#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbr h MET 3 N 0.00 0.43 -0.55 5.31 -0.00 -1.87 -1.09 114.93 117.16 2qbr h MET 3 Ca 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 59.70 59.59 2qbr h MET 3 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 31.48 2qbr h MET 3 CO 0.00 0.29 0.02 1.49 -0.00 0.00 0.00 176.91 178.70 2qbr h GLU 4 N 0.44 0.97 -0.10 -0.10 4.81 -1.98 0.57 114.58 119.19 2qbr h GLU 4 Ca 0.43 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2qbr h GLU 4 Cb 0.66 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2qbr h GLU 4 CO -0.41 0.96 -0.09 0.87 -0.73 0.00 0.00 179.01 179.61 2qbr h LYS 5 N 0.85 0.24 -0.91 1.92 1.57 -1.95 -2.88 116.57 115.41 2qbr h LYS 5 Ca 0.16 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2qbr h LYS 5 Cb 0.52 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2qbr h LYS 5 CO 0.03 0.65 0.59 1.49 -0.57 0.00 0.00 179.45 181.63 2qbr h GLU 6 N -0.16 0.99 -0.74 3.15 4.81 -1.14 -1.25 114.58 120.24 2qbr h GLU 6 Ca 0.02 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2qbr h GLU 6 Cb 0.60 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 2qbr h GLU 6 CO 0.02 0.66 0.43 0.35 -0.73 0.00 0.00 179.01 179.74 2qbr h PHE 7 N 1.02 0.98 -0.15 0.92 3.04 -0.77 -0.55 116.94 121.43 2qbr h PHE 7 Ca 0.40 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.32 2qbr h PHE 7 Cb 0.23 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 2qbr h PHE 7 CO -0.00 0.66 0.01 0.93 -2.02 0.00 0.00 178.31 177.89 2qbr h GLU 8 N 1.02 0.27 -0.60 1.11 4.39 -1.03 -1.44 114.58 118.30 2qbr h GLU 8 Ca 0.26 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 2qbr h GLU 8 Cb -0.02 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 2qbr h GLU 8 CO -0.05 0.48 0.19 0.37 -1.16 0.00 0.00 179.01 178.84 2qbr h GLN 9 N 0.02 0.92 -0.16 2.33 4.15 -1.09 0.61 115.11 121.89 2qbr h GLN 9 Ca 0.04 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 59.15 2qbr h GLN 9 Cb 0.35 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2qbr h GLN 9 CO 0.01 0.82 -0.41 0.82 -1.93 0.00 0.00 178.83 178.14 2qbr h ILE 10 N 0.84 1.31 0.00 2.39 2.04 -1.12 -2.22 117.51 120.75 2qbr h ILE 10 Ca 0.19 -1.55 -0.10 0.00 1.00 0.00 0.00 64.86 64.41 2qbr h ILE 10 Cb 0.28 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2qbr h ILE 10 CO -0.01 0.47 -0.65 -0.78 0.00 0.00 0.00 178.15 177.18 2qbr h ASP 11 N 0.30 0.00 0.30 1.72 3.58 -0.96 -0.56 116.42 120.81 2qbr h ASP 11 Ca 0.03 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.16 2qbr h ASP 11 Cb 0.85 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.93 2qbr h ASP 11 CO 0.07 0.41 -1.39 0.50 -2.88 0.00 0.00 179.24 175.95 2qbr h LYS 12 N 0.00 0.51 -0.64 0.28 3.64 0.33 -3.23 116.57 117.46 2qbr h LYS 12 Ca -0.03 -0.82 0.00 0.00 -1.27 0.00 0.00 60.65 58.52 2qbr h LYS 12 Cb 1.34 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 2qbr h LYS 12 CO 0.05 1.39 0.00 -1.13 -2.27 0.00 0.00 179.45 177.49 2qbr n SER 13 N -3.70 3.89 -3.93 4.20 3.41 -0.85 -4.96 113.62 111.68 2qbr n SER 13 Ca -0.15 -2.42 -0.30 0.00 -0.26 0.00 0.00 58.87 55.74 2qbr n SER 13 Cb 1.07 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 2qbr n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbr n GLY 14 N 0.81 -0.56 1.21 5.00 0.00 -0.94 -4.85 105.19 105.86 2qbr n GLY 14 Ca 0.20 0.23 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 2qbr n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbr n SER 15 N -1.08 2.74 -0.01 1.61 3.41 -0.26 -4.78 113.62 115.25 2qbr n SER 15 Ca -0.08 -3.67 -0.03 0.00 -0.26 0.00 0.00 58.87 54.84 2qbr n SER 15 Cb 0.37 -0.45 0.22 0.00 -0.26 0.00 0.00 64.21 64.09 2qbr n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2qbr h TRP 16 N 1.45 0.60 -0.68 7.33 4.06 -1.89 -2.08 115.95 124.74 2qbr h TRP 16 Ca 0.10 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2qbr h TRP 16 Cb 1.25 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 29.22 2qbr h TRP 16 CO 0.74 0.67 0.37 0.00 -3.56 0.00 0.00 178.44 176.66 2qbr h ALA 17 N 1.34 0.87 0.02 1.49 0.00 -1.91 0.11 119.26 121.19 2qbr h ALA 17 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qbr h ALA 17 Cb 0.55 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qbr h ALA 17 CO 0.04 0.40 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 2qbr h ALA 18 N 1.18 -0.03 -0.66 0.00 0.00 -1.89 -0.69 119.26 117.18 2qbr h ALA 18 Ca 0.24 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2qbr h ALA 18 Cb 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2qbr h ALA 18 CO -0.04 -0.29 0.28 0.82 0.00 0.00 0.00 179.25 180.02 2qbr h ILE 19 N -0.47 0.79 -0.67 0.00 1.08 -1.26 0.14 117.51 117.12 2qbr h ILE 19 Ca -0.00 -0.16 -0.06 0.00 -0.39 0.00 0.00 64.86 64.24 2qbr h ILE 19 Cb 0.45 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 2qbr h ILE 19 CO 0.00 0.09 0.18 0.22 -0.69 0.00 0.00 178.15 177.95 2qbr h TYR 20 N 0.48 1.12 -0.52 1.37 3.20 -0.71 -2.75 116.97 119.15 2qbr h TYR 20 Ca 0.33 -0.13 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 2qbr h TYR 20 Cb 0.40 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2qbr h TYR 20 CO -0.15 0.91 -0.01 1.96 -1.64 0.00 0.00 178.16 179.24 2qbr h GLN 21 N 1.00 0.89 -0.92 1.82 1.08 0.03 -2.63 115.11 116.39 2qbr h GLN 21 Ca 0.21 -0.26 0.11 0.00 -1.45 0.00 0.00 58.65 57.26 2qbr h GLN 21 Cb 0.35 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.61 2qbr h GLN 21 CO -0.00 0.90 0.56 -0.44 -0.95 0.00 0.00 178.83 178.89 2qbr h ASP 22 N 0.82 0.81 -0.65 1.46 3.32 -0.48 -0.66 116.42 121.04 2qbr h ASP 22 Ca 0.15 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2qbr h ASP 22 Cb 0.51 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2qbr h ASP 22 CO 0.03 0.45 0.19 0.40 -1.72 0.00 0.00 179.24 178.58 2qbr h ILE 23 N 0.91 1.25 -0.76 0.35 2.04 -1.30 -1.80 117.51 118.20 2qbr h ILE 23 Ca 0.45 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2qbr h ILE 23 Cb 0.42 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2qbr h ILE 23 CO -0.25 0.34 0.39 0.03 0.00 0.00 0.00 178.15 178.66 2qbr h ARG 24 N 0.96 1.07 -0.32 2.37 3.08 -0.96 -0.13 114.38 120.44 2qbr h ARG 24 Ca 0.21 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2qbr h ARG 24 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2qbr h ARG 24 CO -0.00 0.80 0.09 1.25 -1.07 0.00 0.00 179.97 181.04 2qbr h HIS 25 N 1.07 0.53 0.00 3.04 2.76 -0.73 -3.09 115.15 118.72 2qbr h HIS 25 Ca 0.27 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2qbr h HIS 25 Cb 0.06 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.87 2qbr h HIS 25 CO 0.01 0.54 -0.14 0.39 -1.30 0.00 0.00 177.93 177.43 2qbr n GLU 26 N -4.66 0.27 -1.59 5.26 -0.58 -0.72 -4.94 120.64 113.68 2qbr n GLU 26 Ca -0.02 0.19 -0.43 0.00 -0.42 0.00 0.00 57.16 56.48 2qbr n GLU 26 Cb 0.18 -1.78 -0.00 0.00 -0.57 0.00 0.00 31.44 29.26 2qbr n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbr n ALA 27 N -1.80 -0.11 -1.39 0.62 0.00 -0.08 -4.93 120.51 112.82 2qbr n ALA 27 Ca 0.05 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 2qbr n ALA 27 Cb 0.43 -2.03 0.09 0.00 0.00 0.00 0.00 19.45 17.94 2qbr n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qbr s SER 28 N -0.65 4.21 -0.07 0.00 0.01 -1.26 -5.03 113.70 110.91 2qbr s SER 28 Ca 0.60 2.39 -0.01 0.00 1.31 0.00 0.00 55.95 60.24 2qbr s SER 28 Cb -0.63 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.03 2qbr s SER 28 CO 0.59 -2.26 0.01 -0.62 0.41 0.00 0.00 173.24 171.37 2qbr s ASP 29 N -1.96 1.53 0.14 2.44 2.15 -1.26 -4.94 116.67 114.76 2qbr s ASP 29 Ca 0.75 -0.07 0.01 0.00 0.43 0.00 0.00 52.55 53.67 2qbr s ASP 29 Cb -0.30 -0.41 -0.04 0.00 -0.30 0.00 0.00 42.92 41.86 2qbr s ASP 29 CO 0.45 -0.19 -0.00 -0.36 -0.17 0.00 0.00 175.17 174.89 2qbr s PHE 30 N 1.96 1.01 0.48 -5.34 0.08 -1.26 -5.14 117.98 109.77 2qbr s PHE 30 Ca 0.05 -1.05 -0.21 0.00 0.12 0.00 0.00 56.93 55.84 2qbr s PHE 30 Cb -0.12 -0.58 -0.08 0.00 -0.57 0.00 0.00 43.02 41.66 2qbr s PHE 30 CO -0.05 -0.28 1.06 -1.25 -0.10 0.00 0.00 175.22 174.60 2qbr s PRO 31 N -3.93 3.78 -0.45 0.24 0.04 -1.26 -4.90 135.00 128.53 2qbr s PRO 31 Ca 0.20 1.44 0.09 0.00 0.04 0.00 0.00 61.00 62.77 2qbr s PRO 31 Cb 0.06 -2.16 0.33 0.00 0.04 0.00 0.00 34.50 32.78 2qbr s PRO 31 CO 0.00 -0.46 0.77 0.00 0.04 0.00 0.00 177.00 177.36 2qbr h ARG 33 N 3.18 0.47 -0.38 0.00 3.08 -1.94 -3.01 114.38 115.79 2qbr h ARG 33 Ca 0.11 -0.80 -0.13 0.00 0.07 0.00 0.00 59.98 59.23 2qbr h ARG 33 Cb 0.80 0.30 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2qbr h ARG 33 CO 0.61 1.38 -0.29 -0.24 -1.07 0.00 0.00 179.97 180.37 2qbr h VAL 34 N 0.03 1.28 -0.01 2.04 3.04 -1.92 -2.60 116.25 118.11 2qbr h VAL 34 Ca -0.26 -1.44 0.00 0.00 -1.01 0.00 0.00 66.70 63.99 2qbr h VAL 34 Cb 2.06 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 32.63 2qbr h VAL 34 CO 0.23 0.48 0.01 0.00 -1.01 0.00 0.00 177.57 177.28 2qbr h ALA 35 N 0.97 1.93 -0.01 3.17 0.00 -1.84 -1.57 119.26 121.90 2qbr h ALA 35 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qbr h ALA 35 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qbr h ALA 35 CO 0.07 -0.01 -0.11 1.63 0.00 0.00 0.00 179.25 180.83 2qbr n LYS 36 N -4.42 1.29 -1.92 0.00 4.76 -1.00 -4.66 118.16 112.21 2qbr n LYS 36 Ca -0.03 -0.75 -0.41 0.00 -2.87 0.00 0.00 58.31 54.25 2qbr n LYS 36 Cb 0.10 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.79 2qbr n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qbr s LEU 37 N -2.23 4.33 0.41 -0.35 1.43 -0.59 -4.89 118.68 116.80 2qbr s LEU 37 Ca 0.32 2.91 0.17 0.00 -1.03 0.00 0.00 54.13 56.50 2qbr s LEU 37 Cb 0.20 -3.69 1.07 0.00 0.03 0.00 0.00 46.19 43.80 2qbr s LEU 37 CO 0.42 -0.78 1.85 -0.65 0.23 0.00 0.00 176.35 177.42 2qbr h PRO 38 N 3.06 0.41 0.00 1.29 0.11 -1.91 -0.39 132.00 134.57 2qbr h PRO 38 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qbr h PRO 38 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qbr h PRO 38 CO 0.64 0.27 0.00 0.36 -0.21 0.00 0.00 178.00 179.06 2qbr n LYS 39 N -4.52 0.18 -0.34 1.05 2.85 -1.26 -2.62 118.16 113.51 2qbr n LYS 39 Ca 0.19 0.41 0.08 0.00 -1.05 0.00 0.00 58.31 57.94 2qbr n LYS 39 Cb 0.69 -1.85 0.24 0.00 -0.65 0.00 0.00 35.03 33.46 2qbr n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2qbr n ASN 40 N -2.19 3.63 -0.05 -5.58 3.02 -0.16 -4.57 115.26 109.36 2qbr