#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i57 n MET 3 N 0.00 -0.15 0.09 5.31 1.56 -1.26 0.41 117.12 123.07 1i57 n MET 3 Ca 0.00 1.28 -0.07 0.00 -0.27 0.00 0.00 57.70 58.63 1i57 n MET 3 Cb 0.00 -1.90 0.02 0.00 2.15 0.00 0.00 33.22 33.49 1i57 n MET 3 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1i57 h GLU 4 N 0.00 0.19 0.23 2.12 5.08 -1.98 -1.55 114.58 118.66 1i57 h GLU 4 Ca 0.33 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1i57 h GLU 4 Cb 0.53 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1i57 h GLU 4 CO -0.83 0.90 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.75 1i57 h LYS 5 N 0.11 -0.30 -0.03 2.33 3.64 -0.49 -0.55 116.57 121.29 1i57 h LYS 5 Ca -0.03 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1i57 h LYS 5 Cb 1.41 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1i57 h LYS 5 CO 0.12 -0.15 0.02 1.49 -2.27 0.00 0.00 179.45 178.66 1i57 h GLU 6 N -0.37 0.04 -0.54 1.90 4.81 -0.53 -0.61 114.58 119.28 1i57 h GLU 6 Ca -0.03 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.30 1i57 h GLU 6 Cb 0.28 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 1i57 h GLU 6 CO 0.05 0.08 -0.16 0.35 -0.73 0.00 0.00 179.01 178.60 1i57 h PHE 7 N -0.01 -0.37 -0.71 0.92 3.57 -1.12 0.22 116.94 119.43 1i57 h PHE 7 Ca 0.01 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1i57 h PHE 7 Cb 0.05 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1i57 h PHE 7 CO -0.06 -0.26 0.36 0.93 -2.23 0.00 0.00 178.31 177.05 1i57 h GLU 8 N -0.03 1.01 0.28 1.11 4.39 -0.73 0.23 114.58 120.84 1i57 h GLU 8 Ca 0.26 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1i57 h GLU 8 Cb 0.43 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1i57 h GLU 8 CO -0.57 0.78 -0.14 0.37 -1.16 0.00 0.00 179.01 178.29 1i57 h GLN 9 N 0.99 -0.37 -0.58 2.33 -0.00 0.22 0.75 115.11 118.46 1i57 h GLN 9 Ca 0.25 0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.98 1i57 h GLN 9 Cb 0.08 0.08 -0.05 0.00 0.00 0.00 0.00 27.48 27.59 1i57 h GLN 9 CO -0.04 -0.10 0.30 0.82 0.00 0.00 0.00 178.83 179.81 1i57 h ILE 10 N -0.60 0.95 -0.58 2.39 2.04 -0.51 0.26 117.51 121.46 1i57 h ILE 10 Ca -0.04 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1i57 h ILE 10 Cb 0.43 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1i57 h ILE 10 CO 0.06 0.10 0.01 -0.78 0.00 0.00 0.00 178.15 177.55 1i57 h ASP 11 N 0.57 0.98 -0.07 1.72 3.58 -0.45 0.15 116.42 122.89 1i57 h ASP 11 Ca 0.26 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1i57 h ASP 11 Cb 0.17 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 1i57 h ASP 11 CO -0.18 1.03 -0.08 0.11 -2.88 0.00 0.00 179.24 177.23 1i57 h LYS 12 N 0.92 0.19 0.00 0.28 6.56 -0.27 -2.99 116.57 121.26 1i57 h LYS 12 Ca 0.17 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1i57 h LYS 12 Cb 0.52 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 1i57 h LYS 12 CO 0.03 0.64 0.00 0.66 -2.06 0.00 0.00 179.45 178.71 1i57 h SER 13 N -0.25 0.00 -0.64 0.86 4.64 -0.40 -3.47 113.55 114.29 1i57 h SER 13 Ca 0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1i57 h SER 13 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1i57 h SER 13 CO 0.02 0.00 -0.14 0.61 -0.87 0.00 0.00 176.83 176.45 1i57 n GLY 14 N 0.23 0.40 1.88 -0.77 0.00 0.44 -4.96 105.19 102.42 1i57 n GLY 14 Ca 0.02 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 1i57 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i57 n SER 15 N 0.92 4.69 0.10 1.61 3.41 -0.66 -4.60 113.62 119.10 1i57 n SER 15 Ca -0.07 -3.14 -0.12 0.00 -0.26 0.00 0.00 58.87 55.29 1i57 n SER 15 Cb 0.41 -0.83 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 1i57 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1i57 h TRP 16 N 1.00 -0.28 -0.99 7.33 4.06 -1.93 -0.70 115.95 124.44 1i57 h TRP 16 Ca 0.41 -0.01 0.15 0.00 2.06 0.00 0.00 58.89 61.50 1i57 h TRP 16 Cb 1.74 0.09 -0.09 0.00 -1.00 0.00 0.00 29.16 29.91 1i57 h TRP 16 CO 1.03 0.10 0.62 0.00 -3.56 0.00 0.00 178.44 176.64 1i57 h ALA 17 N -0.29 1.63 -0.34 1.49 0.00 -1.91 0.29 119.26 120.12 1i57 h ALA 17 Ca -0.03 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1i57 h ALA 17 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1i57 h ALA 17 CO 0.05 0.09 -0.37 0.00 0.00 0.00 0.00 179.25 179.02 1i57 h ALA 18 N 1.58 0.70 -0.40 0.00 0.00 -1.87 0.24 119.26 119.51 1i57 h ALA 18 Ca 0.52 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1i57 h ALA 18 Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1i57 h ALA 18 CO -0.29 0.66 -0.34 0.82 0.00 0.00 0.00 179.25 180.10 1i57 h ILE 19 N 0.66 1.27 -0.63 0.00 1.08 0.19 -1.99 117.51 118.09 1i57 h ILE 19 Ca 0.06 -1.51 -0.09 0.00 -0.39 0.00 0.00 64.86 62.93 1i57 h ILE 19 Cb 0.92 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 1i57 h ILE 19 CO 0.08 0.51 0.04 0.22 -0.69 0.00 0.00 178.15 178.32 1i57 h TYR 20 N 0.77 1.16 -0.75 1.37 3.20 -0.28 -2.67 116.97 119.77 1i57 h TYR 20 Ca 0.07 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 1i57 h TYR 20 Cb 0.93 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1i57 h TYR 20 CO 0.06 1.00 0.33 0.37 -1.64 0.00 0.00 178.16 178.28 1i57 h GLN 21 N 0.98 1.09 -0.95 1.82 5.75 -0.46 -1.51 