -1.46 0.56 0.00 -0.72 0.00 0.00 41.12 39.49 3i80 n ASP 284 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3i80 h SER 285 N 6.73 0.25 0.65 1.67 0.02 -1.84 -2.36 113.55 118.67 3i80 h SER 285 Ca 0.26 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3i80 h SER 285 Cb 0.84 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3i80 h SER 285 CO 1.17 0.15 0.00 0.77 -1.14 0.00 0.00 176.83 177.78 3i80 h SER 286 N 0.28 0.00 0.57 3.07 4.64 -1.96 -2.98 113.55 117.16 3i80 h SER 286 Ca 0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 3i80 h SER 286 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3i80 h SER 286 CO -0.05 0.00 -0.18 1.62 -0.87 0.00 0.00 176.83 177.35 3i80 h VAL 287 N 0.00 0.61 -0.69 0.95 3.04 -1.80 -2.42 116.25 115.93 3i80 h VAL 287 Ca 0.00 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.87 3i80 h VAL 287 Cb 0.33 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 3i80 h VAL 287 CO 0.00 0.18 0.39 -0.61 -1.01 0.00 0.00 177.57 176.51 3i80 h GLN 288 N 0.00 0.96 -0.34 4.17 4.15 -1.74 -1.59 115.11 120.72 3i80 h GLN 288 Ca -0.00 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 3i80 h GLN 288 Cb 0.51 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3i80 h GLN 288 CO 0.02 0.71 -0.08 -0.44 -1.93 0.00 0.00 178.83 177.11 3i80 h ASP 289 N 0.95 0.55 -0.72 -0.69 3.32 -1.64 -2.16 116.42 116.03 3i80 h ASP 289 Ca 0.25 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3i80 h ASP 289 Cb 0.02 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3i80 h ASP 289 CO -0.04 0.68 0.27 1.56 -1.72 0.00 0.00 179.24 179.98 3i80 h GLN 290 N 0.53 1.11 -0.45 3.56 4.20 -1.22 -1.76 115.11 121.08 3i80 h GLN 290 Ca 0.10 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3i80 h GLN 290 Cb 0.47 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3i80 h GLN 290 CO 0.02 0.92 0.13 -1.49 -0.67 0.00 0.00 178.83 177.74 3i80 h TRP 291 N 1.07 0.73 -0.51 2.96 6.55 -0.98 0.43 115.95 126.21 3i80 h TRP 291 Ca 0.24 -0.08 0.03 0.00 0.95 0.00 0.00 58.89 60.04 3i80 h TRP 291 Cb 0.24 -0.21 -0.04 0.00 -0.86 0.00 0.00 29.16 28.30 3i80 h TRP 291 CO 0.02 0.66 0.28 -0.22 -1.05 0.00 0.00 178.44 178.13 3i80 h LYS 292 N 0.58 0.53 0.61 0.49 3.64 -1.11 -0.58 116.57 120.73 3i80 h LYS 292 Ca 0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3i80 h LYS 292 Cb 0.28 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3i80 h LYS 292 CO -0.00 0.35 -0.29 0.93 -2.27 0.00 0.00 179.45 178.17 3i80 h GLU 293 N 0.55 -0.79 -0.11 1.90 4.39 -1.12 -2.93 114.58 116.46 3i80 h GLU 293 Ca 0.21 0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.00 3i80 h GLU 293 Cb 0.08 0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3i80 h GLU 293 CO -0.13 -0.47 0.44 -0.07 -1.16 0.00 0.00 179.01 177.62 3i80 h LEU 294 N -1.08 0.00 0.00 1.33 3.38 -0.81 -0.48 115.31 117.65 3i80 h LEU 294 Ca -0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3i80 h LEU 294 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3i80 h LEU 294 CO 0.14 0.00 -0.90 0.77 0.09 0.00 0.00 178.44 178.53 3i80 h SER 295 N 0.00 0.00 -6.08 -0.43 4.64 -0.92 -3.46 113.55 107.30 3i80 h SER 295 Ca 0.05 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.96 3i80 h SER 295 Cb 0.92 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.08 3i80 h SER 295 CO -0.00 0.18 -0.87 1.41 -0.87 0.00 0.00 176.83 176.68 3i80 n HIS 296 N -2.84 -1.95 0.56 4.77 8.25 -0.19 -4.87 115.22 118.95 3i80 n HIS 296 Ca -0.01 0.74 0.11 0.00 -0.26 0.00 0.00 57.72 58.29 3i80 n HIS 296 Cb 0.63 -4.07 0.44 0.00 1.12 0.00 0.00 29.99 28.12 3i80 n HIS 296 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3i80 n GLU 297 N -4.14 0.12 -2.80 -0.41 0.28 -1.26 -4.63 120.64 107.81 3i80 n GLU 297 Ca -0.22 0.27 -0.41 0.00 -0.16 0.00 0.00 57.16 56.63 3i80 n GLU 297 Cb 0.65 -1.70 -0.04 0.00 1.43 0.00 0.00 31.44 31.79 3i80 n GLU 297 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i80 s ASP 298 N -3.77 7.30 0.00 -1.84 1.01 -1.26 -0.79 116.67 117.32 3i80 s ASP 298 Ca 0.08 1.56 0.00 0.00 0.71 0.00 0.00 52.55 54.90 3i80 s ASP 298 Cb 0.11 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.51 3i80 s ASP 298 CO 0.42 -0.19 0.00 0.18 0.21 0.00 0.00 175.17 175.79