n ASN 40 Ca 0.02 -2.23 -0.10 0.00 -0.03 0.00 0.00 54.58 52.24 2qbr n ASN 40 Cb 0.23 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.97 2qbr n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2qbr h LYS 41 N 2.84 0.28 0.00 3.52 3.64 -1.50 -2.04 116.57 123.31 2qbr h LYS 41 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2qbr h LYS 41 Cb 1.03 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2qbr h LYS 41 CO 0.08 0.23 0.00 0.27 -2.27 0.00 0.00 179.45 177.76 2qbr n ASN 42 N -4.91 0.00 -1.00 4.20 0.23 -1.26 -2.68 115.26 109.84 2qbr n ASN 42 Ca -0.03 -0.93 0.11 0.00 -0.53 0.00 0.00 54.58 53.20 2qbr n ASN 42 Cb 0.05 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 37.92 2qbr n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2qbr n ARG 43 N -0.88 2.27 -4.80 -3.83 1.74 -0.77 -4.91 116.66 105.49 2qbr n ARG 43 Ca 0.13 -2.07 -0.33 0.00 -0.77 0.00 0.00 57.85 54.82 2qbr n ARG 43 Cb 0.06 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 29.90 2qbr n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2qbr s ASN 44 N -1.53 3.79 0.13 0.55 0.01 -1.09 -4.47 114.94 112.33 2qbr s ASN 44 Ca 0.32 -0.39 -0.09 0.00 -0.71 0.00 0.00 52.86 51.99 2qbr s ASN 44 Cb 0.20 -1.57 -0.09 0.00 0.41 0.00 0.00 41.25 40.20 2qbr s ASN 44 CO 0.28 0.15 1.35 -0.09 -1.51 0.00 0.00 177.10 177.28 2qbr h ARG 45 N 6.82 0.68 -4.92 -0.60 2.43 -1.90 -3.44 114.38 113.47 2qbr h ARG 45 Ca -0.26 -0.55 -0.61 0.00 -0.81 0.00 0.00 59.98 57.75 2qbr h ARG 45 Cb 1.21 0.11 -0.34 0.00 -0.42 0.00 0.00 29.97 30.54 2qbr h ARG 45 CO 0.54 1.17 -0.85 0.71 -1.51 0.00 0.00 179.97 180.03 2qbr s TYR 46 N -3.73 2.11 0.25 2.20 2.02 -1.26 -5.03 117.35 113.92 2qbr s TYR 46 Ca -0.09 -0.93 -0.04 0.00 -0.37 0.00 0.00 57.07 55.64 2qbr s TYR 46 Cb 0.09 -1.48 0.39 0.00 -0.40 0.00 0.00 41.96 40.57 2qbr s TYR 46 CO 0.89 -0.44 1.85 -0.09 -1.57 0.00 0.00 175.55 176.19 2qbr h ARG 47 N 7.12 0.95 -0.18 -0.62 2.43 -1.97 -2.64 114.38 119.47 2qbr h ARG 47 Ca -0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2qbr h ARG 47 Cb 1.20 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2qbr h ARG 47 CO 0.49 0.63 0.00 -0.25 -1.51 0.00 0.00 179.97 179.33 2qbr n ASP 48 N -4.62 1.66 -4.01 -3.80 8.00 -1.26 -4.74 116.55 107.77 2qbr n ASP 48 Ca 0.14 -1.74 -0.31 0.00 0.71 0.00 0.00 54.79 53.59 2qbr n ASP 48 Cb 0.22 -0.12 -0.15 0.00 -0.02 0.00 0.00 41.12 41.05 2qbr n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qbr s VAL 49 N -1.76 2.02 0.07 2.53 1.01 -0.99 -5.10 120.40 118.17 2qbr s VAL 49 Ca 0.31 -1.79 0.02 0.00 0.00 0.00 0.00 61.98 60.52 2qbr s VAL 49 Cb 0.17 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2qbr s VAL 49 CO 0.25 -0.27 -0.08 -0.44 0.00 0.00 0.00 175.10 174.56 2qbr s SER 50 N 1.11 1.02 0.22 3.32 0.01 -1.26 -4.65 113.70 113.48 2qbr s SER 50 Ca -0.01 -0.73 -0.28 0.00 1.31 0.00 0.00 55.95 56.25 2qbr s SER 50 Cb -0.19 0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.00 2qbr s SER 50 CO -0.07 -0.30 0.88 -2.16 0.41 0.00 0.00 173.24 172.00 2qbr s PRO 51 N -2.46 4.71 0.56 12.44 0.04 -1.26 -4.59 135.00 144.44 2qbr s PRO 51 Ca -0.01 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 2qbr s PRO 51 Cb -0.04 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2qbr s PRO 51 CO -0.01 0.51 1.18 -0.06 0.04 0.00 0.00 177.00 178.66 2qbr s PHE 52 N -1.22 2.54 0.31 0.56 0.08 -1.26 -4.61 117.98 114.38 2qbr s PHE 52 Ca 0.40 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.97 2qbr s PHE 52 Cb -0.24 -3.42 0.49 0.00 -0.57 0.00 0.00 43.02 39.27 2qbr s PHE 52 CO 0.29 -1.94 1.88 -0.44 -0.10 0.00 0.00 175.22 174.91 2qbr h ASP 53 N 1.18 0.73 0.96 1.36 3.32 -1.61 -1.96 116.42 120.40 2qbr h ASP 53 Ca -0.50 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.41 2qbr h ASP 53 Cb 1.28 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 2qbr h ASP 53 CO 0.57 0.67 -0.16 1.12 -1.72 0.00 0.00 179.24 179.72 2qbr h HIS 54 N 0.78 0.00 0.00 4.55 2.07 -1.92 -3.28 115.15 117.35 2qbr h HIS 54 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 2qbr h HIS 54 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 2qbr h HIS 54 CO 0.01 0.16 0.00 -1.13 -3.07 0.00 0.00 177.93 173.91 2qbr n SER 55 N -3.32 1.63 -4.77 3.10 3.41 -1.15 -5.06 113.62 107.47 2qbr n SER 55 Ca 0.00 -1.66 -0.37 0.00 -0.26 0.00 0.00 58.87 56.57 2qbr n SER 55 Cb 0.40 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 2qbr n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbr s ARG 56 N -0.66 3.94 0.10 4.33 1.70 -0.75 -0.12 118.95 127.50 2qbr s ARG 56 Ca 0.00 1.74 -0.30 0.00 -0.47 0.00 0.00 55.73 56.70 2qbr s ARG 56 Cb 0.00 -2.52 -0.06 0.00 -0.57 0.00 0.00 34.95 31.80 2qbr s ARG 56 CO 0.00 -0.38 0.99 0.42 -1.08 0.00 0.00 175.30 175.25 2qbr s ILE 57 N -1.53 4.45 -0.19 4.99 -1.09 -0.50 -4.80 121.20 122.52 2qbr s ILE 57 Ca 0.60 1.99 -0.06 0.00 -2.23 0.00 0.00 60.65 60.96 2qbr s ILE 57 Cb -0.28 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.30 2qbr s ILE 57 CO 0.34 0.29 0.02 -0.54 -1.23 0.00 0.00 174.94 173.82 2qbr s LYS 58 N 0.11 3.75 0.40 2.79 1.02 -1.26 -4.23 119.74 122.32 2qbr s LYS 58 Ca 0.48 -0.46 -0.25 0.00 0.02 0.00 0.00 55.97 55.76 2qbr s LYS 58 Cb -0.24 -3.10 -0.08 0.00 -0.52 0.00 0.00 37.83 33.88 2qbr s LYS 58 CO 0.30 0.14 1.20 -0.51 -0.92 0.00 0.00 175.35 175.56 2qbr s LEU 59 N 0.69 4.20 -1.30 3.17 1.43 -0.38 -4.90 118.68 121.58 2qbr s LEU 59 Ca 0.01 2.42 -0.07 0.00 -1.03 0.00 0.00 54.13 55.45 2qbr s LEU 59 Cb -0.14 -3.99 -0.00 0.00 0.03 0.00 0.00 46.19 42.09 2qbr s LEU 59 CO 0.02 -0.72 2.75 1.41 0.23 0.00 0.00 176.35 180.04 2qbr n HIS 60 N 0.09 2.27 -4.02 0.29 8.25 -1.26 -4.61 115.22 116.22 2qbr n HIS 60 Ca 0.04 -2.79 -0.11 0.00 -0.26 0.00 0.00 57.72 54.60 2qbr n HIS 60 Cb 0.46 -2.08 -0.12 0.00 1.12 0.00 0.00 29.99 29.38 2qbr n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2qbr s GLN 61 N 0.39 0.40 0.27 -0.41 -2.07 -1.26 -5.05 119.66 111.93 2qbr s GLN 61 Ca 0.62 -0.62 0.15 0.00 -1.82 0.00 0.00 55.36 53.69 2qbr s GLN 61 Cb 0.21 -0.12 0.05 0.00 -1.09 0.00 0.00 33.01 32.05 2qbr s GLN 61 CO -0.08 0.01 1.43 0.93 -1.32 0.00 0.00 175.29 176.25 2qbr h GLU 62 N 4.75 0.00 0.00 9.60 5.08 -2.03 -3.37 114.58 128.62 2qbr h GLU 62 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2qbr h GLU 62 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qbr h GLU 62 CO 0.42 0.52 0.00 -3.47 -1.00 0.00 0.00 179.01 175.48 2qbr n ASP 63 N -3.23 0.00 -3.67 1.42 2.03 -1.26 -4.79 116.55 107.05 2qbr n ASP 63 Ca 0.02 0.70 -0.15 0.00 0.52 0.00 0.00 54.79 55.87 2qbr n ASP 63 Cb 0.75 -0.20 -0.15 0.00 -0.72 0.00 0.00 41.12 40.81 2qbr n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2qbr s ASN 64 N -2.18 0.50 -0.14 1.67 3.84 -1.26 -5.05 114.94 112.32 2qbr s ASN 64 Ca 0.00 0.43 0.13 0.00 0.21 0.00 0.00 52.86 53.63 2qbr s ASN 64 Cb 0.00 0.42 0.62 0.00 -0.55 0.00 0.00 41.25 41.73 2qbr s ASN 64 CO 0.00 -0.23 1.47 -0.90 -2.79 0.00 0.00 177.10 174.65 2qbr n ASP 65 N 5.19 4.35 -4.75 -4.21 5.68 -1.26 -4.81 116.55 116.74 2qbr n ASP 65 Ca -0.08 -2.55 -0.38 0.00 -0.50 0.00 0.00 54.79 51.28 2qbr n ASP 65 Cb 0.50 -0.58 -0.06 0.00 -1.14 0.00 0.00 41.12 39.84 2qbr n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2qbr s TYR 66 N -2.10 3.57 0.01 2.11 5.04 -1.26 -1.25 117.35 123.48 2qbr s TYR 66 Ca 0.42 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.99 2qbr s TYR 66 Cb 0.30 -2.50 -0.01 0.00 0.35 0.00 0.00 41.96 40.10 2qbr s TYR 66 CO 0.16 0.29 -0.02 -1.50 -1.34 0.00 0.00 175.55 173.14 2qbr s ILE 67 N 0.18 0.10 -1.23 3.14 2.07 -1.26 -4.89 121.20 119.30 2qbr s ILE 67 Ca 0.26 -0.47 -0.20 0.00 -1.41 0.00 0.00 60.65 58.83 2qbr s ILE 67 Cb -0.16 -0.17 0.03 0.00 0.13 0.00 0.00 42.46 42.30 2qbr s ILE 67 CO 0.11 -0.24 1.76 0.21 -1.91 0.00 0.00 174.94 174.88 2qbr s ASN 68 N -0.74 6.35 -0.08 4.50 3.84 -1.26 -4.65 114.94 122.91 2qbr s ASN 68 Ca -0.08 -2.12 -0.12 0.00 0.21 0.00 0.00 52.86 50.75 2qbr s ASN 68 Cb -0.05 -2.58 0.03 0.00 -0.55 0.00 0.00 41.25 38.10 2qbr s ASN 68 CO -0.00 -1.68 0.31 0.00 -2.79 0.00 0.00 177.10 172.94 2qbr s ALA 69 N 5.99 -0.77 0.03 1.71 0.00 -1.26 -2.88 121.76 124.58 2qbr s ALA 69 Ca 0.57 0.66 0.07 0.00 0.00 0.00 0.00 51.96 53.26 2qbr s ALA 69 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 2qbr s ALA 69 CO 0.07 -0.19 -0.19 -1.12 0.00 0.00 0.00 175.76 174.32 2qbr s SER 70 N -0.42 2.30 -0.47 0.00 0.01 0.51 -1.42 113.70 114.22 2qbr s SER 70 Ca -0.05 -0.48 -0.18 0.00 1.31 0.00 0.00 55.95 56.55 2qbr s SER 70 Cb -0.04 -0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.04 2qbr s SER 70 CO 0.02 0.15 0.53 -0.22 0.41 0.00 0.00 173.24 174.13 2qbr s LEU 71 N -1.04 5.01 -0.75 2.44 2.96 0.83 -1.19 118.68 126.94 2qbr s LEU 71 Ca 0.07 -0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 52.93 2qbr s LEU 71 Cb -0.08 -2.41 0.12 0.00 0.50 0.00 0.00 46.19 44.32 2qbr s LEU 71 CO 0.01 -0.75 0.90 -0.63 -1.32 0.00 0.00 176.35 174.57 2qbr s ILE 72 N 2.33 4.82 -0.46 6.68 1.09 0.67 -4.90 121.20 131.42 2qbr s ILE 72 Ca 0.13 -1.31 -0.19 0.00 -1.10 0.00 0.00 60.65 58.19 2qbr s ILE 72 Cb -0.19 -4.62 0.04 0.00 -1.06 0.00 0.00 42.46 36.63 2qbr s ILE 72 CO 0.12 -1.30 0.57 -0.75 -0.10 0.00 0.00 174.94 173.48 2qbr s LYS 73 N 2.55 3.14 -0.87 2.79 2.20 -1.26 -2.03 119.74 126.27 2qbr s LYS 73 Ca 0.21 -0.75 -0.19 0.00 -0.36 0.00 0.00 55.97 54.88 2qbr s LYS 73 Cb -0.14 -4.03 0.13 0.00 -1.51 0.00 0.00 37.83 32.28 2qbr s LYS 73 CO -0.01 -1.06 1.06 -1.64 -0.36 0.00 0.00 175.35 173.34 2qbr s MET 74 N 2.49 3.50 0.14 4.03 -1.94 -0.97 -4.92 119.30 121.64 2qbr s MET 74 Ca 0.16 -1.66 -0.26 0.00 -1.71 0.00 0.00 55.69 52.22 2qbr s MET 74 Cb -0.18 -4.76 -0.02 0.00 2.01 0.00 0.00 34.83 31.89 2qbr s MET 74 CO 0.14 -1.73 1.61 1.49 -0.01 0.00 0.00 175.02 176.51 2qbr h GLU 75 N 8.89 -0.38 -0.17 2.03 4.81 -1.94 0.30 114.58 128.12 2qbr h GLU 75 Ca 0.07 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2qbr h GLU 75 Cb 1.04 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2qbr h GLU 75 CO 1.09 -0.25 0.02 1.49 -0.73 0.00 0.00 179.01 180.63 2qbr h GLU 76 N -0.40 0.09 0.00 1.92 4.81 -1.97 -2.55 114.58 116.48 2qbr h GLU 76 Ca 0.10 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2qbr h GLU 76 Cb 0.56 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2qbr h GLU 76 CO -0.38 0.06 -0.27 0.00 -0.73 0.00 0.00 179.01 177.69 2qbr