115.11 121.82 1i57 h GLN 21 Ca 0.18 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1i57 h GLN 21 Cb 0.51 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 1i57 h GLN 21 CO 0.02 0.86 0.63 0.22 -2.65 0.00 0.00 178.83 177.91 1i57 h ASP 22 N 1.07 1.05 -0.39 -0.69 3.58 -1.04 0.32 116.42 120.33 1i57 h ASP 22 Ca 0.25 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.58 1i57 h ASP 22 Cb 0.16 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1i57 h ASP 22 CO -0.03 0.73 -0.18 0.40 -2.88 0.00 0.00 179.24 177.29 1i57 h ILE 23 N 1.23 1.28 -0.46 2.25 2.04 -1.07 -1.14 117.51 121.63 1i57 h ILE 23 Ca 0.37 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1i57 h ILE 23 Cb -0.03 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1i57 h ILE 23 CO -0.11 0.43 0.20 0.03 0.00 0.00 0.00 178.15 178.71 1i57 h ARG 24 N 0.60 0.39 -0.75 2.37 3.08 -0.50 0.13 114.38 119.71 1i57 h ARG 24 Ca 0.09 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1i57 h ARG 24 Cb 0.73 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1i57 h ARG 24 CO 0.05 0.26 0.23 0.45 -1.07 0.00 0.00 179.97 179.89 1i57 h HIS 25 N 0.40 1.21 0.00 3.04 3.86 -0.75 -3.00 115.15 119.91 1i57 h HIS 25 Ca 0.21 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1i57 h HIS 25 Cb 0.16 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1i57 h HIS 25 CO -0.13 0.95 -0.12 0.93 0.86 0.00 0.00 177.93 180.42 1i57 h GLU 26 N 1.12 0.00 -6.77 2.45 5.08 -0.87 -3.47 114.58 112.12 1i57 h GLU 26 Ca 0.24 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.03 1i57 h GLU 26 Cb 0.31 0.00 0.14 0.00 0.50 0.00 0.00 28.75 29.71 1i57 h GLU 26 CO -0.01 0.00 0.24 0.00 -1.00 0.00 0.00 179.01 178.24 1i57 n ALA 27 N -2.01 0.49 -1.59 3.43 0.00 0.44 -4.92 120.51 116.34 1i57 n ALA 27 Ca 0.04 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.26 1i57 n ALA 27 Cb 0.50 -2.14 0.06 0.00 0.00 0.00 0.00 19.45 17.87 1i57 n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i57 n SER 28 N -0.05 0.76 -3.65 0.00 7.64 -1.26 -5.02 113.62 112.04 1i57 n SER 28 Ca 0.10 0.78 -0.29 0.00 1.01 0.00 0.00 58.87 60.47 1i57 n SER 28 Cb 0.42 -1.40 -0.15 0.00 -1.01 0.00 0.00 64.21 62.07 1i57 n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i57 s ASP 29 N -1.33 3.64 0.32 6.43 2.15 -1.26 -4.94 116.67 121.68 1i57 s ASP 29 Ca 0.77 -1.36 0.10 0.00 0.43 0.00 0.00 52.55 52.48 1i57 s ASP 29 Cb -0.40 -0.60 -0.06 0.00 -0.30 0.00 0.00 42.92 41.56 1i57 s ASP 29 CO 0.46 -0.41 -0.13 -0.36 -0.17 0.00 0.00 175.17 174.57 1i57 s PHE 30 N 1.86 2.34 0.53 -5.34 0.08 -1.26 -5.11 117.98 111.08 1i57 s PHE 30 Ca 0.08 -0.46 -0.20 0.00 0.12 0.00 0.00 56.93 56.46 1i57 s PHE 30 Cb -0.17 -1.24 -0.06 0.00 -0.57 0.00 0.00 43.02 40.98 1i57 s PHE 30 CO -0.27 0.61 1.18 -1.25 -0.10 0.00 0.00 175.22 175.38 1i57 s PRO 31 N -3.59 3.35 -0.35 0.24 0.04 -1.26 -4.86 135.00 128.58 1i57 s PRO 31 Ca 0.31 1.77 0.12 0.00 0.04 0.00 0.00 61.00 63.25 1i57 s PRO 31 Cb 0.00 -2.12 0.45 0.00 0.04 0.00 0.00 34.50 32.87 1i57 s PRO 31 CO 0.16 -0.89 1.08 0.00 0.04 0.00 0.00 177.00 177.39 1i57 h ARG 33 N 2.61 -0.25 -0.64 0.00 2.43 -1.92 -1.31 114.38 115.30 1i57 h ARG 33 Ca 0.14 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1i57 h ARG 33 Cb 1.18 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1i57 h ARG 33 CO 0.63 -0.17 0.40 0.28 -1.51 0.00 0.00 179.97 179.59 1i57 h VAL 34 N -0.26 1.08 -0.28 0.20 2.07 -1.92 -1.67 116.25 115.47 1i57 h VAL 34 Ca 0.13 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1i57 h VAL 34 Cb 0.46 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1i57 h VAL 34 CO -0.37 0.14 0.19 0.00 0.02 0.00 0.00 177.57 177.55 1i57 h ALA 35 N 1.28 1.80 -0.00 1.67 0.00 -1.71 -2.65 119.26 119.64 1i57 h ALA 35 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1i57 h ALA 35 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1i57 h ALA 35 CO -0.10 0.18 -0.14 1.63 0.00 0.00 0.00 179.25 180.82 1i57 n LYS 36 N -4.50 0.75 -1.76 0.00 4.76 -0.54 -4.70 118.16 112.19 1i57 n LYS 36 Ca 0.01 -0.31 -0.41 0.00 -2.87 0.00 0.00 58.31 54.74 1i57 n LYS 36 Cb 0.07 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 31.78 1i57 n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1i57 n LEU 37 N -0.85 4.81 -0.29 -0.35 4.77 -1.00 -4.89 117.00 119.21 1i57 n LEU 37 Ca 0.14 1.15 0.18 0.00 -0.03 0.00 0.00 56.01 57.45 1i57 n LEU 37 Cb 0.29 -1.59 0.46 0.00 -2.33 0.00 0.00 43.42 40.25 1i57 n LEU 37 CO 0.24 -0.14 1.22 -0.65 -1.33 0.00 0.00 177.39 176.73 1i57 h PRO 38 N 2.47 0.50 0.00 3.23 0.11 -1.91 0.47 132.00 136.87 1i57 h PRO 38 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1i57 h PRO 38 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1i57 h PRO 38 CO 0.62 0.33 0.00 0.36 -0.21 0.00 0.00 178.00 179.10 1i57 n LYS 39 N -4.59 0.20 -0.32 1.05 2.85 -1.26 -2.99 118.16 113.10 1i57 n LYS 39 Ca 0.21 0.42 0.09 0.00 -1.05 0.00 0.00 58.31 57.98 1i57 n LYS 39 Cb 0.68 -1.88 0.26 0.00 -0.65 0.00 0.00 35.03 33.44 1i57 n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1i57 n ASN 40 N -2.26 3.63 -0.21 -5.58 3.02 0.15 -4.58 115.26 109.44 1i57 n ASN 40 Ca 0.02 -2.09 0.00 0.00 -0.03 0.00 0.00 54.58 52.49 1i57 n ASN 40 Cb 0.24 -0.40 0.11 