h ALA 77 N 1.12 1.03 -4.29 2.92 0.00 -1.90 -3.48 119.26 114.66 2qbr h ALA 77 Ca 0.07 -0.24 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 2qbr h ALA 77 Cb 0.07 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 17.92 2qbr h ALA 77 CO -0.11 0.33 -0.47 1.04 0.00 0.00 0.00 179.25 180.05 2qbr n GLN 78 N -3.45 -5.23 -3.81 0.00 6.02 0.10 -4.91 117.38 106.10 2qbr n GLN 78 Ca -0.00 0.56 -0.13 0.00 -0.01 0.00 0.00 57.00 57.42 2qbr n GLN 78 Cb 0.45 -4.78 -0.14 0.00 1.02 0.00 0.00 30.24 26.79 2qbr n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2qbr s ARG 79 N -5.73 0.06 0.05 -1.09 3.52 -1.17 -4.96 118.95 109.62 2qbr s ARG 79 Ca 0.33 0.17 0.08 0.00 -0.13 0.00 0.00 55.73 56.18 2qbr s ARG 79 Cb -0.15 -0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.15 2qbr s ARG 79 CO 0.49 -0.07 -0.20 -1.12 -0.81 0.00 0.00 175.30 173.59 2qbr s SER 80 N 0.47 3.69 0.10 -2.12 0.01 -1.26 -2.28 113.70 112.31 2qbr s SER 80 Ca -0.04 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.81 2qbr s SER 80 Cb -0.05 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 2qbr s SER 80 CO -0.02 0.25 -0.12 -0.31 0.41 0.00 0.00 173.24 173.45 2qbr s TYR 81 N -0.92 1.22 -0.25 2.43 1.51 -0.86 -3.86 117.35 116.61 2qbr s TYR 81 Ca 0.14 -0.57 -0.03 0.00 -1.01 0.00 0.00 57.07 55.60 2qbr s TYR 81 Cb -0.10 -0.66 0.02 0.00 -0.11 0.00 0.00 41.96 41.11 2qbr s TYR 81 CO 0.05 0.07 -0.03 0.42 -1.11 0.00 0.00 175.55 174.94 2qbr s ILE 82 N -2.05 3.11 -0.19 2.71 1.01 -0.31 -0.24 121.20 125.25 2qbr s ILE 82 Ca 0.05 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 2qbr s ILE 82 Cb -0.05 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 2qbr s ILE 82 CO 0.02 0.19 0.10 -0.76 0.00 0.00 0.00 174.94 174.49 2qbr s LEU 83 N 1.37 4.02 0.10 2.97 1.02 -0.33 -0.06 118.68 127.77 2qbr s LEU 83 Ca 0.01 0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.31 2qbr s LEU 83 Cb -0.17 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 2qbr s LEU 83 CO -0.03 0.19 0.03 0.28 0.02 0.00 0.00 176.35 176.83 2qbr s THR 84 N 0.31 0.14 0.73 5.49 -1.32 -0.59 -0.36 115.64 120.04 2qbr s THR 84 Ca 0.06 -1.88 -0.11 0.00 -1.21 0.00 0.00 61.69 58.55 2qbr s THR 84 Cb -0.12 -1.87 0.03 0.00 -1.51 0.00 0.00 72.50 69.03 2qbr s THR 84 CO -0.01 -0.64 1.07 0.00 -2.21 0.00 0.00 174.62 172.83 2qbr s GLN 85 N -4.01 2.66 0.13 7.08 -2.07 -1.14 -3.75 119.66 118.57 2qbr s GLN 85 Ca 0.18 0.99 -0.31 0.00 -1.82 0.00 0.00 55.36 54.40 2qbr s GLN 85 Cb 0.08 -1.96 -0.10 0.00 -1.09 0.00 0.00 33.01 29.94 2qbr s GLN 85 CO -0.02 -1.31 1.73 0.20 -1.32 0.00 0.00 175.29 174.57 2qbr s GLY 86 N -3.68 1.40 0.43 2.60 0.00 -0.70 -4.82 107.32 102.53 2qbr s GLY 86 Ca 0.59 1.41 -0.26 0.00 0.00 0.00 0.00 44.72 46.46 2qbr s GLY 86 CO 0.55 2.96 1.42 -1.05 0.00 0.00 0.00 173.10 176.98 2qbr n PRO 87 N 5.08 2.30 -2.92 2.90 -0.02 -1.26 -4.71 135.00 136.37 2qbr n PRO 87 Ca 0.16 0.82 -0.26 0.00 -2.02 0.00 0.00 63.50 62.20 2qbr n PRO 87 Cb 0.38 -2.59 -0.00 0.00 -0.02 0.00 0.00 33.50 31.27 2qbr n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qbr s LEU 88 N -2.31 3.76 0.63 2.45 2.01 -1.26 -1.77 118.68 122.18 2qbr s LEU 88 Ca 0.59 0.72 0.25 0.00 0.01 0.00 0.00 54.13 55.70 2qbr s LEU 88 Cb -0.47 -3.63 1.26 0.00 0.01 0.00 0.00 46.19 43.36 2qbr s LEU 88 CO 0.59 -0.49 1.71 -0.65 1.01 0.00 0.00 176.35 178.52 2qbr h PRO 89 N 0.41 0.00 -0.00 1.29 0.11 -1.96 0.17 132.00 132.03 2qbr h PRO 89 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qbr h PRO 89 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qbr h PRO 89 CO 0.61 0.00 -0.72 0.27 -0.21 0.00 0.00 178.00 177.95 2qbr n ASN 90 N -3.18 1.02 -0.82 -2.05 6.94 -1.26 -4.51 115.26 111.40 2qbr n ASN 90 Ca 0.05 -1.01 0.07 0.00 -0.02 0.00 0.00 54.58 53.67 2qbr n ASN 90 Cb 0.72 0.89 0.20 0.00 -2.36 0.00 0.00 39.78 39.22 2qbr n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2qbr n THR 91 N -1.13 1.19 -0.26 5.53 -2.24 0.59 -4.63 114.28 113.33 2qbr n THR 91 Ca 0.04 -1.10 -0.07 0.00 -2.27 0.00 0.00 64.05 60.65 2qbr n THR 91 Cb 0.29 0.40 0.05 0.00 -2.10 0.00 0.00 70.33 68.97 2qbr n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbr h GLY 93 N 1.10 0.61 0.72 0.00 0.00 -1.91 -1.63 103.07 101.96 2qbr h GLY 93 Ca 0.23 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.32 2qbr h GLY 93 CO 0.00 0.27 0.38 0.45 0.00 0.00 0.00 176.54 177.64 2qbr h HIS 94 N 0.52 0.69 0.09 5.60 -0.00 -1.77 0.17 115.15 120.45 2qbr h HIS 94 Ca 0.14 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.55 2qbr h HIS 94 Cb 0.08 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 2qbr h HIS 94 CO -0.02 0.35 -0.14 0.35 -0.00 0.00 0.00 177.93 178.46 2qbr h PHE 95 N 0.71 -0.37 0.00 2.45 3.57 -0.36 -0.23 116.94 122.70 2qbr h PHE 95 Ca 0.29 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 2qbr h PHE 95 Cb 0.15 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2qbr h PHE 95 CO -0.07 -0.22 -0.24 -1.49 -2.23 0.00 0.00 178.31 174.06 2qbr h TRP 96 N -0.29 0.00 -0.56 0.41 4.06 -0.94 -1.78 115.95 116.86 2qbr h TRP 96 Ca 0.02 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.86 2qbr h TRP 96 Cb 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 2qbr h TRP 96 CO -0.16 0.24 -0.08 1.49 -3.56 0.00 0.00 178.44 176.37 2qbr h GLU 97 N 0.00 1.04 -0.38 0.49 4.81 -0.08 -0.56 114.58 119.90 2qbr h GLU 97 Ca -0.00 -0.37 -0.05 0.00 -0.13 0.00 0.00 59.36 58.80 2qbr h GLU 97 Cb 0.73 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2qbr h GLU 97 CO 0.03 1.07 0.05 1.98 -0.73 0.00 0.00 179.01 181.41 2qbr h MET 98 N 0.93 0.64 -0.56 1.92 4.05 -0.56 0.21 114.93 121.55 2qbr h MET 98 Ca 0.15 -0.18 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 2qbr h MET 98 Cb 0.65 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 2qbr h MET 98 CO 0.05 0.71 0.34 0.28 0.23 0.00 0.00 176.91 178.52 2qbr h VAL 99 N 0.48 1.06 0.40 -5.77 2.07 -1.09 0.20 116.25 113.61 2qbr h VAL 99 Ca 0.11 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2qbr h VAL 99 Cb 0.39 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2qbr h VAL 99 CO 0.01 0.12 -0.19 -0.25 0.02 0.00 0.00 177.57 177.28 2qbr h TRP 100 N 0.68 -0.49 -0.77 1.57 2.91 -0.88 -1.65 115.95 117.31 2qbr h TRP 100 Ca 0.23 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.30 2qbr h TRP 100 Cb 0.02 0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 28.78 2qbr h TRP 100 CO -0.06 -0.17 0.45 0.93 -1.03 0.00 0.00 178.44 178.56 2qbr h GLU 101 N -0.85 0.80 0.00 2.65 5.08 -0.43 -0.95 114.58 120.87 2qbr h GLU 101 Ca -0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2qbr h GLU 101 Cb 0.54 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2qbr h GLU 101 CO 0.09 0.53 0.00 1.04 -1.00 0.00 0.00 179.01 179.67 2qbr n GLN 102 N -4.71 0.95 -2.96 2.33 1.13 0.71 -4.90 117.38 109.92 2qbr n GLN 102 Ca 0.11 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.95 2qbr n GLN 102 Cb 0.19 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.06 2qbr n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2qbr n LYS 103 N -1.02 -4.13 -2.08 -1.09 5.02 -0.36 -4.06 118.16 110.44 2qbr n LYS 103 Ca 0.23 0.84 -0.34 0.00 -2.02 0.00 0.00 58.31 57.03 2qbr n LYS 103 Cb 0.12 -5.65 0.01 0.00 -0.02 0.00 0.00 35.03 29.50 2qbr n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2qbr s SER 104 N -2.59 5.61 -0.06 4.39 0.01 -0.67 -0.54 113.70 119.86 2qbr s SER 104 Ca 0.26 2.01 0.07 0.00 1.31 0.00 0.00 55.95 59.61 2qbr s SER 104 Cb -0.12 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.44 2qbr s SER 104 CO 0.33 -1.29 0.08 -1.14 0.41 0.00 0.00 173.24 171.62 2qbr n ARG 105 N -1.78 1.95 -4.33 12.44 0.63 -1.26 -4.84 116.66 119.47 2qbr n ARG 105 Ca 0.10 -0.03 -0.23 0.00 -0.92 0.00 0.00 57.85 56.78 2qbr n ARG 105 Cb 0.52 -1.20 -0.12 0.00 0.45 0.00 0.00 32.46 32.11 2qbr n ARG 105 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2qbr s GLY 106 N -3.64 1.39 -0.08 5.14 0.00 -1.26 -1.19 107.32 107.68 2qbr s GLY 106 Ca -0.04 -1.45 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 2qbr s GLY 106 CO 0.33 -1.48 -0.03 0.14 0.00 0.00 0.00 173.10 172.06 2qbr s VAL 107 N -1.77 0.60 -0.23 1.40 1.01 -0.32 -1.95 120.40 119.15 2qbr s VAL 107 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 2qbr s VAL 107 Cb -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 2qbr s VAL 107 CO 0.06 0.29 0.05 -0.69 0.00 0.00 0.00 175.10 174.81 2qbr s VAL 108 N 1.81 4.23 -0.19 2.92 1.01 0.87 -1.03 120.40 130.02 2qbr s VAL 108 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2qbr s VAL 108 Cb -0.12 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2qbr s VAL 108 CO -0.06 0.38 -0.08 -0.32 0.00 0.00 0.00 175.10 175.02 2qbr s MET 109 N 1.30 3.36 0.00 2.72 0.00 0.45 -1.26 119.30 125.87 2qbr s MET 109 Ca 0.05 -0.65 0.15 0.00 0.00 0.00 0.00 55.69 55.23 2qbr s MET 109 Cb -0.15 -2.87 0.37 0.00 0.00 0.00 0.00 34.83 32.18 2qbr s MET 109 CO 0.03 -0.07 1.29 1.28 0.00 0.00 0.00 175.02 177.55 2qbr n LEU 110 N 4.39 3.11 -4.48 4.11 4.77 -0.75 -0.79 117.00 127.37 2qbr n LEU 110 Ca -0.18 -1.83 -0.23 0.00 -0.03 0.00 0.00 56.01 53.74 2qbr n LEU 110 Cb 0.51 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2qbr n LEU 110 CO 0.29 0.75 -0.25 0.54 -1.33 0.00 0.00 177.39 177.39 2qbr s ASN 111 N -1.05 2.52 0.20 -1.43 2.20 -1.25 -4.57 114.94 111.57 2qbr s ASN 111 Ca 0.30 -1.46 0.05 0.00 -0.94 0.00 0.00 52.86 50.81 2qbr s ASN 111 Cb 0.16 0.08 -0.04 0.00 -2.00 0.00 0.00 41.25 39.46 2qbr s ASN 111 CO 0.21 -0.70 0.20 -0.13 -2.94 0.00 0.00 177.10 173.75 2qbr s ARG 112 N -3.85 3.03 0.25 3.55 0.52 -1.26 -4.81 118.95 116.36 2qbr s ARG 112 Ca 0.32 -0.90 -0.05 0.00 -0.52 0.00 0.00 55.73 54.58 2qbr s ARG 112 Cb 0.07 -2.68 0.32 0.00 0.52 0.00 0.00 34.95 33.19 2qbr s ARG 112 CO 0.15 0.45 1.87 0.28 0.02 0.00 0.00 175.30 178.07 2qbr h VAL 113 N 1.70 1.10 -3.59 3.52 2.07 -1.95 -3.41 116.25 115.69 2qbr h VAL 113 Ca -0.49 -0.37 -0.68 0.00 0.82 0.00 0.00 66.70 65.98 2qbr h VAL 113 Cb 1.22 -0.08 -0.32 0.00 -1.52 0.00 0.00 31.29 30.58 2qbr h VAL 113 CO 0.63 0.20 -0.88 -0.32 0.02 0.00 0.00 177.57 177.22 2qbr s MET 114 N -6.07 2.87 -0.01 1.57 -2.45 -1.26 -1.17 119.30 112.78 2qbr s MET 114 Ca -0.13 -0.88 0.00 0.00 -1.25 0.00 0.00 55.69 53.43 2qbr s MET 114 Cb 0.18 -2.26 0.01 0.00 1.25 0.00 0.00 34.83 34.02 2qbr s MET 114 CO 0.80 0.26 0.01 -1.21 1.05 0.00 0.00 175.02 175.92 2qbr s GLU 115 N 0.15 0.07 -1.64 4.11 2.02 -0.22 -4.87 118.70 118.31 2qbr s GLU 115 Ca -0.13 0.06 -0.14 0.00 0.02 0.00 0.00 54.97 54.78 2qbr s GLU 115 Cb -0.16 -0.19 0.12 0.00 0.10 0.00 0.00 34.13 34.00 2qbr s GLU 115 CO 0.07 -0.06 0.64 1.63 0.02 0.00 0.00 175.26 177.56 2qbr n LYS 116 N 3.57 -2.91 -0.25 1.61 5.02 -1.26 -0.95 118.16 123.00 2qbr n LYS 116 Ca -0.19 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2qbr n LYS 116 Cb 0.55 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.71 2qbr n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbr n GLY 117 N -1.59 2.27 3.45 0.72 0.00 -1.26 -5.03 105.19 103.76 2qbr n GLY 117 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2qbr n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qbr s SER 118 N -3.61 3.54 -0.62 1.61 1.04 -0.13 -5.09 113.70 110.45 2qbr s SER 118 Ca 0.00 -0.94 -0.23 0.00 0.48 0.00 0.00 55.95 55.26 2qbr s SER 118 Cb 0.00 -0.29 0.06 0.00 0.10 0.00 0.00 66.02 65.88 2qbr s SER 118 CO 0.00 0.08 0.96 -0.76 0.98 0.00 0.00 173.24 174.50 2qbr s LEU 119 N -3.11 4.24 0.25 2.42 1.43 -1.26 -1.06 118.68 121.59 2qbr s LEU 119 Ca 0.26 -0.72 0.25 0.00 -1.03 0.00 0.00 54.13 52.88 2qbr s LEU 119 Cb -0.06 -2.58 0.63 0.00 0.03 0.00 0.00 46.19 44.21 2qbr s LEU 119 CO 0.13 -1.36 1.66 0.11 0.23 0.00 0.00 176.35 177.12 2qbr h LYS 120 N 9.47 0.00 -2.18 1.70 1.79 -1.39 -3.47 116.57 122.49 2qbr h LYS 120 Ca -0.28 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.13 2qbr h LYS 120 Cb 1.07 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.52 2qbr h LYS 120 CO 1.14 0.00 0.08 0.00 -1.08 0.00 0.00 179.45 179.59 2qbr s ALA 122 N -0.49 2.51 -1.16 0.00 0.00 -0.73 -4.75 121.76 117.14 2qbr s ALA 122 Ca -0.06 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.65 2qbr s ALA 122 Cb -0.03 -3.13 0.12 0.00 0.00 0.00 0.00 23.12 20.08 2qbr s ALA 122 CO 0.05 -1.43 1.46 -1.14 0.00 0.00 0.00 175.76 174.70 2qbr s GLN 123 N -5.12 3.91 0.00 0.00 2.00 -1.26 -4.82 119.66 114.37 2qbr s GLN 123 Ca 0.59 -2.08 0.28 0.00 -2.00 0.00 0.00 55.36 52.15 2qbr s GLN 123 Cb -0.14 -5.20 1.09 0.00 0.80 0.00 0.00 33.01 29.56 2qbr s GLN 123 CO 0.54 -1.96 1.79 2.48 -0.50 0.00 0.00 175.29 177.65 2qbr n TYR 124 N 6.98 0.00 -4.38 1.67 0.18 -1.26 -4.86 117.16 115.49 2qbr n TYR 124 Ca 0.37 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.91 2qbr n TYR 124 Cb 0.46 -0.28 -0.13 0.00 -0.38 0.00 0.00 39.34 39.01 2qbr n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2qbr s TRP 125 N -2.72 1.79 0.27 -3.48 -2.14 -1.26 -5.07 118.94 106.33 2qbr s TRP 125 Ca 0.21 -0.40 -0.29 0.00 2.66 0.00 0.00 56.10 58.27 2qbr s TRP 125 Cb 0.19 -1.01 -0.10 0.00 -3.10 0.00 0.00 33.47 29.46 2qbr s TRP 125 CO 0.54 0.17 1.32 -1.25 -2.66 0.00 0.00 176.95 175.06 2qbr s PRO 126 N -1.70 4.37 0.01 3.25 0.04 -1.26 -4.96 135.00 134.75 2qbr s PRO 126 Ca 0.07 2.14 0.24 0.00 0.04 0.00 0.00 61.00 63.49 2qbr s PRO 126 Cb -0.10 -3.13 0.27 0.00 0.04 0.00 0.00 34.50 31.58 2qbr s PRO 126 CO 0.04 -0.22 1.24 1.04 0.04 0.00 0.00 177.00 179.14 2qbr n GLN 127 N 1.75 0.05 -3.83 4.56 6.02 -1.26 -4.65 117.38 120.02 2qbr n GLN 127 Ca 0.03 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.90 2qbr n GLN 127 Cb 0.42 -1.52 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 2qbr n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2qbr s LYS 128 N -3.03 0.10 0.27 -1.09 1.02 -1.26 -5.07 119.74 110.68 2qbr s LYS 128 Ca 0.09 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.24 2qbr s LYS 128 Cb 0.17 0.01 0.62 0.00 -0.52 0.00 0.00 37.83 38.11 2qbr s LYS 128 CO 0.75 -0.04 1.72 0.93 -0.92 0.00 0.00 175.35 177.80 2qbr h GLU 129 N 6.19 0.44 0.00 1.68 3.07 -1.91 -2.23 114.58 121.82 2qbr h GLU 129 Ca -0.27 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 2qbr h GLU 129 Cb 1.19 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2qbr h GLU 129 CO 0.45 0.29 0.00 -0.85 -1.40 0.00 0.00 179.01 177.50 2qbr n GLU 130 N -5.00 0.02 -3.85 2.33 0.00 -1.26 -4.18 120.64 108.70 2qbr n GLU 130 Ca 0.19 0.18 -0.28 0.00 0.00 0.00 0.00 57.16 57.25 2qbr n GLU 130 Cb 0.55 -1.53 -0.12 0.00 0.00 0.00 0.00 31.44 30.34 2qbr n GLU 130 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2qbr s LYS 131 N -3.02 2.15 0.74 3.44 1.02 -0.84 -5.09 119.74 118.14 2qbr s LYS 131 Ca 0.09 -3.01 -0.11 0.00 0.02 0.00 0.00 55.97 52.96 2qbr s LYS 131 Cb 0.12 -3.14 0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2qbr s LYS 131 CO 0.36 -1.26 1.07 -1.83 -0.92 0.00 0.00 175.35 172.78 2qbr s GLU 132 N -0.99 2.58 -0.09 1.68 1.03 -1.26 -4.63 118.70 117.03 2qbr s GLU 132 Ca 0.24 0.89 -0.01 0.00 0.03 0.00 0.00 54.97 56.12 2qbr s GLU 132 Cb -0.09 -1.95 -0.03 0.00 -0.80 0.00 0.00 34.13 31.26 2qbr s GLU 132 CO -0.13 -1.33 -0.02 -1.64 -1.33 0.00 0.00 175.26 170.80 2qbr s MET 133 N -5.05 2.96 -0.18 -4.83 -1.94 0.25 -4.97 119.30 105.54 2qbr s MET 133 Ca 0.59 -0.46 0.01 0.00 -1.71 0.00 0.00 55.69 54.12 2qbr s MET 133 Cb -0.15 -2.74 0.02 0.00 2.01 0.00 0.00 34.83 33.98 2qbr s MET 133 CO 0.55 0.65 -0.18 0.42 -0.01 0.00 0.00 175.02 176.45 2qbr s ILE 134 N -0.76 1.99 -0.69 2.53 1.01 -1.26 -0.58 121.20 123.44 2qbr s ILE 134 Ca 0.12 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 2qbr s ILE 134 Cb -0.11 -1.83 0.15 0.00 0.01 0.00 0.00 42.46 40.67 2qbr s ILE 134 CO 0.02 0.48 0.72 -0.36 0.00 0.00 0.00 174.94 175.80 2qbr s PHE 135 N 1.31 3.30 0.28 3.97 0.08 -0.47 -4.93 117.98 121.51 2qbr s PHE 135 Ca 0.04 -1.40 -0.02 0.00 0.12 0.00 0.00 56.93 55.67 2qbr s PHE 135 Cb -0.14 -3.94 0.39 0.00 -0.57 0.00 0.00 43.02 38.76 2qbr s PHE 135 CO -0.12 -1.16 1.85 0.93 -0.10 0.00 0.00 175.22 176.61 2qbr h GLU 136 N 8.66 0.90 -0.79 0.44 5.08 -1.97 0.17 114.58 127.08 2qbr h GLU 136 Ca -0.13 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2qbr h GLU 136 Cb 1.07 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 2qbr h GLU 136 CO 0.99 0.76 0.32 0.38 -1.00 0.00 0.00 179.01 180.46 2qbr h ASP 137 N 0.88 1.08 -0.02 1.42 2.03 -1.98 -3.07 116.42 116.77 2qbr h ASP 137 Ca 0.20 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 2qbr h ASP 137 Cb 0.22 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.44 2qbr h ASP 137 CO -0.01 0.95 -0.36 0.35 -1.03 0.00 0.00 179.24 179.14 2qbr n THR 138 N -4.28 0.00 -3.17 1.15 -2.24 -1.18 -5.02 114.28 99.54 2qbr n THR 138 Ca 0.07 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2qbr n THR 138 Cb 0.18 1.27 0.07 0.00 -2.10 0.00 0.00 70.33 69.75 2qbr n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qbr n ASN 139 N 0.14 -5.44 -4.14 3.42 4.05 0.55 -4.98 115.26 108.87 2qbr n ASN 139 Ca 0.09 -0.64 -0.13 0.00 0.45 0.00 0.00 54.58 54.34 2qbr n ASN 139 Cb 0.44 -4.86 -0.11 0.00 1.23 0.00 0.00 39.78 36.48 2qbr n ASN 139 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2qbr s LEU 140 N -5.39 2.38 -0.05 1.20 1.43 -0.96 -2.69 118.68 114.61 2qbr s LEU 140 Ca 0.34 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2qbr s LEU 140 Cb -0.04 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 45.95 2qbr s LEU 140 CO 0.68 -0.28 -0.15 -0.75 0.23 0.00 0.00 176.35 176.08 2qbr s LYS 141 N -2.64 1.70 -0.11 1.70 2.20 -0.27 -1.37 119.74 120.94 2qbr s LYS 141 Ca 0.02 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.13 2qbr s LYS 141 Cb -0.03 -1.46 0.01 0.00 -1.51 0.00 0.00 37.83 34.84 2qbr s LYS 141 CO -0.01 0.18 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.80 2qbr s LEU 142 N 0.21 1.92 -0.06 5.43 2.96 0.25 -0.53 118.68 128.87 2qbr s LEU 142 Ca -0.07 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 2qbr s LEU 142 Cb -0.12 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.34 2qbr s LEU 142 CO 0.03 0.08 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.12 2qbr s THR 143 N 0.68 1.19 0.03 3.68 2.01 -0.71 -0.58 115.64 121.94 2qbr s THR 143 Ca -0.12 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2qbr s THR 143 Cb -0.16 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 2qbr s THR 143 CO 0.03 0.36 1.23 -0.22 -0.69 0.00 0.00 174.62 175.33 2qbr s LEU 144 N 0.51 4.34 -0.18 4.42 2.96 -1.26 -1.58 118.68 127.90 2qbr s LEU 144 Ca -0.12 1.99 0.05 0.00 -0.22 0.00 0.00 54.13 55.83 2qbr s LEU 144 Cb -0.15 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 42.83 2qbr s LEU 144 CO 0.03 -0.53 -0.11 -0.38 -1.32 0.00 0.00 176.35 174.05 2qbr n ILE 145 N 4.17 1.07 -3.65 6.68 2.08 -0.19 -4.38 119.36 125.13 2qbr n ILE 145 Ca 0.10 -0.48 -0.01 0.00 0.56 0.00 0.00 62.75 62.93 2qbr n ILE 145 Cb 0.46 -1.01 -0.01 0.00 -0.75 0.00 0.00 39.64 38.33 2qbr n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2qbr s SER 146 N -5.56 -0.11 -0.28 4.38 1.04 -1.15 -5.00 113.70 107.03 2qbr s SER 146 Ca -0.20 -0.19 -0.19 0.00 0.48 0.00 0.00 55.95 55.84 2qbr s SER 146 Cb 0.06 0.25 0.08 0.00 0.10 0.00 0.00 66.02 66.51 2qbr s SER 146 CO 0.49 -0.47 0.70 -1.83 0.98 0.00 0.00 173.24 173.11 2qbr s GLU 147 N -2.68 0.76 -0.39 4.02 -1.05 -1.26 -0.84 118.70 117.25 2qbr s GLU 147 Ca 0.13 1.14 -0.07 0.00 -0.15 0.00 0.00 54.97 56.02 2qbr s GLU 147 Cb 0.02 0.24 0.08 0.00 -0.44 0.00 0.00 34.13 34.03 2qbr s GLU 147 CO -0.02 -0.13 0.20 0.34 0.95 0.00 0.00 175.26 176.60 2qbr s ASP 148 N 1.17 5.45 -0.09 0.83 2.15 0.12 -4.98 116.67 121.32 2qbr s ASP 148 Ca -0.06 -1.53 -0.19 0.00 0.43 0.00 0.00 52.55 51.20 2qbr s ASP 148 Cb -0.05 -1.91 -0.04 0.00 -0.30 0.00 0.00 42.92 40.61 2qbr s ASP 148 CO -0.12 -0.48 0.50 -0.63 -0.17 0.00 0.00 175.17 174.27 2qbr s ILE 149 N 1.35 5.14 0.52 4.11 1.01 -1.26 -1.59 121.20 130.48 2qbr s ILE 149 Ca 0.03 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.70 2qbr s ILE 149 Cb -0.22 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2qbr s ILE 149 CO 0.01 0.35 0.07 0.29 0.00 0.00 0.00 174.94 175.66 2qbr n LYS 150 N 3.46 0.73 0.35 2.79 4.76 -0.17 -5.01 118.16 125.07 2qbr n LYS 150 Ca -0.07 -3.72 -0.18 0.00 -2.87 0.00 0.00 58.31 51.47 2qbr n LYS 150 Cb 0.52 0.90 -0.09 0.00 -1.84 0.00 0.00 35.03 34.51 2qbr n LYS 150 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qbr h SER 151 N 1.14 -1.00 -0.28 4.39 4.64 -0.43 -3.32 113.55 118.69 2qbr h SER 151 Ca -0.42 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2qbr h SER 151 Cb 1.30 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 2qbr h SER 151 CO 0.69 -0.61 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 