0.00 -0.61 0.00 0.00 39.78 39.12 1i57 n ASN 40 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1i57 h LYS 41 N 3.27 0.41 0.00 3.52 1.57 -1.57 -1.35 116.57 122.41 1i57 h LYS 41 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i57 h LYS 41 Cb 0.96 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1i57 h LYS 41 CO 0.03 0.27 0.00 0.09 -0.57 0.00 0.00 179.45 179.27 1i57 n ASN 42 N -4.99 0.00 -0.55 0.86 3.02 -1.26 -2.82 115.26 109.52 1i57 n ASN 42 Ca 0.09 -0.39 0.13 0.00 -0.03 0.00 0.00 54.58 54.38 1i57 n ASN 42 Cb 0.28 -0.18 0.31 0.00 -0.61 0.00 0.00 39.78 39.58 1i57 n ASN 42 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1i57 n ARG 43 N -1.18 1.57 -4.76 3.52 1.74 -0.51 -4.88 116.66 112.16 1i57 n ARG 43 Ca 0.16 -1.10 -0.33 0.00 -0.77 0.00 0.00 57.85 55.81 1i57 n ARG 43 Cb 0.17 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 29.99 1i57 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1i57 s ASN 44 N -2.19 4.07 0.01 0.55 0.01 -1.13 -4.47 114.94 111.80 1i57 s ASN 44 Ca 0.29 -0.30 -0.21 0.00 -0.71 0.00 0.00 52.86 51.94 1i57 s ASN 44 Cb 0.20 -1.54 -0.18 0.00 0.41 0.00 0.00 41.25 40.14 1i57 s ASN 44 CO 0.40 0.19 1.24 -0.09 -1.51 0.00 0.00 177.10 177.33 1i57 h ARG 45 N 6.55 0.32 -5.56 -0.60 2.43 -1.89 -3.45 114.38 112.19 1i57 h ARG 45 Ca -0.28 -0.22 -0.59 0.00 -0.81 0.00 0.00 59.98 58.07 1i57 h ARG 45 Cb 1.21 0.03 -0.31 0.00 -0.42 0.00 0.00 29.97 30.48 1i57 h ARG 45 CO 0.55 0.83 -0.85 0.71 -1.51 0.00 0.00 179.97 179.71 1i57 s TYR 46 N -3.88 1.86 -0.22 2.20 2.02 -1.26 -5.00 117.35 113.06 1i57 s TYR 46 Ca -0.14 -0.50 0.28 0.00 -0.37 0.00 0.00 57.07 56.34 1i57 s TYR 46 Cb 0.04 -1.23 1.10 0.00 -0.40 0.00 0.00 41.96 41.47 1i57 s TYR 46 CO 0.76 -0.15 1.84 0.07 -1.57 0.00 0.00 175.55 176.50 1i57 h ARG 47 N 6.09 0.00 -0.14 -0.62 0.11 -1.96 -2.92 114.38 114.93 1i57 h ARG 47 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 1i57 h ARG 47 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1i57 h ARG 47 CO 0.48 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.15 1i57 n ASP 48 N -2.70 1.26 -3.62 0.08 5.75 -1.26 -4.57 116.55 111.49 1i57 n ASP 48 Ca 0.02 -1.68 -0.29 0.00 -0.01 0.00 0.00 54.79 52.83 1i57 n ASP 48 Cb 0.30 -0.09 -0.15 0.00 -1.03 0.00 0.00 41.12 40.16 1i57 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1i57 s VAL 49 N -1.82 0.44 0.17 2.12 1.01 -1.10 -4.98 120.40 116.23 1i57 s VAL 49 Ca 0.29 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1i57 s VAL 49 Cb 0.15 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1i57 s VAL 49 CO 0.23 -0.75 -0.16 -0.44 0.00 0.00 0.00 175.10 173.99 1i57 s SER 50 N 1.67 2.44 0.10 3.32 0.01 -1.26 -4.65 113.70 115.32 1i57 s SER 50 Ca 0.11 -0.90 -0.21 0.00 1.31 0.00 0.00 55.95 56.25 1i57 s SER 50 Cb -0.18 -0.12 -0.07 0.00 0.21 0.00 0.00 66.02 65.86 1i57 s SER 50 CO -0.25 -0.12 0.64 -2.16 0.41 0.00 0.00 173.24 171.76 1i57 s PRO 51 N -3.07 4.32 0.55 12.44 0.04 -1.26 -4.40 135.00 143.62 1i57 s PRO 51 Ca 0.16 0.87 -0.21 0.00 0.04 0.00 0.00 61.00 61.87 1i57 s PRO 51 Cb -0.04 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 1i57 s PRO 51 CO 0.06 0.59 1.24 -0.06 0.04 0.00 0.00 177.00 178.87 1i57 s PHE 52 N -1.04 2.47 0.27 0.56 0.08 -1.26 -4.52 117.98 114.54 1i57 s PHE 52 Ca 0.31 1.48 -0.04 0.00 0.12 0.00 0.00 56.93 58.80 1i57 s PHE 52 Cb -0.21 -3.55 0.34 0.00 -0.57 0.00 0.00 43.02 39.03 1i57 s PHE 52 CO 0.21 -2.25 1.92 -0.44 -0.10 0.00 0.00 175.22 174.57 1i57 h ASP 53 N 1.34 1.04 -0.37 1.36 3.32 -1.32 -2.37 116.42 119.42 1i57 h ASP 53 Ca -0.50 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 1i57 h ASP 53 Cb 1.29 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1i57 h ASP 53 CO 0.57 0.78 0.23 1.12 -1.72 0.00 0.00 179.24 180.22 1i57 h HIS 54 N 1.20 0.49 -0.10 4.55 2.07 -1.91 -3.09 115.15 118.37 1i57 h HIS 54 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 1i57 h HIS 54 Cb -0.08 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 29.74 1i57 h HIS 54 CO 0.00 0.33 0.00 -1.13 -3.07 0.00 0.00 177.93 174.07 1i57 n SER 55 N -4.45 2.54 -4.82 3.10 3.41 -1.14 -5.05 113.62 107.21 1i57 n SER 55 Ca 0.03 -2.47 -0.33 0.00 -0.26 0.00 0.00 58.87 55.84 1i57 n SER 55 Cb 0.08 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 63.77 1i57 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i57 s ARG 56 N -1.82 3.63 -0.13 4.33 1.70 -0.90 0.15 118.95 125.90 1i57 s ARG 56 Ca 0.20 1.12 -0.20 0.00 -0.47 0.00 0.00 55.73 56.38 1i57 s ARG 56 Cb 0.15 -2.08 -0.04 0.00 -0.57 0.00 0.00 34.95 32.42 1i57 s ARG 56 CO 0.05 -0.55 0.56 0.42 -1.08 0.00 0.00 175.30 174.70 1i57 s ILE 57 N -2.47 5.12 -0.15 4.99 -1.09 -0.15 -4.73 121.20 122.71 1i57 s ILE 57 Ca 0.62 1.11 -0.07 0.00 -2.23 0.00 0.00 60.65 60.07 1i57 s ILE 57 Cb -0.13 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1i57 s ILE 57 CO 0.33 0.26 0.11 -0.54 -1.23 0.00 0.00 174.94 173.86 1i57 s LYS 58 N 0.98 3.71 0.45 2.79 1.02 -1.26 -4.07 119.74 123.37 1i57 s LYS 58 Ca 0.29 -0.22 -0.21 0.00 0.02 0.00 0.00 55.97 55.85 1i57 s LYS 58 Cb -0.16 -3.22 -0.10 0.00 -0.52 0.00 0.00 37.83 33.83 1i57 s LYS 58 CO 0.12 0.54 0.99 -0.51 -0.92 0.00 0.00 175.35 175.57 1i57 s LEU 59 N -0.35 3.92 -0.24 