2qbr n TYR 152 N -5.53 0.36 -3.50 4.77 4.11 -1.26 -4.99 117.16 111.12 2qbr n TYR 152 Ca -0.13 -0.26 -0.13 0.00 -0.00 0.00 0.00 57.90 57.38 2qbr n TYR 152 Cb 0.42 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.34 39.71 2qbr n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 2qbr s TYR 153 N -1.20 -0.50 -0.01 -3.48 1.13 -1.25 -0.92 117.35 111.13 2qbr s TYR 153 Ca 0.28 0.46 0.04 0.00 -1.41 0.00 0.00 57.07 56.44 2qbr s TYR 153 Cb 0.16 0.45 -0.01 0.00 -1.10 0.00 0.00 41.96 41.46 2qbr s TYR 153 CO 0.23 -0.74 -0.12 0.99 -2.51 0.00 0.00 175.55 173.40 2qbr s THR 154 N -2.97 0.94 -0.22 -3.49 2.01 0.06 -1.00 115.64 110.97 2qbr s THR 154 Ca -0.03 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 2qbr s THR 154 Cb -0.00 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2qbr s THR 154 CO -0.06 0.27 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.38 2qbr s VAL 155 N -0.25 3.06 0.05 3.82 1.01 -0.62 -0.59 120.40 126.87 2qbr s VAL 155 Ca 0.04 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2qbr s VAL 155 Cb -0.05 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2qbr s VAL 155 CO -0.00 0.37 -0.05 -0.13 0.00 0.00 0.00 175.10 175.28 2qbr s ARG 156 N 1.41 2.48 -0.18 2.72 0.52 0.69 -0.70 118.95 125.88 2qbr s ARG 156 Ca 0.04 -0.81 -0.04 0.00 -0.52 0.00 0.00 55.73 54.40 2qbr s ARG 156 Cb -0.15 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 2qbr s ARG 156 CO -0.05 0.57 -0.04 -1.14 0.02 0.00 0.00 175.30 174.66 2qbr s GLN 157 N -1.84 3.53 0.18 3.54 0.74 -0.02 -0.70 119.66 125.09 2qbr s GLN 157 Ca 0.21 -0.57 0.08 0.00 0.05 0.00 0.00 55.36 55.12 2qbr s GLN 157 Cb -0.11 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 2qbr s GLN 157 CO 0.12 0.04 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.23 2qbr s LEU 158 N 0.88 2.49 -0.16 3.68 1.43 -0.36 -1.02 118.68 125.62 2qbr s LEU 158 Ca -0.01 -0.92 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 2qbr s LEU 158 Cb -0.15 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.35 2qbr s LEU 158 CO 0.01 -0.10 -0.19 -0.70 0.23 0.00 0.00 176.35 175.61 2qbr s GLU 159 N -3.14 2.77 -0.18 1.70 2.12 -0.61 -0.89 118.70 120.47 2qbr s GLU 159 Ca 0.18 -0.75 -0.05 0.00 0.36 0.00 0.00 54.97 54.71 2qbr s GLU 159 Cb -0.04 -2.37 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 2qbr s GLU 159 CO 0.07 -0.15 0.00 -1.17 -0.54 0.00 0.00 175.26 173.46 2qbr s LEU 160 N 1.18 3.37 -0.07 2.70 2.96 -0.20 -1.74 118.68 126.89 2qbr s LEU 160 Ca 0.01 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 2qbr s LEU 160 Cb -0.14 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 2qbr s LEU 160 CO -0.09 0.12 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.13 2qbr s GLU 161 N 0.67 2.60 -0.70 1.98 2.12 0.32 -1.44 118.70 124.25 2qbr s GLU 161 Ca -0.00 -0.86 -0.21 0.00 0.36 0.00 0.00 54.97 54.25 2qbr s GLU 161 Cb -0.14 -2.13 0.09 0.00 0.26 0.00 0.00 34.13 32.21 2qbr s GLU 161 CO 0.02 0.31 0.95 1.21 -0.54 0.00 0.00 175.26 177.21 2qbr s ASN 162 N 0.00 6.26 0.55 -1.70 3.84 -0.46 -1.12 114.94 122.33 2qbr s ASN 162 Ca -0.08 -1.28 0.28 0.00 0.21 0.00 0.00 52.86 51.99 2qbr s ASN 162 Cb -0.15 -2.39 1.46 0.00 -0.55 0.00 0.00 41.25 39.62 2qbr s ASN 162 CO 0.05 -1.31 1.94 -0.07 -2.79 0.00 0.00 177.10 174.92 2qbr h LEU 163 N 10.93 0.00 -1.00 3.21 4.07 -1.82 2.41 115.31 133.12 2qbr h LEU 163 Ca -0.20 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.65 2qbr h LEU 163 Cb 1.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.79 2qbr h LEU 163 CO 1.15 0.00 -0.50 0.74 -1.08 0.00 0.00 178.44 178.76 2qbr h THR 164 N 0.00 1.35 0.00 0.22 2.02 -1.91 -3.29 112.91 111.30 2qbr h THR 164 Ca 0.28 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.75 2qbr h THR 164 Cb 1.24 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 2qbr h THR 164 CO -0.00 0.49 0.00 0.35 0.37 0.00 0.00 175.52 176.73 2qbr n THR 165 N -3.93 0.00 -1.59 3.16 -2.24 -0.35 -4.99 114.28 104.34 2qbr n THR 165 Ca -0.01 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 2qbr n THR 165 Cb 0.52 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.68 2qbr n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbr n GLN 166 N -0.73 -1.46 -2.51 -0.78 6.02 0.80 -4.95 117.38 113.77 2qbr n GLN 166 Ca 0.00 1.21 -0.36 0.00 -0.01 0.00 0.00 57.00 57.85 2qbr n GLN 166 Cb 0.00 -5.60 -0.03 0.00 1.02 0.00 0.00 30.24 25.63 2qbr n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2qbr s GLU 167 N -3.72 3.99 -0.02 -1.09 2.12 -1.18 -4.80 118.70 113.99 2qbr s GLU 167 Ca 0.00 1.48 0.04 0.00 0.36 0.00 0.00 54.97 56.85 2qbr s GLU 167 Cb 0.00 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 32.02 2qbr s GLU 167 CO 0.00 -0.29 -0.14 0.99 -0.54 0.00 0.00 175.26 175.28 2qbr s THR 168 N -1.77 1.12 0.02 -1.70 2.01 -1.26 -1.35 115.64 112.71 2qbr s THR 168 Ca 0.62 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2qbr s THR 168 Cb -0.21 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 2qbr s THR 168 CO 0.25 0.32 -0.07 -0.13 -0.69 0.00 0.00 174.62 174.30 2qbr s ARG 169 N -0.20 0.50 -0.06 4.92 0.52 -0.52 -5.00 118.95 119.11 2qbr s ARG 169 Ca 0.03 -0.49 -0.21 0.00 -0.52 0.00 0.00 55.73 54.54 2qbr s ARG 169 Cb -0.07 -0.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.97 2qbr s ARG 169 CO -0.00 0.09 0.61 -2.00 0.02 0.00 0.00 175.30 174.02 2qbr s GLU 170 N -0.86 4.38 -0.15 3.54 2.12 -1.26 -1.03 118.70 125.44 2qbr s GLU 170 Ca -0.04 0.73 0.02 0.00 0.36 0.00 0.00 54.97 56.04 2qbr s GLU 170 Cb -0.06 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.93 2qbr s GLU 170 CO 0.00 0.17 -0.21 0.42 -0.54 0.00 0.00 175.26 175.11 2qbr s ILE 171 N 0.48 1.98 -0.03 -3.70 -1.09 -0.07 -4.87 121.20 113.90 2qbr s ILE 171 Ca 0.33 -0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 57.63 2qbr s ILE 171 Cb -0.17 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 2qbr s ILE 171 CO 0.16 0.53 0.56 -0.76 -1.23 0.00 0.00 174.94 174.21 2qbr s LEU 172 N 0.97 4.39 -0.23 2.97 1.02 -0.33 -1.22 118.68 126.25 2qbr s LEU 172 Ca -0.04 1.09 0.01 0.00 0.02 0.00 0.00 54.13 55.21 2qbr s LEU 172 Cb -0.15 -2.86 0.04 0.00 0.02 0.00 0.00 46.19 43.24 2qbr s LEU 172 CO -0.05 0.09 -0.13 -2.28 0.02 0.00 0.00 176.35 174.00 2qbr s HIS 173 N -0.08 3.05 -0.34 0.29 2.46 0.13 -1.17 115.29 119.62 2qbr s HIS 173 Ca 0.30 -1.93 -0.08 0.00 0.47 0.00 0.00 55.06 53.82 2qbr s HIS 173 Cb -0.18 -1.95 0.03 0.00 -0.13 0.00 0.00 32.58 30.35 2qbr s HIS 173 CO 0.16 -0.82 0.14 -0.06 -2.47 0.00 0.00 174.74 171.69 2qbr s PHE 174 N 1.21 3.23 -0.38 3.88 0.08 -0.19 -0.22 117.98 125.58 2qbr s PHE 174 Ca -0.02 -1.12 -0.05 0.00 0.12 0.00 0.00 56.93 55.86 2qbr s PHE 174 Cb -0.17 -2.34 0.08 0.00 -0.57 0.00 0.00 43.02 40.02 2qbr s PHE 174 CO -0.08 -0.66 0.16 -1.58 -0.10 0.00 0.00 175.22 172.97 2qbr s HIS 175 N 1.49 3.41 -0.33 0.36 2.46 0.24 -0.41 115.29 122.52 2qbr s HIS 175 Ca 0.01 -1.94 -0.26 0.00 0.47 0.00 0.00 55.06 53.33 2qbr s HIS 175 Cb -0.19 -2.80 0.01 0.00 -0.13 0.00 0.00 32.58 29.47 2qbr s HIS 175 CO 0.04 -0.88 0.94 -0.47 -2.47 0.00 0.00 174.74 171.91 2qbr s TYR 176 N 1.27 3.15 -1.63 3.88 5.04 0.03 -0.76 117.35 128.34 2qbr s TYR 176 Ca 0.03 0.95 0.20 0.00 -2.44 0.00 0.00 57.07 55.81 2qbr s TYR 176 Cb -0.22 -3.52 -0.06 0.00 0.35 0.00 0.00 41.96 38.51 2qbr s TYR 176 CO -0.01 -0.72 0.97 0.25 -1.34 0.00 0.00 175.55 174.70 2qbr n THR 177 N 5.79 0.00 -1.81 4.34 -2.24 -0.09 -3.80 114.28 116.46 2qbr n THR 177 Ca 0.08 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2qbr n THR 177 Cb 0.48 1.18 0.09 0.00 -2.10 0.00 0.00 70.33 69.98 2qbr n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qbr n THR 178 N -0.42 2.51 -3.66 4.28 -2.24 -1.20 -4.82 114.28 108.74 2qbr n THR 178 Ca 0.07 -3.74 -0.39 0.00 -2.27 0.00 0.00 64.05 57.72 2qbr n THR 178 Cb 0.40 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 2qbr n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2qbr s TRP 179 N -3.48 3.29 0.31 4.78 -0.11 -1.26 -4.58 118.94 117.89 2qbr s TRP 179 Ca 0.48 -1.39 -0.29 0.00 1.22 0.00 0.00 56.10 56.11 2qbr s TRP 179 Cb 0.40 -2.60 -0.11 0.00 -1.50 0.00 0.00 33.47 29.67 2qbr s TRP 179 CO 0.00 -0.76 1.45 -2.14 -4.62 0.00 0.00 176.95 170.88 2qbr s PRO 180 N 1.44 4.21 0.21 5.86 0.02 -1.26 -4.83 135.00 140.65 2qbr s PRO 180 Ca 0.01 2.41 -0.31 0.00 0.02 0.00 0.00 61.00 63.13 2qbr s PRO 180 Cb -0.21 -3.04 -0.11 0.00 0.02 0.00 0.00 34.50 31.16 2qbr s PRO 180 CO 0.03 -0.44 1.63 0.16 -0.33 0.00 0.00 177.00 178.05 2qbr s ASP 181 N 0.05 6.47 0.00 2.53 -4.77 -1.26 0.24 116.67 119.93 2qbr s ASP 181 Ca 0.56 2.77 0.00 0.00 -3.30 0.00 0.00 52.55 52.58 2qbr s ASP 181 Cb -0.44 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 38.79 2qbr s ASP 181 CO 0.52 -0.89 0.00 0.49 0.70 0.00 0.00 175.17 175.99 2qbr n PHE 182 N 3.61 0.00 -3.27 2.11 3.72 -1.26 -4.96 117.46 117.42 2qbr n PHE 182 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2qbr n PHE 182 Cb 0.37 -0.96 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 2qbr n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbr n GLY 183 N -1.21 3.98 3.29 1.37 0.00 0.14 -4.92 105.19 107.85 2qbr n GLY 183 Ca 0.00 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.72 2qbr n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbr s VAL 184 N 0.33 1.47 0.90 1.61 -7.23 -1.26 -4.78 120.40 111.45 2qbr s VAL 184 Ca 0.00 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 2qbr s VAL 184 Cb 0.00 -1.89 0.10 0.00 0.56 0.00 0.00 36.38 35.16 2qbr s VAL 184 CO 0.00 -0.61 0.95 -2.65 -0.31 0.00 0.00 175.10 172.48 2qbr n PRO 185 N -0.15 -0.30 -0.19 4.82 -0.02 -1.26 -4.49 135.00 133.42 2qbr n PRO 185 Ca -0.10 -0.02 -0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2qbr n PRO 185 Cb 0.60 -2.24 0.08 0.00 -0.02 0.00 0.00 33.50 31.92 2qbr n PRO 185 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2qbr h GLU 186 N -1.61 0.08 -3.20 -0.52 4.81 -1.97 -3.45 114.58 108.71 2qbr h GLU 186 Ca -0.44 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2qbr h GLU 186 Cb 1.28 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.56 2qbr h GLU 186 CO 0.40 0.05 0.11 -1.54 -0.73 0.00 0.00 179.01 177.30 2qbr s SER 187 N -5.23 -0.27 0.38 1.04 1.04 -1.26 -5.02 113.70 104.37 2qbr s SER 187 Ca -0.14 -0.54 0.07 0.00 0.48 0.00 0.00 55.95 55.83 2qbr s SER 187 Cb 0.18 0.64 0.80 0.00 0.10 0.00 0.00 66.02 67.74 2qbr s SER 187 CO 0.73 -1.17 1.98 -0.65 0.98 0.00 0.00 173.24 175.11 2qbr h PRO 188 N 2.11 0.66 0.55 4.02 0.11 -1.94 -2.52 132.00 134.98 2qbr h PRO 188 Ca -0.25 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 2qbr h PRO 188 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2qbr h PRO 188 CO 0.32 0.43 -0.43 0.00 -0.21 0.00 0.00 178.00 178.11 2qbr h ALA 189 N 1.64 -1.01 -0.49 -0.75 0.00 -1.95 0.14 119.26 116.84 2qbr h ALA 189 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qbr h ALA 189 Cb 0.23 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2qbr h ALA 189 CO -0.09 -1.10 0.30 0.66 0.00 0.00 0.00 179.25 179.02 2qbr h SER 190 N -0.96 0.58 0.25 0.00 4.64 -1.74 0.98 113.55 117.29 2qbr h SER 190 Ca -0.06 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 2qbr h SER 190 Cb 0.81 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2qbr h SER 190 CO 0.01 0.44 -0.12 0.15 -0.87 0.00 0.00 176.83 176.44 2qbr h PHE 191 N 0.67 -0.31 -0.72 4.77 3.57 -1.08 -2.23 116.94 121.61 2qbr h PHE 191 Ca 0.18 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2qbr h PHE 191 Cb -0.03 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2qbr h PHE 191 CO 0.00 -0.00 0.42 -0.07 -2.23 0.00 0.00 178.31 176.43 2qbr h LEU 192 N -0.62 0.87 -0.70 0.59 3.38 -0.41 -0.39 115.31 118.02 2qbr h LEU 192 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qbr h LEU 192 Cb 0.45 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2qbr h LEU 192 CO 0.06 0.68 0.45 -1.13 0.09 0.00 0.00 178.44 178.59 2qbr h ASN 193 N 0.99 0.82 -0.43 -0.43 -1.24 -0.76 -0.02 115.58 114.51 2qbr h ASN 193 Ca 0.26 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.17 2qbr h ASN 193 Cb -0.02 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 2qbr h ASN 193 CO -0.05 0.61 0.04 0.15 -1.29 0.00 0.00 177.43 176.89 2qbr h PHE 194 N 0.95 0.78 -0.52 0.67 3.57 -0.70 -2.21 116.94 119.50 2qbr h PHE 194 Ca 0.26 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2qbr h PHE 194 Cb -0.09 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 2qbr h PHE 194 CO -0.02 0.76 0.33 1.25 -2.23 0.00 0.00 178.31 178.40 2qbr h LEU 195 N 0.58 0.56 -1.25 0.59 5.85 -0.53 -1.89 115.31 119.22 2qbr h LEU 195 Ca 0.13 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 2qbr h LEU 195 Cb 0.42 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2qbr h LEU 195 CO 0.01 0.40 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.92 2qbr h PHE 196 N 0.67 0.00 -0.08 1.25 0.05 -0.95 0.80 116.94 118.67 2qbr h PHE 196 Ca 0.20 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.98 2qbr h PHE 196 Cb -0.04 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 37.90 2qbr h PHE 196 CO -0.05 0.33 0.04 0.87 -0.18 0.00 0.00 178.31 179.32 2qbr h LYS 197 N 0.00 0.12 -0.51 1.51 1.79 -0.71 0.29 116.57 119.07 2qbr h LYS 197 Ca -0.00 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2qbr h LYS 197 Cb 0.70 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2qbr h LYS 197 CO 0.04 0.23 0.33 0.28 -1.08 0.00 0.00 179.45 179.25 2qbr h VAL 198 N -0.01 1.11 -0.47 0.50 2.07 -0.89 -2.39 116.25 116.18 2qbr h VAL 198 Ca 0.03 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2qbr h VAL 198 Cb 0.15 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2qbr h VAL 198 CO -0.00 0.12 0.28 0.03 0.02 0.00 0.00 177.57 178.02 2qbr h ARG 199 N 0.67 0.55 0.00 1.57 3.08 -0.48 -2.63 114.38 117.14 2qbr h ARG 199 Ca 0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2qbr h ARG 199 Cb -0.05 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.87 2qbr h ARG 199 CO -0.05 0.36 0.00 0.93 -1.07 0.00 0.00 179.97 180.14 2qbr h GLU 200 N 0.57 0.00 0.00 0.04 5.08 -0.17 -2.61 114.58 117.49 2qbr h GLU 200 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2qbr h GLU 200 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qbr h GLU 200 CO -0.08 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.80 2qbr n SER 201 N -2.51 0.63 0.00 1.42 3.41 -0.92 -4.86 113.62 110.78 2qbr n SER 201 Ca 0.02 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2qbr n SER 201 Cb 0.29 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2qbr n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbr n GLY 202 N 0.36 0.91 0.31 5.00 0.00 -0.98 -4.91 105.19 105.87 2qbr n GLY 202 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.24 2qbr n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qbr h SER 203 N 0.00 0.00 -0.09 1.61 0.02 -1.79 -2.03 113.55 111.28 2qbr h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qbr h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2qbr h SER 203 CO 0.00 0.02 0.00 0.18 -1.14 0.00 0.00 176.83 175.89 2qbr n LEU 204 N -3.35 2.11 -4.78 5.07 4.77 -1.26 -4.48 117.00 115.08 2qbr n LEU 204 Ca -0.02 -0.77 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 2qbr n LEU 204 Cb 0.13 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2qbr n LEU 204 CO 0.24 0.38 1.11 -0.55 -1.33 0.00 0.00 177.39 177.25 2qbr s SER 205 N -1.86 6.22 0.00 -1.43 0.15 -0.76 -4.88 113.70 111.14 2qbr s SER 205 Ca 0.34 3.00 0.12 0.00 0.70 0.00 0.00 55.95 60.12 2qbr s SER 205 Cb 0.20 -2.66 0.54 0.00 -1.71 0.00 0.00 66.02 62.39 2qbr s SER 205 CO 0.31 -0.95 1.39 -0.81 1.20 0.00 0.00 173.24 174.38 2qbr n PRO 206 N 0.28 0.02 0.09 5.44 -0.04 -1.26 -1.67 135.00 137.86 2qbr n PRO 206 Ca 0.02 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2qbr n PRO 206 Cb 0.40 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.81 2qbr n PRO 206 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2qbr n GLU 207 N -1.48 0.18 -3.86 0.54 -0.58 -1.26 -4.78 120.64 109.41 2qbr n GLU 207 Ca 0.03 0.27 -0.23 0.00 -0.42 0.00 0.00 57.16 56.82 2qbr n GLU 207 Cb 0.14 -1.76 -0.05 0.00 -0.57 0.00 0.00 31.44 29.20 2qbr n GLU 207 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2qbr s HIS 208 N -3.16 2.68 1.12 -0.32 3.76 -0.67 -5.12 115.29 113.59 2qbr s HIS 208 Ca 0.08 -0.50 -0.15 0.00 -0.15 0.00 0.00 55.06 54.34 2qbr s HIS 208 Cb 0.12 -2.00 0.25 0.00 1.11 0.00 0.00 32.58 32.05 2qbr s HIS 208 CO 0.48 0.07 1.08 0.20 -0.85 0.00 0.00 174.74 175.72 2qbr s GLY 209 N -4.00 1.55 0.42 -2.22 0.00 0.30 -4.93 107.32 98.45 2qbr s GLY 209 Ca 0.44 -0.56 -0.24 0.00 0.00 0.00 0.00 44.72 44.35 2qbr s GLY 209 CO 0.25 0.19 1.20 2.56 0.00 0.00 0.00 173.10 177.29 2qbr s PRO 210 N -5.04 3.92 0.44 2.90 0.04 -1.26 -4.49 135.00 131.51 2qbr s PRO 210 Ca 0.68 1.88 -0.25 0.00 0.04 0.00 0.00 61.00 63.35 2qbr s PRO 210 Cb -0.16 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 31.70 2qbr s PRO 210 CO 0.58 -0.45 1.30 0.54 0.04 0.00 0.00 177.00 179.02 2qbr s VAL 211 N -1.43 2.55 -0.17 -0.36 0.11 -1.25 -4.49 120.40 115.37 2qbr s VAL 211 Ca 0.60 0.47 -0.15 0.00 -2.93 0.00 0.00 61.98 59.97 2qbr s VAL 211 Cb -0.32 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2qbr s VAL 211 CO 0.39 0.05 0.33 -0.69 -3.33 0.00 0.00 175.10 171.85 2qbr s VAL 212 N -1.30 5.27 -0.09 2.04 1.01 -0.82 -1.16 120.40 125.35 2qbr s VAL 212 Ca 0.60 0.60 0.02 0.00 0.00 0.00 0.00 61.98 63.20 2qbr s VAL 212 Cb -0.38 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2qbr s VAL 212 CO 0.48 0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 175.09 2qbr s VAL 213 N 0.71 1.38 0.00 2.92 1.01 0.92 -0.09 120.40 127.25 2qbr s VAL 213 Ca 0.17 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2qbr s VAL 213 Cb -0.14 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 2qbr s VAL 213 CO 0.05 0.42 0.11 -1.38 0.00 0.00 0.00 175.10 174.30 2qbr s HIS 214 N 0.90 0.07 0.00 5.22 -3.43 -0.39 -1.55 115.29 116.12 2qbr s HIS 214 Ca -0.09 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 2qbr s HIS 214 Cb -0.15 -0.07 0.00 0.00 -1.43 0.00 0.00 32.58 30.93 2qbr s HIS 214 CO 0.00 -0.27 0.00 0.00 -2.00 0.00 0.00 174.74 172.48 2qbr h SER 216 N 0.00 0.00 0.99 0.00 0.87 -1.89 -2.36 113.55 111.16 2qbr h SER 216 Ca 0.00 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2qbr h SER 216 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2qbr h SER 216 CO 0.00 0.86 -1.02 0.00 -0.53 0.00 0.00 176.83 176.15 2qbr h ALA 217 N -0.80 0.51 -0.14 6.23 0.00 -1.88 -1.87 119.26 121.30 2qbr h ALA 217 Ca -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2qbr h ALA 217 Cb 0.59 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2qbr h ALA 217 CO -0.04 0.05 -0.03 0.41 0.00 0.00 0.00 179.25 179.64 2qbr n GLY 218 N 1.19 0.33 0.00 0.00 0.00 -1.25 -4.14 105.19 101.33 2qbr n GLY 218 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2qbr n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qbr n ILE 219 N -3.95 0.00 0.00 -0.61 -5.35 -1.26 -4.49 119.36 103.71 2qbr n ILE 219 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 2qbr n ILE 219 Cb 0.48 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 2qbr n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qbr n GLY 220 N 1.05 -0.03 0.11 3.28 0.00 -1.26 0.18 105.19 108.52 2qbr n GLY 220 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2qbr n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbr h ARG 221 N 0.00 0.28 -0.81 1.61 3.08 -1.95 -1.04 114.38 115.54 2qbr h ARG 221 Ca 0.00 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.11 2qbr h ARG 221 Cb 0.00 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 29.93 2qbr h ARG 221 CO 0.00 0.38 0.44 0.77 -1.07 0.00 0.00 179.97 180.49 2qbr h SER 222 N 0.13 0.59 -0.57 7.04 0.02 -1.88 0.60 113.55 119.47 2qbr h SER 222 Ca 0.06 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2qbr h SER 222 Cb 0.21 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2qbr h SER 222 CO -0.00 0.31 0.33 1.23 -1.14 0.00 0.00 176.83 177.56 2qbr h GLY 223 N 0.70 0.83 0.92 -3.77 0.00 -0.88 -1.39 103.07 99.48 2qbr h GLY 223 Ca 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2qbr h GLY 223 CO -0.29 0.35 0.11 -0.84 0.00 0.00 0.00 176.54 175.87 2qbr h THR 224 N 0.77 1.16 -0.08 4.70 2.02 -0.04 -1.28 112.91 120.15 2qbr h THR 224 Ca 0.20 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 66.96 2qbr h THR 224 Cb 0.01 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2qbr h THR 224 CO -0.04 0.16 -0.18 0.15 0.37 0.00 0.00 175.52 175.98 2qbr h PHE 225 N 0.27 -0.46 -0.66 3.16 3.04 -0.66 -2.44 116.94 119.19 2qbr h PHE 225 Ca 