3.17 1.43 0.44 -4.93 118.68 122.11 1i57 s LEU 59 Ca 0.11 1.81 -0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1i57 s LEU 59 Cb -0.12 -4.52 0.19 0.00 0.03 0.00 0.00 46.19 41.77 1i57 s LEU 59 CO 0.01 -0.54 1.88 1.41 0.23 0.00 0.00 176.35 179.34 1i57 n HIS 60 N -0.73 1.25 -3.84 0.29 8.25 -1.26 -4.57 115.22 114.60 1i57 n HIS 60 Ca 0.08 -1.64 -0.30 0.00 -0.26 0.00 0.00 57.72 55.60 1i57 n HIS 60 Cb 0.53 -0.80 -0.04 0.00 1.12 0.00 0.00 29.99 30.80 1i57 n HIS 60 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1i57 s GLN 61 N -1.45 3.49 -0.03 -0.41 -0.21 -1.26 -5.02 119.66 114.77 1i57 s GLN 61 Ca 0.25 -0.36 -0.08 0.00 0.02 0.00 0.00 55.36 55.18 1i57 s GLN 61 Cb 0.20 -2.97 -0.30 0.00 1.00 0.00 0.00 33.01 30.94 1i57 s GLN 61 CO 0.01 0.55 0.74 0.93 -2.12 0.00 0.00 175.29 175.39 1i57 h GLU 62 N 2.83 0.35 0.00 2.91 5.08 -2.02 -3.37 114.58 120.36 1i57 h GLU 62 Ca -0.46 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.31 1i57 h GLU 62 Cb 1.17 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1i57 h GLU 62 CO 0.74 1.24 0.00 -3.47 -1.00 0.00 0.00 179.01 176.52 1i57 n ASP 63 N -3.54 0.00 -3.67 1.42 2.03 -1.26 -4.70 116.55 106.84 1i57 n ASP 63 Ca -0.22 0.95 -0.20 0.00 0.52 0.00 0.00 54.79 55.85 1i57 n ASP 63 Cb 1.07 -0.45 -0.18 0.00 -0.72 0.00 0.00 41.12 40.84 1i57 n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1i57 s ASN 64 N -2.37 1.12 -0.02 1.67 3.84 -1.26 -5.02 114.94 112.90 1i57 s ASN 64 Ca 0.00 0.09 0.13 0.00 0.21 0.00 0.00 52.86 53.29 1i57 s ASN 64 Cb 0.00 -0.08 0.39 0.00 -0.55 0.00 0.00 41.25 41.02 1i57 s ASN 64 CO 0.00 -0.25 1.31 -0.90 -2.79 0.00 0.00 177.10 174.47 1i57 n ASP 65 N 5.30 2.49 -4.72 -4.21 5.68 -1.26 -4.65 116.55 115.19 1i57 n ASP 65 Ca -0.03 -2.06 -0.40 0.00 -0.50 0.00 0.00 54.79 51.80 1i57 n ASP 65 Cb 0.50 -0.33 -0.05 0.00 -1.14 0.00 0.00 41.12 40.11 1i57 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1i57 s TYR 66 N -1.49 3.59 -0.03 2.11 5.04 -1.26 -0.42 117.35 124.90 1i57 s TYR 66 Ca 0.29 1.28 -0.07 0.00 -2.44 0.00 0.00 57.07 56.13 1i57 s TYR 66 Cb 0.16 -2.82 0.01 0.00 0.35 0.00 0.00 41.96 39.66 1i57 s TYR 66 CO 0.19 0.10 0.16 -1.50 -1.34 0.00 0.00 175.55 173.15 1i57 s ILE 67 N 0.75 0.05 -1.07 3.14 2.07 -1.26 -4.89 121.20 119.99 1i57 s ILE 67 Ca 0.38 -0.40 -0.21 0.00 -1.41 0.00 0.00 60.65 59.01 1i57 s ILE 67 Cb -0.18 -0.36 0.07 0.00 0.13 0.00 0.00 42.46 42.12 1i57 s ILE 67 CO 0.19 -0.22 1.46 0.21 -1.91 0.00 0.00 174.94 174.67 1i57 s ASN 68 N -0.77 6.61 -0.12 4.50 3.84 -1.26 -4.59 114.94 123.16 1i57 s ASN 68 Ca -0.09 -1.80 -0.28 0.00 0.21 0.00 0.00 52.86 50.90 1i57 s ASN 68 Cb -0.05 -2.54 0.07 0.00 -0.55 0.00 0.00 41.25 38.18 1i57 s ASN 68 CO 0.01 -1.35 0.67 0.00 -2.79 0.00 0.00 177.10 173.65 1i57 s ALA 69 N 4.36 -1.71 0.06 1.71 0.00 -1.26 -2.76 121.76 122.15 1i57 s ALA 69 Ca 0.46 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.98 1i57 s ALA 69 Cb 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1i57 s ALA 69 CO -0.06 -0.35 -0.15 -1.12 0.00 0.00 0.00 175.76 174.08 1i57 s SER 70 N -0.65 1.83 -0.33 0.00 0.01 0.39 -0.98 113.70 113.97 1i57 s SER 70 Ca -0.07 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.46 1i57 s SER 70 Cb -0.02 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1i57 s SER 70 CO 0.07 0.01 0.57 -0.22 0.41 0.00 0.00 173.24 174.07 1i57 s LEU 71 N -1.41 4.24 -0.34 2.44 2.96 0.12 -1.14 118.68 125.55 1i57 s LEU 71 Ca 0.01 0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.99 1i57 s LEU 71 Cb -0.09 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 1i57 s LEU 71 CO 0.02 -0.48 0.23 -0.63 -1.32 0.00 0.00 176.35 174.17 1i57 s ILE 72 N 2.50 5.18 -0.34 6.68 1.09 0.12 -4.88 121.20 131.55 1i57 s ILE 72 Ca 0.22 -0.27 -0.03 0.00 -1.10 0.00 0.00 60.65 59.47 1i57 s ILE 72 Cb -0.15 -3.67 0.07 0.00 -1.06 0.00 0.00 42.46 37.64 1i57 s ILE 72 CO 0.13 -0.01 0.09 -0.75 -0.10 0.00 0.00 174.94 174.29 1i57 s LYS 73 N 1.70 2.33 -0.44 2.79 2.20 -1.26 -0.67 119.74 126.38 1i57 s LYS 73 Ca 0.06 -1.43 -0.19 0.00 -0.36 0.00 0.00 55.97 54.05 1i57 s LYS 73 Cb -0.17 -3.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1i57 s LYS 73 CO 0.10 -0.77 0.52 -1.64 -0.36 0.00 0.00 175.35 173.20 1i57 s MET 74 N 1.24 3.15 0.04 4.03 -1.94 0.28 -4.96 119.30 121.14 1i57 s MET 74 Ca -0.00 -0.68 -0.29 0.00 -1.71 0.00 0.00 55.69 53.00 1i57 s MET 74 Cb -0.21 -3.99 -0.17 0.00 2.01 0.00 0.00 34.83 32.47 1i57 s MET 74 CO -0.01 -0.96 1.40 0.93 -0.01 0.00 0.00 175.02 176.37 1i57 h GLU 75 N 8.81 -0.75 -0.21 2.03 4.39 -1.97 -0.53 114.58 126.36 1i57 h GLU 75 Ca -0.26 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.50 1i57 h GLU 75 Cb 1.10 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1i57 h GLU 75 CO 0.85 -0.44 0.08 1.49 -1.16 0.00 0.00 179.01 179.83 1i57 h GLU 76 N -0.94 0.19 0.00 2.33 4.81 -1.97 -2.04 114.58 116.97 1i57 h GLU 76 Ca -0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1i57 h GLU 76 Cb 0.65 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1i57 h GLU 76 CO 0.13 0.12 0.00 0.00 -0.73 0.00 0.00 179.01 178.53 1i57 h ALA 77 N 1.12 1.00 -5.77 2.92 0.00 -1.91 -3.47 119.26 113.15 1i57 h ALA 77 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.63 1i57 h ALA 77 Cb 0.04 0.00 0.14 0.00 0.00 0.00 0.00 17.79 17.97 1i57 h ALA 77 CO -0.08 0.00 -0.75 1.04 0.00 0.00 0.00 179.25 179.46 1i57 n GLN 78 N -2.40 -6.78 -4.26 0.00 6.02 -0.25 -4.94 117.38 104.76 1i57 n GLN 78 Ca 0.03 0.81 -0.17 0.00 -0.01 0.00 0.00 57.00 57.66 1i57 n GLN 78 Cb 0.32 -5.79 -0.14 0.00 1.02 0.00 0.00 30.24 25.64 1i57 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1i57 s ARG 79 N -5.72 0.58 0.04 -1.09 6.06 -0.93 -4.94 118.95 112.95 1i57 s ARG 79 Ca 0.18 -0.27 0.09 0.00 -2.50 0.00 0.00 55.73 53.23 1i57 s ARG 79 Cb -0.08 -0.55 -0.03 0.00 0.06 0.00 0.00 34.95 34.35 1i57 s ARG 79 CO 0.74 0.15 -0.26 -1.12 -2.50 0.00 0.00 175.30 172.32 1i57 s SER 80 N -0.20 3.07 0.02 -2.12 0.01 -1.26 -0.56 113.70 112.66 1i57 s SER 80 Ca 0.02 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 1i57 s SER 80 Cb -0.03 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1i57 s SER 80 CO -0.00 0.25 0.01 -0.31 0.41 0.00 0.00 173.24 173.59 1i57 s TYR 81 N -0.80 0.22 -0.21 2.43 1.51 0.15 -4.07 117.35 116.58 1i57 s TYR 81 Ca 0.11 -0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 55.65 1i57 s TYR 81 Cb -0.10 -0.16 -0.03 0.00 -0.11 0.00 0.00 41.96 41.56 1i57 s TYR 81 CO 0.02 -0.21 0.04 0.42 -1.11 0.00 0.00 175.55 174.71 1i57 s ILE 82 N -1.49 4.28 -0.19 2.71 1.01 0.28 0.13 121.20 127.93 1i57 s ILE 82 Ca -0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1i57 s ILE 82 Cb -0.09 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1i57 s ILE 82 CO -0.01 0.40 0.01 -0.76 0.00 0.00 0.00 174.94 174.58 1i57 s LEU 83 N 1.08 3.37 0.17 2.97 2.01 -0.30 -0.45 118.68 127.53 1i57 s LEU 83 Ca 0.03 -0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.04 1i57 s LEU 83 Cb -0.14 -1.85 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 1i57 s LEU 83 CO 0.03 0.10 0.06 0.28 1.01 0.00 0.00 176.35 177.82 1i57 s THR 84 N 0.78 0.30 0.66 5.49 -1.32 -0.75 -0.46 115.64 120.35 1i57 s THR 84 Ca 0.01 -1.95 -0.09 0.00 -1.21 0.00 0.00 61.69 58.44 1i57 s THR 84 Cb -0.14 -2.20 0.01 0.00 -1.51 0.00 0.00 72.50 68.67 1i57 s THR 84 CO 0.02 -0.35 1.02 0.00 -2.21 0.00 0.00 174.62 173.10 1i57 s GLN 85 N -4.02 2.86 0.22 7.08 -2.07 -1.11 -0.72 119.66 121.90 1i57 s GLN 85 Ca 0.28 0.27 -0.32 0.00 -1.82 0.00 0.00 55.36 53.77 1i57 s GLN 85 Cb 0.07 -2.12 -0.13 0.00 -1.09 0.00 0.00 33.01 29.75 1i57 s GLN 85 CO 0.05 -0.92 1.59 0.41 -1.32 0.00 0.00 175.29 175.11 1i57 n GLY 86 N -2.85 1.22 3.57 2.60 0.00 -0.75 -4.30 105.19 104.68 1i57 n GLY 86 Ca 0.06 0.57 -0.39 0.00 0.00 0.00 0.00 46.02 46.26 1i57 n GLY 86 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1i57 n PRO 87 N 3.02 0.87 -3.75 1.61 -0.02 -1.26 -4.82 135.00 130.65 1i57 n PRO 87 Ca 0.14 0.33 -0.21 0.00 -2.02 0.00 0.00 63.50 61.74 1i57 n PRO 87 Cb 0.33 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1i57 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i57 s LEU 88 N -0.80 3.72 0.36 2.45 1.43 -1.26 -1.55 118.68 123.03 1i57 s LEU 88 Ca 0.71 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.47 1i57 s LEU 88 Cb -0.46 -2.37 0.73 0.00 0.03 0.00 0.00 46.19 44.12 1i57 s LEU 88 CO 0.51 -0.35 1.95 -0.65 0.23 0.00 0.00 176.35 178.05 1i57 h PRO 89 N 1.17 0.75 -0.01 1.29 0.11 -1.96 -1.30 132.00 132.05 1i57 h PRO 89 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1i57 h PRO 89 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1i57 h PRO 89 CO 0.57 0.49 -0.17 0.27 -0.21 0.00 0.00 178.00 178.96 1i57 n ASN 90 N -4.48 0.96 -0.46 -2.05 6.94 -1.26 -4.14 115.26 110.77 1i57 n ASN 90 Ca 0.11 -0.93 0.04 0.00 -0.02 0.00 0.00 54.58 53.79 1i57 n ASN 90 Cb 0.23 0.06 0.10 0.00 -2.36 0.00 0.00 39.78 37.82 1i57 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1i57 n THR 91 N -0.58 0.89 -0.09 5.53 -2.24 -0.50 -4.69 114.28 112.59 1i57 n THR 91 Ca 0.14 -0.94 -0.04 0.00 -2.27 0.00 0.00 64.05 60.94 1i57 n THR 91 Cb 0.33 0.58 0.17 0.00 -2.10 0.00 0.00 70.33 69.31 1i57 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i57 h GLY 93 N 0.96 0.78 0.97 0.00 0.00 -1.89 -2.18 103.07 101.71 1i57 h GLY 93 Ca 0.14 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 1i57 h GLY 93 CO 0.02 0.60 0.09 0.45 0.00 0.00 0.00 176.54 177.70 1i57 h HIS 94 N 0.63 0.84 -0.26 5.60 -0.00 -1.75 0.80 115.15 120.99 1i57 h HIS 94 Ca 0.09 -0.11 0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1i57 h HIS 94 Cb 0.72 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 1i57 h HIS 94 CO 0.03 0.77 0.12 0.35 -0.00 0.00 0.00 177.93 179.20 1i57 h PHE 95 N 0.66 0.21 -0.03 2.45 3.57 -0.69 0.20 116.94 123.32 1i57 h PHE 95 Ca 0.15 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.50 1i57 h PHE 95 Cb 0.37 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1i57 h PHE 95 CO 0.03 0.11 -0.69 -1.49 -2.23 0.00 0.00 178.31 174.04 1i57 h TRP 96 N 0.25 0.19 -0.88 0.41 4.06 -1.31 -0.72 115.95 117.95 1i57 h TRP 96 Ca 0.11 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1i57 h TRP 96 Cb 0.05 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 1i57 h TRP 96 CO -0.11 0.78 0.47 1.49 -3.56 0.00 0.00 178.44 177.52 1i57 h GLU 97 N 0.10 1.23 -0.23 0.49 4.81 -0.14 0.10 114.58 120.94 1i57 h GLU 97 Ca -0.01 