0.09 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.98 2qbr h PHE 225 Cb 0.14 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 2qbr h PHE 225 CO -0.02 -0.25 0.12 0.00 -2.02 0.00 0.00 178.31 176.14 2qbr h LEU 227 N 1.00 0.66 -0.36 0.00 5.85 -1.10 -1.38 115.31 120.00 2qbr h LEU 227 Ca 0.20 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2qbr h LEU 227 Cb 0.42 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2qbr h LEU 227 CO 0.01 0.56 0.20 0.00 -0.34 0.00 0.00 178.44 178.87 2qbr h ALA 228 N 1.13 0.46 -0.17 1.25 0.00 -1.32 -0.96 119.26 119.65 2qbr h ALA 228 Ca 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2qbr h ALA 228 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qbr h ALA 228 CO -0.03 -0.02 0.08 0.22 0.00 0.00 0.00 179.25 179.50 2qbr h ASP 229 N 0.45 0.22 -0.42 0.00 3.58 -1.24 -1.80 116.42 117.21 2qbr h ASP 229 Ca 0.13 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2qbr h ASP 229 Cb 0.05 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2qbr h ASP 229 CO -0.02 0.28 0.22 0.74 -2.88 0.00 0.00 179.24 177.58 2qbr h THR 230 N 0.14 1.16 -0.72 2.25 2.02 -1.18 -0.90 112.91 115.68 2qbr h THR 230 Ca 0.06 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2qbr h THR 230 Cb 0.12 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2qbr h THR 230 CO -0.01 0.17 0.45 0.00 0.37 0.00 0.00 175.52 176.51 2qbr h LEU 232 N 0.99 0.75 -0.55 0.00 3.38 -1.00 -1.96 115.31 116.93 2qbr h LEU 232 Ca 0.26 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2qbr h LEU 232 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2qbr h LEU 232 CO -0.05 1.11 -0.14 0.25 0.09 0.00 0.00 178.44 179.69 2qbr h LEU 233 N 0.55 1.03 -0.05 1.67 5.85 -0.55 0.14 115.31 123.95 2qbr h LEU 233 Ca 0.03 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2qbr h LEU 233 Cb 1.03 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2qbr h LEU 233 CO 0.10 1.16 0.02 0.25 -0.34 0.00 0.00 178.44 179.63 2qbr h LEU 234 N 0.90 0.07 -0.90 2.25 5.85 -0.92 -0.02 115.31 122.54 2qbr h LEU 234 Ca 0.13 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2qbr h LEU 234 Cb 0.71 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 2qbr h LEU 234 CO 0.05 0.18 0.58 -0.03 -0.34 0.00 0.00 178.44 178.89 2qbr h MET 235 N -0.05 1.09 -0.42 1.25 4.05 -1.24 -2.36 114.93 117.25 2qbr h MET 235 Ca 0.02 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 2qbr h MET 235 Cb 0.13 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 2qbr h MET 235 CO -0.00 0.72 0.05 0.22 0.23 0.00 0.00 176.91 178.13 2qbr h ASP 236 N 1.12 0.68 -0.08 1.39 3.58 -0.31 0.72 116.42 123.51 2qbr h ASP 236 Ca 0.36 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 2qbr h ASP 236 Cb 0.02 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2qbr h ASP 236 CO -0.12 0.78 -0.05 0.50 -2.88 0.00 0.00 179.24 177.47 2qbr h LYS 237 N 0.55 0.32 -0.01 0.28 3.64 -0.65 -2.53 116.57 118.17 2qbr h LYS 237 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2qbr h LYS 237 Cb 0.40 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2qbr h LYS 237 CO 0.01 0.39 -0.43 0.54 -2.27 0.00 0.00 179.45 177.69 2qbr n ARG 238 N -4.32 1.44 -4.18 1.90 1.74 -0.92 -4.97 116.66 107.35 2qbr n ARG 238 Ca 0.00 -0.84 -0.29 0.00 -0.77 0.00 0.00 57.85 55.95 2qbr n ARG 238 Cb 0.23 -1.37 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 2qbr n ARG 238 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2qbr n LYS 239 N -0.17 -1.98 -3.23 5.56 4.76 0.25 -4.92 118.16 118.43 2qbr n LYS 239 Ca 0.08 0.23 -0.02 0.00 -2.87 0.00 0.00 58.31 55.73 2qbr n LYS 239 Cb 0.39 -4.08 -0.02 0.00 -1.84 0.00 0.00 35.03 29.48 2qbr n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2qbr s ASP 240 N -4.29 -0.99 0.60 4.39 2.15 -0.99 -5.03 116.67 112.52 2qbr s ASP 240 Ca 0.07 -0.60 0.30 0.00 0.43 0.00 0.00 52.55 52.75 2qbr s ASP 240 Cb -0.04 1.70 1.70 0.00 -0.30 0.00 0.00 42.92 45.99 2qbr s ASP 240 CO 0.95 -0.24 2.11 -0.65 -0.17 0.00 0.00 175.17 177.18 2qbr h PRO 241 N 7.39 0.00 0.00 4.34 0.11 -1.91 -1.98 132.00 139.94 2qbr h PRO 241 Ca 0.02 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 2qbr h PRO 241 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2qbr h PRO 241 CO 0.14 0.00 -0.31 0.77 -0.21 0.00 0.00 178.00 178.39 2qbr h SER 242 N 0.00 0.00 -0.02 -2.05 0.02 -1.97 -2.96 113.55 106.57 2qbr h SER 242 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2qbr h SER 242 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2qbr h SER 242 CO -0.00 0.31 0.00 -1.54 -1.14 0.00 0.00 176.83 174.46 2qbr n SER 243 N -3.63 0.51 -4.30 3.07 3.41 -0.75 -4.73 113.62 107.20 2qbr n SER 243 Ca -0.01 -2.01 -0.35 0.00 -0.26 0.00 0.00 58.87 56.24 2qbr n SER 243 Cb 0.43 -0.19 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 2qbr n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qbr s VAL 244 N -1.64 3.44 -0.60 -3.33 1.01 -1.12 -5.00 120.40 113.15 2qbr s VAL 244 Ca 0.02 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 2qbr s VAL 244 Cb 0.01 -2.65 0.15 0.00 0.00 0.00 0.00 36.38 33.89 2qbr s VAL 244 CO 0.01 0.29 0.53 -0.62 0.00 0.00 0.00 175.10 175.31 2qbr s ASP 245 N 1.46 6.15 0.14 3.32 -1.08 -1.26 -4.60 116.67 120.80 2qbr s ASP 245 Ca 0.04 -2.13 -0.24 0.00 -0.52 0.00 0.00 52.55 49.69 2qbr s ASP 245 Cb -0.15 -2.13 0.00 0.00 -1.46 0.00 0.00 42.92 39.17 2qbr s ASP 245 CO -0.02 -0.71 1.62 0.40 0.52 0.00 0.00 175.17 176.98 2qbr h ILE 246 N 5.62 0.34 -0.85 4.11 2.04 -1.98 0.98 117.51 127.76 2qbr h ILE 246 Ca -0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2qbr h ILE 246 Cb 1.07 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 2qbr h ILE 246 CO 0.90 0.00 0.55 0.11 0.00 0.00 0.00 178.15 179.71 2qbr h LYS 247 N -0.32 1.03 -0.68 2.37 1.57 -1.99 0.26 116.57 118.81 2qbr h LYS 247 Ca 0.12 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2qbr h LYS 247 Cb 0.50 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2qbr h LYS 247 CO -0.37 0.68 0.20 -0.22 -0.57 0.00 0.00 179.45 179.17 2qbr h LYS 248 N 1.06 1.06 -0.53 3.15 3.64 -1.83 -0.64 116.57 122.49 2qbr h LYS 248 Ca 0.34 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2qbr h LYS 248 Cb 0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2qbr h LYS 248 CO -0.12 0.93 0.18 0.28 -2.27 0.00 0.00 179.45 178.45 2qbr h VAL 249 N 1.00 1.23 -0.79 2.00 2.07 0.37 -1.35 116.25 120.77 2qbr h VAL 249 Ca 0.22 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2qbr h VAL 249 Cb 0.32 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2qbr h VAL 249 CO -0.00 0.28 0.46 0.25 0.02 0.00 0.00 177.57 178.58 2qbr h LEU 250 N 0.72 0.97 -0.95 2.57 5.85 -0.20 -1.43 115.31 122.83 2qbr h LEU 250 Ca 0.17 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 2qbr h LEU 250 Cb 0.25 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2qbr h LEU 250 CO -0.01 0.76 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.42 2qbr h LEU 251 N 1.09 0.32 -0.49 2.25 3.38 -0.79 -0.58 115.31 120.49 2qbr h LEU 251 Ca 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2qbr h LEU 251 Cb -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2qbr h LEU 251 CO -0.05 0.66 0.27 -0.08 0.09 0.00 0.00 178.44 179.33 2qbr h GLU 252 N 0.26 0.68 -0.76 1.13 4.57 -0.80 -3.02 114.58 116.64 2qbr h GLU 252 Ca 0.03 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2qbr h GLU 252 Cb 0.77 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 2qbr h GLU 252 CO 0.06 0.53 0.50 0.52 -1.18 0.00 0.00 179.01 179.44 2qbr h MET 253 N 0.65 0.98 0.00 1.92 2.86 -0.82 -2.44 114.93 118.09 2qbr h MET 253 Ca 0.17 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2qbr h MET 253 Cb 0.05 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.49 2qbr h MET 253 CO -0.03 0.65 0.00 0.54 1.06 0.00 0.00 176.91 179.13 2qbr n ARG 254 N -4.57 0.19 0.20 1.72 1.74 -0.27 -0.52 116.66 115.16 2qbr n ARG 254 Ca 0.08 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 2qbr n ARG 254 Cb 0.03 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.14 2qbr n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2qbr h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.41 -3.33 116.57 118.96 2qbr h LYS 255 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qbr h LYS 255 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2qbr h LYS 255 CO 0.00 0.00 -1.85 1.19 -0.57 0.00 0.00 179.45 178.22 2qbr n PHE 256 N -3.00 0.00 -3.64 -1.35 3.72 0.32 -4.96 117.46 108.55 2qbr n PHE 256 Ca 0.04 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.34 2qbr n PHE 256 Cb 0.53 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 2qbr n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2qbr s ARG 257 N -3.30 0.72 0.41 -1.08 3.52 -1.17 -4.56 118.95 113.49 2qbr s ARG 257 Ca -0.07 1.01 -0.25 0.00 -0.13 0.00 0.00 55.73 56.29 2qbr s ARG 257 Cb 0.12 0.27 -0.08 0.00 -1.56 0.00 0.00 34.95 33.69 2qbr s ARG 257 CO 0.78 -0.11 1.23 0.00 -0.81 0.00 0.00 175.30 176.38 2qbr s MET 258 N 0.90 3.99 0.00 5.12 0.23 -1.26 -4.23 119.30 124.05 2qbr s MET 258 Ca -0.04 1.97 0.00 0.00 -1.03 0.00 0.00 55.69 56.59 2qbr s MET 258 Cb -0.05 -2.69 0.00 0.00 -1.53 0.00 0.00 34.83 30.56 2qbr s MET 258 CO -0.09 -0.42 0.00 0.41 -2.03 0.00 0.00 175.02 172.90 2qbr n GLY 259 N 0.66 0.59 3.64 3.16 0.00 -1.26 -4.88 105.19 107.09 2qbr n GLY 259 Ca 0.04 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2qbr n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbr n LEU 260 N 0.00 3.77 -0.71 0.99 4.77 -1.26 -4.23 117.00 120.34 2qbr n LEU 260 Ca 0.00 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 2qbr n LEU 260 Cb 0.00 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 2qbr n LEU 260 CO 0.00 -0.14 -0.03 -0.38 -1.33 0.00 0.00 177.39 175.51 2qbr n ILE 261 N 6.32 -2.67 -0.06 -0.08 5.41 0.13 -4.90 119.36 123.51 2qbr n ILE 261 Ca 0.24 0.19 -0.04 0.00 1.00 0.00 0.00 62.75 64.15 2qbr n ILE 261 Cb 0.41 -2.44 -0.13 0.00 -0.71 0.00 0.00 39.64 36.77 2qbr n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbr n GLN 262 N 0.11 1.18 -4.28 0.38 1.13 -1.26 -4.91 117.38 109.73 2qbr n GLN 262 Ca 0.00 -0.05 -0.17 0.00 -1.94 0.00 0.00 57.00 54.85 2qbr n GLN 262 Cb 0.00 -1.41 -0.10 0.00 0.11 0.00 0.00 30.24 28.84 2qbr n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2qbr s THR 263 N -2.59 1.40 0.33 5.09 -4.23 -1.26 -5.03 115.64 109.35 2qbr s THR 263 Ca -0.07 -2.03 0.22 0.00 -1.18 0.00 0.00 61.69 58.62 2qbr s THR 263 Cb 0.06 -1.84 0.21 0.00 1.34 0.00 0.00 72.50 72.28 2qbr s THR 263 CO 0.66 -0.62 1.92 0.00 -0.54 0.00 0.00 174.62 176.05 2qbr h ALA 264 N 2.89 1.24 0.00 3.99 0.00 -1.94 -2.49 119.26 122.95 2qbr h ALA 264 Ca -0.38 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 2qbr h ALA 264 Cb 1.