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 1i57 h GLU 97 Cb 1.23 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1i57 h GLU 97 CO 0.10 0.91 0.02 1.98 -0.73 0.00 0.00 179.01 181.29 1i57 h MET 98 N 1.23 0.39 -0.73 1.92 4.05 -0.15 0.32 114.93 121.96 1i57 h MET 98 Ca 0.31 -0.12 0.11 0.00 -0.28 0.00 0.00 59.70 59.72 1i57 h MET 98 Cb 0.05 -0.04 -0.08 0.00 -0.80 0.00 0.00 31.60 30.72 1i57 h MET 98 CO -0.05 0.56 0.33 0.28 0.23 0.00 0.00 176.91 178.26 1i57 h VAL 99 N 0.18 0.77 0.47 -5.77 2.07 -0.56 0.67 116.25 114.07 1i57 h VAL 99 Ca 0.07 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1i57 h VAL 99 Cb 0.37 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1i57 h VAL 99 CO 0.01 0.10 -0.23 -0.25 0.02 0.00 0.00 177.57 177.22 1i57 h TRP 100 N 0.54 -0.59 -0.60 1.57 2.91 -0.49 -2.21 115.95 117.09 1i57 h TRP 100 Ca 0.38 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.36 1i57 h TRP 100 Cb 0.48 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.30 1i57 h TRP 100 CO -0.13 -0.28 0.28 0.93 -1.03 0.00 0.00 178.44 178.21 1i57 h GLU 101 N -0.84 0.84 -0.08 2.65 5.08 -0.61 -2.10 114.58 119.52 1i57 h GLU 101 Ca -0.06 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1i57 h GLU 101 Cb 0.57 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1i57 h GLU 101 CO 0.11 0.66 0.00 1.04 -1.00 0.00 0.00 179.01 179.82 1i57 n GLN 102 N -4.35 1.44 -3.07 2.33 1.13 0.20 -4.91 117.38 110.15 1i57 n GLN 102 Ca 0.05 -0.66 -0.21 0.00 -1.94 0.00 0.00 57.00 54.24 1i57 n GLN 102 Cb 0.14 -1.39 0.01 0.00 0.11 0.00 0.00 30.24 29.10 1i57 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1i57 n LYS 103 N -0.14 -3.49 -1.92 -1.09 5.02 -0.79 -3.72 118.16 112.03 1i57 n LYS 103 Ca 0.17 0.62 -0.37 0.00 -2.02 0.00 0.00 58.31 56.71 1i57 n LYS 103 Cb 0.24 -5.34 0.04 0.00 -0.02 0.00 0.00 35.03 29.94 1i57 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1i57 s SER 104 N -2.56 5.11 -0.08 4.39 0.01 -0.86 -0.66 113.70 119.05 1i57 s SER 104 Ca 0.28 2.51 0.12 0.00 1.31 0.00 0.00 55.95 60.18 1i57 s SER 104 Cb -0.14 -2.61 -0.18 0.00 0.21 0.00 0.00 66.02 63.30 1i57 s SER 104 CO 0.35 -1.66 0.15 -1.14 0.41 0.00 0.00 173.24 171.35 1i57 n ARG 105 N -1.50 1.33 -4.16 12.44 3.00 -1.26 -4.82 116.66 121.68 1i57 n ARG 105 Ca 0.13 -0.05 -0.17 0.00 -0.00 0.00 0.00 57.85 57.76 1i57 n ARG 105 Cb 0.48 -1.32 -0.12 0.00 0.00 0.00 0.00 32.46 31.50 1i57 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1i57 s GLY 106 N -4.14 0.71 -0.13 5.14 0.00 -1.26 -1.07 107.32 106.58 1i57 s GLY 106 Ca -0.06 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.83 1i57 s GLY 106 CO 0.53 -0.89 -0.22 0.14 0.00 0.00 0.00 173.10 172.65 1i57 s VAL 107 N -1.20 2.05 -0.15 1.40 1.01 0.14 -1.62 120.40 122.02 1i57 s VAL 107 Ca -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 1i57 s VAL 107 Cb -0.09 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1i57 s VAL 107 CO 0.01 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 1i57 s VAL 108 N 0.67 3.47 -0.06 2.92 1.01 0.89 -0.35 120.40 128.96 1i57 s VAL 108 Ca -0.11 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1i57 s VAL 108 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1i57 s VAL 108 CO 0.01 0.50 -0.17 -0.32 0.00 0.00 0.00 175.10 175.13 1i57 s MET 109 N 0.45 1.92 -0.07 2.72 0.00 0.82 -2.71 119.30 122.43 1i57 s MET 109 Ca -0.06 -0.60 0.10 0.00 0.00 0.00 0.00 55.69 55.13 1i57 s MET 109 Cb -0.15 -1.61 0.15 0.00 0.00 0.00 0.00 34.83 33.22 1i57 s MET 109 CO 0.04 0.19 1.07 1.28 0.00 0.00 0.00 175.02 177.60 1i57 n LEU 110 N 3.35 2.16 -4.37 4.11 4.77 -1.26 -0.59 117.00 125.16 1i57 n LEU 110 Ca -0.19 -2.55 -0.18 0.00 -0.03 0.00 0.00 56.01 53.06 1i57 n LEU 110 Cb 0.53 -0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 1i57 n LEU 110 CO 0.25 0.60 -0.28 0.54 -1.33 0.00 0.00 177.39 177.18 1i57 s ASN 111 N -1.97 1.79 0.09 -1.43 4.22 -1.25 -4.68 114.94 111.71 1i57 s ASN 111 Ca 0.17 -1.33 0.02 0.00 -2.14 0.00 0.00 52.86 49.57 1i57 s ASN 111 Cb 0.14 0.03 -0.04 0.00 1.28 0.00 0.00 41.25 42.67 1i57 s ASN 111 CO 0.02 -0.63 0.17 -0.13 -2.04 0.00 0.00 177.10 174.49 1i57 s ARG 112 N -3.94 3.20 0.47 3.55 0.52 -1.26 -4.83 118.95 116.67 1i57 s ARG 112 Ca 0.35 -0.58 0.14 0.00 -0.52 0.00 0.00 55.73 55.12 1i57 s ARG 112 Cb 0.08 -2.89 1.11 0.00 0.52 0.00 0.00 34.95 33.77 1i57 s ARG 112 CO 0.13 0.57 2.06 0.28 0.02 0.00 0.00 175.30 178.36 1i57 h VAL 113 N 2.18 0.97 -3.29 3.52 2.07 -1.94 -3.38 116.25 116.38 1i57 h VAL 113 Ca -0.46 -0.09 -0.55 0.00 0.82 0.00 0.00 66.70 66.42 1i57 h VAL 113 Cb 1.17 0.69 -0.37 0.00 -1.52 0.00 0.00 31.29 31.26 1i57 h VAL 113 CO 0.70 0.05 -0.80 -0.32 0.02 0.00 0.00 177.57 177.22 1i57 s MET 114 N -5.26 1.53 -0.12 1.57 -2.45 -1.26 -0.12 119.30 113.19 1i57 s MET 114 Ca -0.07 -0.47 0.03 0.00 -1.25 0.00 0.00 55.69 53.93 1i57 s MET 114 Cb 0.18 -1.93 0.01 0.00 1.25 0.00 0.00 34.83 34.33 1i57 s MET 114 CO 0.71 -0.38 -0.23 -1.21 1.05 0.00 0.00 175.02 174.97 1i57 s GLU 115 N 1.63 2.98 -1.53 4.11 2.02 -0.22 -4.71 118.70 122.98 1i57 s GLU 115 Ca 0.02 -0.85 -0.07 0.00 0.02 0.00 0.00 54.97 54.09 1i57 s GLU 115 Cb -0.15 -2.33 0.06 0.00 0.10 0.00 0.00 34.13 31.81 1i57 s GLU 115 CO -0.08 0.08 0.49 1.63 0.02 0.00 0.00 175.26 177.40 1i57 n LYS 116 N 3.80 -2.89 -0.89 1.61 4.76 -1.26 0.26 118.16 123.55 1i57 n LYS 116 Ca -0.20 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1i57 n LYS 116 Cb 0.52 -4.60 0.00 0.00 -1.84 0.00 0.00 35.03 29.12 1i57 n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i57 n GLY 117 N -1.86 0.50 3.61 0.72 0.00 -1.26 -5.00 105.19 101.90 1i57 n GLY 117 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1i57 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i57 s SER 118 N -2.37 4.81 -0.25 1.61 0.01 0.14 -5.08 113.70 112.57 1i57 s SER 118 Ca 0.00 0.