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2qbr h ALA 264 CO 0.60 0.29 -0.86 0.22 0.00 0.00 0.00 179.25 179.51 2qbr h ASP 265 N 0.00 0.01 -0.34 0.00 3.58 -1.95 -0.93 116.42 116.79 2qbr h ASP 265 Ca -0.00 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.30 2qbr h ASP 265 Cb 0.56 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2qbr h ASP 265 CO 0.03 0.86 -0.27 1.56 -2.88 0.00 0.00 179.24 178.54 2qbr h GLN 266 N 0.00 0.86 -0.15 0.28 4.20 -1.77 0.13 115.11 118.65 2qbr h GLN 266 Ca -0.01 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 2qbr h GLN 266 Cb 1.51 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 2qbr h GLN 266 CO 0.11 1.02 0.02 1.25 -0.67 0.00 0.00 178.83 180.57 2qbr h LEU 267 N 0.73 0.24 -0.70 1.46 5.85 -1.37 -0.38 115.31 121.13 2qbr h LEU 267 Ca 0.09 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2qbr h LEU 267 Cb 0.82 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 2qbr h LEU 267 CO 0.07 0.44 0.43 -0.09 -0.34 0.00 0.00 178.44 178.95 2qbr h ARG 268 N 0.03 0.80 -0.68 1.25 2.43 -0.99 -1.28 114.38 115.94 2qbr h ARG 268 Ca 0.05 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2qbr h ARG 268 Cb 0.30 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2qbr h ARG 268 CO 0.00 0.53 0.33 0.35 -1.51 0.00 0.00 179.97 179.67 2qbr h PHE 269 N 0.83 0.95 -0.70 2.20 3.04 -0.48 -1.68 116.94 121.09 2qbr h PHE 269 Ca 0.29 -0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.29 2qbr h PHE 269 Cb 0.07 -0.30 -0.06 0.00 2.56 0.00 0.00 35.95 38.22 2qbr h PHE 269 CO -0.05 0.69 0.37 0.77 -2.02 0.00 0.00 178.31 178.07 2qbr h SER 270 N 0.95 0.52 0.40 0.41 0.02 0.09 0.63 113.55 116.58 2qbr h SER 270 Ca 0.24 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2qbr h SER 270 Cb 0.09 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2qbr h SER 270 CO -0.03 0.32 -0.30 1.88 -1.14 0.00 0.00 176.83 177.56 2qbr h TYR 271 N 0.66 -0.80 -0.57 3.45 0.05 -0.80 -1.52 116.97 117.45 2qbr h TYR 271 Ca 0.33 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.20 2qbr h TYR 271 Cb 0.27 0.30 -0.11 0.00 1.01 0.00 0.00 36.73 38.20 2qbr h TYR 271 CO -0.09 -0.45 -0.37 -0.07 -1.05 0.00 0.00 178.16 176.13 2qbr h LEU 272 N -0.70 -1.29 -0.43 3.88 4.07 -0.43 0.38 115.31 120.79 2qbr h LEU 272 Ca -0.04 0.23 0.04 0.00 0.08 0.00 0.00 57.88 58.19 2qbr h LEU 272 Cb 0.60 0.61 -0.04 0.00 1.08 0.00 0.00 40.66 42.91 2qbr h LEU 272 CO 0.01 -0.32 0.20 0.00 -1.08 0.00 0.00 178.44 177.24 2qbr h ALA 273 N 0.83 0.53 -0.18 1.53 0.00 -0.79 -1.40 119.26 119.78 2qbr h ALA 273 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2qbr h ALA 273 Cb 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2qbr h ALA 273 CO -0.67 -0.17 0.05 0.28 0.00 0.00 0.00 179.25 178.74 2qbr h VAL 274 N 0.40 1.20 -0.98 0.00 2.07 -0.43 0.26 116.25 118.76 2qbr h VAL 274 Ca 0.19 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2qbr h VAL 274 Cb 0.12 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2qbr h VAL 274 CO -0.15 0.19 0.63 0.40 0.02 0.00 0.00 177.57 178.66 2qbr h ILE 275 N 0.10 1.26 -0.05 4.57 2.04 -0.79 0.21 117.51 124.84 2qbr h ILE 275 Ca 0.06 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 2qbr h ILE 275 Cb 0.25 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2qbr h ILE 275 CO -0.00 0.26 -0.05 -0.08 0.00 0.00 0.00 178.15 178.28 2qbr h GLU 276 N 1.34 0.12 -0.35 2.37 4.57 -1.13 -3.15 114.58 118.36 2qbr h GLU 276 Ca 0.36 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 58.54 2qbr h GLU 276 Cb -0.12 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 2qbr h GLU 276 CO -0.07 0.57 0.24 0.78 -1.18 0.00 0.00 179.01 179.35 2qbr h GLY 277 N -0.33 0.23 0.64 1.92 0.00 -0.16 -1.72 103.07 103.65 2qbr h GLY 277 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 47.33 47.41 2qbr h GLY 277 CO 0.01 0.05 0.53 0.00 0.00 0.00 0.00 176.54 177.14 2qbr h ALA 278 N 1.82 1.97 -0.40 3.60 0.00 -0.91 -1.37 119.26 123.97 2qbr h ALA 278 Ca 0.16 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2qbr h ALA 278 Cb 0.40 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2qbr h ALA 278 CO -0.02 -0.18 -0.14 0.87 0.00 0.00 0.00 179.25 179.77 2qbr h LYS 279 N 0.55 -0.05 0.26 0.00 1.57 -1.42 0.79 116.57 118.28 2qbr h LYS 279 Ca 0.40 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2qbr h LYS 279 Cb 0.76 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2qbr h LYS 279 CO -0.15 -0.03 -0.12 0.35 -0.57 0.00 0.00 179.45 178.92 2qbr h PHE 280 N -0.05 -0.32 -0.99 -1.35 3.57 -1.37 -1.92 116.94 114.50 2qbr h PHE 280 Ca 0.20 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.93 2qbr h PHE 280 Cb 0.35 0.11 -0.13 0.00 2.79 0.00 0.00 35.95 39.07 2qbr h PHE 280 CO -0.39 -0.13 0.57 0.82 -2.23 0.00 0.00 178.31 176.96 2qbr h ILE 281 N -0.45 0.52 -0.29 1.41 1.08 -0.96 -1.59 117.51 117.24 2qbr h ILE 281 Ca -0.04 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 2qbr h ILE 281 Cb 0.34 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 2qbr h ILE 281 CO 0.06 0.10 0.05 0.23 -0.69 0.00 0.00 178.15 177.90 2qbr n MET 282 N -4.91 2.58 0.00 2.37 2.81 0.21 -4.88 117.12 115.30 2qbr n MET 282 Ca 0.26 -1.41 0.00 0.00 -1.81 0.00 0.00 57.70 54.75 2qbr n MET 282 Cb 0.74 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 2qbr n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbr n GLY 283 N 0.20 0.62 3.12 3.03 0.00 -0.60 -5.02 105.19 106.54 2qbr n GLY 283 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2qbr n GLY 283 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbr n ASP 284 N 0.00 5.33 0.13 1.61 -0.08 -0.74 -4.75 116.55 118.05 2qbr n ASP 284 Ca 0.00 -3.10 0.11 0.00 -1.51 0.00 0.00 54.79 50.29 2qbr n ASP 284 Cb 0.00 -1.48 0.49 0.00 2.34 0.00 0.00 41.12 42.47 2qbr n ASP 284 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2qbr n SER 285 N 4.07 0.55 -0.11 1.67 7.64 -1.26 -2.75 113.62 123.43 2qbr n SER 285 Ca 0.36 0.68 0.06 0.00 1.01 0.00 0.00 58.87 60.98 2qbr n SER 285 Cb 0.38 -0.78 0.38 0.00 -1.01 0.00 0.00 64.21 63.19 2qbr n SER 285 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2qbr h SER 286 N 0.00 0.58 0.23 6.43 0.87 -1.96 -2.98 113.55 116.73 2qbr h SER 286 Ca 0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2qbr h SER 286 Cb 0.21 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2qbr h SER 286 CO 0.00 0.39 -0.11 -0.37 -0.53 0.00 0.00 176.83 176.22 2qbr h VAL 287 N 0.67 0.71 -0.87 2.23 -1.51 -1.91 -3.03 116.25 112.54 2qbr h VAL 287 Ca 0.25 -0.43 0.01 0.00 -1.23 0.00 0.00 66.70 65.30 2qbr h VAL 287 Cb 0.14 1.26 -0.04 0.00 -2.13 0.00 0.00 31.29 30.52 2qbr h VAL 287 CO -0.07 0.10 0.58 -0.61 -1.23 0.00 0.00 177.57 176.34 2qbr h GLN 288 N 0.00 1.14 -0.10 5.19 4.15 -1.76 -0.52 115.11 123.22 2qbr h GLN 288 Ca -0.00 -0.07 -0.17 0.00 0.77 0.00 0.00 58.65 59.18 2qbr h GLN 288 Cb 0.25 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2qbr h GLN 288 CO 0.01 0.75 -0.68 -0.44 -1.93 0.00 0.00 178.83 176.55 2qbr h ASP 289 N 1.17 0.48 -0.44 -0.69 3.32 -1.73 -2.71 116.42 115.82 2qbr h ASP 289 Ca 0.32 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2qbr h ASP 289 Cb -0.11 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2qbr h ASP 289 CO -0.07 1.02 0.23 1.56 -1.72 0.00 0.00 179.24 180.26 2qbr h GLN 290 N 0.29 0.62 -0.33 3.56 4.20 -1.36 -0.10 115.11 121.99 2qbr h GLN 290 Ca -0.02 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2qbr h GLN 290 Cb 1.24 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 2qbr h GLN 290 CO 0.12 0.51 0.10 -1.49 -0.67 0.00 0.00 178.83 177.40 2qbr h TRP 291 N 0.58 0.47 -0.05 2.96 6.55 -1.04 -1.76 115.95 123.65 2qbr h TRP 291 Ca 0.16 -0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.93 2qbr h TRP 291 Cb 0.07 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.23 2qbr h TRP 291 CO -0.02 0.40 -0.14 -0.22 -1.05 0.00 0.00 178.44 177.42 2qbr h LYS 292 N 0.47 0.18 -0.01 0.49 3.64 -1.12 -1.97 116.57 118.26 2qbr h LYS 292 Ca 0.11 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2qbr h LYS 292 Cb 0.15 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2qbr h LYS 292 CO -0.01 0.74 0.01 0.93 -2.27 0.00 0.00 179.45 178.85 2qbr h GLU 293 N -0.35 0.00 0.00 1.90 4.39 -0.72 -2.77 114.58 117.03 2qbr h GLU 293 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qbr h GLU 293 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2qbr h GLU 293 CO 0.03 0.00 -1.25 -0.11 -1.16 0.00 0.00 179.01 176.51 2qbr n LEU 294 N -4.09 0.70 0.13 1.33 0.00 -0.69 -4.04 117.00 110.34 2qbr n LEU 294 Ca -0.03 -0.33 0.02 0.00 0.00 0.00 0.00 56.01 55.67 2qbr n LEU 294 Cb 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 43.42 43.51 2qbr n LEU 294 CO 0.30 0.17 0.42 0.77 0.00 0.00 0.00 177.39 179.04 2qbr h SER 295 N 0.00 0.00 -2.43 1.96 4.64 -1.05 -3.44 113.55 113.22 2qbr h SER 295 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 2qbr h SER 295 Cb 0.65 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2qbr h SER 295 CO 0.00 0.55 -0.36 1.41 -0.87 0.00 0.00 176.83 177.56 2qbr n HIS 296 N -3.23 -0.93 0.28 4.77 8.25 -1.22 -4.90 115.22 118.24 2qbr n HIS 296 Ca 0.01 0.16 0.16 0.00 -0.26 0.00 0.00 57.72 57.79 2qbr n HIS 296 Cb 0.76 -3.05 0.77 0.00 1.12 0.00 0.00 29.99 29.59 2qbr n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2qbr h GLU 297 N -0.43 0.00 0.19 -0.41 4.11 -1.91 -3.29 114.58 112.84 2qbr h GLU 297 Ca -0.32 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.79 2qbr h GLU 297 Cb 1.23 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.51 2qbr h GLU 297 CO 0.37 0.00 -1.37 -0.44 0.07 0.00 0.00 179.01 177.63 2qbr h ASP 298 N 0.00 0.83 0.00 3.06 3.32 -1.91 0.39 116.42 122.11 2qbr h ASP 298 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 57.03 56.21 2qbr h ASP 298 Cb 0.16 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2qbr h ASP 298 CO 0.00 1.65 0.00 0.18 -1.72 0.00 0.00 179.24 179.35