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.99 1i57 s SER 118 Cb 0.00 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.97 1i57 s SER 118 CO 0.00 0.36 1.14 -0.76 0.41 0.00 0.00 173.24 174.39 1i57 s LEU 119 N -0.79 4.03 0.16 2.44 1.43 -1.26 -1.05 118.68 123.64 1i57 s LEU 119 Ca 0.12 1.32 0.17 0.00 -1.03 0.00 0.00 54.13 54.72 1i57 s LEU 119 Cb -0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1i57 s LEU 119 CO 0.02 -0.81 1.07 0.11 0.23 0.00 0.00 176.35 176.96 1i57 h LYS 120 N 8.08 0.00 -1.57 1.70 1.79 -0.75 -3.44 116.57 122.38 1i57 h LYS 120 Ca -0.22 0.00 0.25 0.00 -2.18 0.00 0.00 60.65 58.50 1i57 h LYS 120 Cb 1.07 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.56 1i57 h LYS 120 CO 1.00 0.29 0.78 0.00 -1.08 0.00 0.00 179.45 180.44 1i57 s ALA 122 N -2.51 1.92 -1.12 0.00 0.00 -0.59 -4.83 121.76 114.62 1i57 s ALA 122 Ca 0.10 0.59 -0.21 0.00 0.00 0.00 0.00 51.96 52.44 1i57 s ALA 122 Cb 0.00 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.78 1i57 s ALA 122 CO -0.05 -2.16 1.55 -1.14 0.00 0.00 0.00 175.76 173.96 1i57 s GLN 123 N -4.47 3.74 0.00 0.00 2.00 -1.26 -4.80 119.66 114.88 1i57 s GLN 123 Ca 0.67 -1.47 0.28 0.00 -2.00 0.00 0.00 55.36 52.84 1i57 s GLN 123 Cb -0.23 -5.42 1.07 0.00 0.80 0.00 0.00 33.01 29.23 1i57 s GLN 123 CO 0.53 -2.22 1.77 2.48 -0.50 0.00 0.00 175.29 177.35 1i57 n TYR 124 N 8.64 0.00 -4.26 1.67 0.18 -1.26 -4.86 117.16 117.27 1i57 n TYR 124 Ca 0.39 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.96 1i57 n TYR 124 Cb 0.49 -0.23 -0.12 0.00 -0.38 0.00 0.00 39.34 39.10 1i57 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1i57 s TRP 125 N -2.63 1.56 0.16 -3.48 -2.14 -1.26 -5.05 118.94 106.10 1i57 s TRP 125 Ca 0.24 -0.48 -0.30 0.00 2.66 0.00 0.00 56.10 58.21 1i57 s TRP 125 Cb 0.19 -0.83 -0.08 0.00 -3.10 0.00 0.00 33.47 29.66 1i57 s TRP 125 CO 0.52 0.19 1.24 -1.25 -2.66 0.00 0.00 176.95 174.98 1i57 s PRO 126 N -2.33 4.45 0.09 3.25 0.04 -1.26 -4.91 135.00 134.33 1i57 s PRO 126 Ca 0.08 1.91 0.25 0.00 0.04 0.00 0.00 61.00 63.28 1i57 s PRO 126 Cb -0.07 -3.25 0.42 0.00 0.04 0.00 0.00 34.50 31.64 1i57 s PRO 126 CO 0.04 -0.18 1.37 1.04 0.04 0.00 0.00 177.00 179.31 1i57 n GLN 127 N 2.86 0.22 -4.90 4.56 6.02 -1.26 -4.56 117.38 120.32 1i57 n GLN 127 Ca 0.06 0.07 -0.32 0.00 -0.01 0.00 0.00 57.00 56.80 1i57 n GLN 127 Cb 0.44 -1.64 -0.17 0.00 1.02 0.00 0.00 30.24 29.89 1i57 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1i57 s LYS 128 N -3.12 2.95 0.25 -1.09 1.02 -1.26 -5.01 119.74 113.47 1i57 s LYS 128 Ca 0.08 -0.84 -0.04 0.00 0.02 0.00 0.00 55.97 55.19 1i57 s LYS 128 Cb 0.14 -2.31 0.51 0.00 -0.52 0.00 0.00 37.83 35.66 1i57 s LYS 128 CO 0.71 0.07 1.67 0.93 -0.92 0.00 0.00 175.35 177.80 1i57 h GLU 129 N 7.05 0.22 0.00 1.68 3.07 -1.87 -0.13 114.58 124.59 1i57 h GLU 129 Ca -0.26 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1i57 h GLU 129 Cb 1.21 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1i57 h GLU 129 CO 0.51 0.14 0.00 -0.85 -1.40 0.00 0.00 179.01 177.42 1i57 n GLU 130 N -5.21 0.12 -3.60 2.33 0.00 -1.26 -4.29 120.64 108.74 1i57 n GLU 130 Ca 0.16 0.18 -0.38 0.00 0.00 0.00 0.00 57.16 57.12 1i57 n GLU 130 Cb 0.51 -1.66 -0.06 0.00 0.00 0.00 0.00 31.44 30.23 1i57 n GLU 130 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1i57 s LYS 131 N -3.09 3.27 0.56 3.44 -0.14 -0.06 -5.07 119.74 118.65 1i57 s LYS 131 Ca 0.10 -3.08 -0.14 0.00 -1.36 0.00 0.00 55.97 51.49 1i57 s LYS 131 Cb 0.14 -4.01 -0.06 0.00 -1.68 0.00 0.00 37.83 32.22 1i57 s LYS 131 CO 0.48 -1.25 1.01 -1.83 -0.76 0.00 0.00 175.35 173.01 1i57 s GLU 132 N -0.99 3.73 -0.12 1.68 1.03 -1.26 -4.55 118.70 118.22 1i57 s GLU 132 Ca 0.25 0.92 -0.05 0.00 0.03 0.00 0.00 54.97 56.12 1i57 s GLU 132 Cb -0.10 -2.10 -0.04 0.00 -0.80 0.00 0.00 34.13 31.09 1i57 s GLU 132 CO -0.10 -0.46 0.06 -1.64 -1.33 0.00 0.00 175.26 171.80 1i57 s MET 133 N -4.46 3.39 -0.15 -4.83 -1.94 -0.02 -4.95 119.30 106.34 1i57 s MET 133 Ca 0.58 -0.29 0.02 0.00 -1.71 0.00 0.00 55.69 54.29 1i57 s MET 133 Cb -0.11 -3.04 0.01 0.00 2.01 0.00 0.00 34.83 33.70 1i57 s MET 133 CO 0.40 0.62 -0.20 0.42 -0.01 0.00 0.00 175.02 176.25 1i57 s ILE 134 N -0.62 2.19 -0.49 2.53 1.01 -1.26 -0.90 121.20 123.65 1i57 s ILE 134 Ca 0.11 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 1i57 s ILE 134 Cb -0.12 -1.89 0.11 0.00 0.01 0.00 0.00 42.46 40.57 1i57 s ILE 134 CO 0.02 0.54 0.42 -0.36 0.00 0.00 0.00 174.94 175.56 1i57 s PHE 135 N 0.87 3.29 0.18 3.97 0.40 -0.04 -4.94 117.98 121.71 1i57 s PHE 135 Ca -0.05 -1.30 0.18 0.00 -0.60 0.00 0.00 56.93 55.15 1i57 s PHE 135 Cb -0.15 -3.47 0.65 0.00 0.51 0.00 0.00 43.02 40.56 1i57 s PHE 135 CO -0.03 -0.93 1.72 0.93 0.70 0.00 0.00 175.22 177.62 1i57 h GLU 136 N 8.72 0.00 -0.31 0.44 5.08 -1.96 0.89 114.58 127.44 1i57 h GLU 136 Ca -0.27 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 1i57 h GLU 136 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1i57 h GLU 136 CO 0.93 0.39 -0.31 0.38 -1.00 0.00 0.00 179.01 179.40 1i57 h ASP 137 N 0.00 0.68 -0.28 1.42 2.03 -1.96 -3.16 116.42 115.15 1i57 h ASP 137 Ca -0.00 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 1i57 h ASP 137 Cb 0.91 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 1i57 h ASP 137 CO 0.05 0.95 0.00 0.35 -1.03 0.00 0.00 179.24 179.56 1i57 n THR 138 N -4.07 0.58 -3.75 1.15 -2.24 -1.15 -5.00 114.28 99.80 1i57 n THR 138 Ca -0.01 -0.79 -0.26 0.00 -2.27 0.00 0.00 64.05 60.72 1i57 n THR 138 Cb 0.47 0.84 0.02 0.00 -2.10 0.00 0.00 70.33 69.56 1i57 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i57 n ASN 139 N 0.86 -2.50 -4.16 3.42 5.15 0.26 -4.92 115.26 113.37 1i57 n ASN 139 Ca 0.13 -0.94 -0.18 0.00 -0.60 0.00 0.00 54.58 52.99 1i57 n ASN 139 Cb 0.44 -3.58 -0.12 0.00 -0.53 0.00 0.00 39.78 35.99 1i57 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1i57 s LEU 140 N -6.64 2.27 0.02 1.20 1.43 -0.88 -1.77 118.68 114.31 1i57 s LEU 140 Ca 0.18 -0.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1i57 s LEU 140 Cb -0.06 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 1i57 s LEU 140 CO 0.85 -0.09 -0.22 -0.75 0.23 0.00 0.00 176.35 176.37 1i57 s LYS 141 N -1.71 1.60 -0.06 1.70 2.20 0.19 -0.86 119.74 122.80 1i57 s LYS 141 Ca -0.03 -0.91 0.01 0.00 -0.36 0.00 0.00 55.97 54.69 1i57 s LYS 141 Cb -0.10 -1.66 0.02 0.00 -1.51 0.00 0.00 37.83 34.58 1i57 s LYS 141 CO 0.02 0.44 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.19 1i57 s LEU 142 N -0.94 1.46 -0.05 5.43 2.96 -0.08 0.08 118.68 127.54 1i57 s LEU 142 Ca 0.09 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 1i57 s LEU 142 Cb -0.09 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.95 1i57 s LEU 142 CO 0.01 -0.02 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.98 1i57 s THR 143 N 0.86 1.24 -0.01 3.68 2.01 -0.25 -0.84 115.64 122.33 1i57 s THR 143 Ca -0.12 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 1i57 s THR 143 Cb -0.15 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1i57 s THR 143 CO 0.01 0.37 1.21 -0.22 -0.69 0.00 0.00 174.62 175.30 1i57 s LEU 144 N 0.21 4.32 -0.23 4.42 2.96 -1.26 -0.94 118.68 128.16 1i57 s LEU 144 Ca -0.06 1.90 -0.11 0.00 -0.22 0.00 0.00 54.13 55.64 1i57 s LEU 144 Cb -0.12 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.90 1i57 s LEU 144 CO 0.02 -0.54 -0.30 -0.38 -1.32 0.00 0.00 176.35 173.84 1i57 n ILE 145 N 4.34 1.26 -4.17 6.68 2.08 -0.22 -4.38 119.36 124.96 1i57 n ILE 145 Ca 0.10 -0.33 -0.13 0.00 0.56 0.00 0.00 62.75 62.95 1i57 n ILE 145 Cb 0.46 -1.80 -0.08 0.00 -0.75 0.00 0.00 39.64 37.47 1i57 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1i57 s SER 146 N -7.05 0.54 -0.30 4.38 1.04 -1.02 -4.99 113.70 106.30 1i57 s SER 146 Ca -0.32 -1.41 -0.06 0.00 0.48 0.00 0.00 55.95 54.64 1i57 s SER 146 Cb 0.12 0.48 0.17 0.00 0.10 0.00 0.00 66.02 66.89 1i57 s SER 146 CO 0.41 -0.99 0.69 -0.70 0.98 0.00 0.00 173.24 173.62 1i57 s GLU 147 N -3.85 0.52 -0.44 4.02 2.12 -1.26 -2.65 118.70 117.15 1i57 s GLU 147 Ca 0.36 1.07 -0.09 0.00 0.36 0.00 0.00 54.97 56.67 1i57 s GLU 147 Cb 0.04 0.62 0.10 0.00 0.26 0.00 0.00 34.13 35.15 1i57 s GLU 147 CO 0.16 -0.41 0.30 0.34 -0.54 0.00 0.00 175.26 175.11 1i57 s ASP 148 N 2.85 5.65 -0.37 -1.70 -1.08 -0.17 -5.01 116.67 116.84 1i57 s ASP 148 Ca 0.09 -1.72 -0.19 0.00 -0.52 0.00 0.00 52.55 50.20 1i57 s ASP 148 Cb -0.13 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 1i57 s ASP 148 CO -0.19 -0.61 0.56 -0.63 0.52 0.00 0.00 175.17 174.82 1i57 s ILE 149 N 1.38 4.96 0.33 4.11 1.01 -1.26 -1.87 121.20 129.86 1i57 s ILE 149 Ca 0.04 0.32 0.04 0.00 0.00 0.00 0.00 60.65 61.05 1i57 s ILE 149 Cb -0.25 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.23 1i57 s ILE 149 CO 0.00 -0.32 0.35 0.29 0.00 0.00 0.00 174.94 175.27 1i57 n LYS 150 N 5.90 0.90 0.23 2.79 5.02 0.75 -4.99 118.16 128.76 1i57 n LYS 150 Ca -0.03 -1.92 -0.11 0.00 -2.02 0.00 0.00 58.31 54.22 1i57 n LYS 150 Cb 0.49 0.04 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 1i57 n LYS 150 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1i57 h SER 151 N 0.22 -0.74 0.92 4.39 0.02 -2.02 -3.33 113.55 113.01 1i57 h SER 151 Ca -0.18 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1i57 h SER 151 Cb 0.74 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1i57 h SER 151 CO 0.27 -0.42 -1.06 0.00 -1.14 0.00 0.00 176.83 174.48 1i57 n TYR 152 N -4.12 0.90 -4.02 3.45 0.18 -1.26 -4.81 117.16 107.47 1i57 n TYR 152 Ca -0.08 0.26 -0.10 0.00 1.88 0.00 0.00 57.90 59.86 1i57 n TYR 152 Cb 0.28 -0.92 -0.06 0.00 -0.38 0.00 0.00 39.34 38.26 1i57 n TYR 152 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 1i57 s TYR 153 N -3.37 0.51 -0.07 -3.48 -0.85 -1.25 -1.54 117.35 107.29 1i57 s TYR 153 Ca -0.01 -0.84 0.00 0.00 -0.52 0.00 0.00 57.07 55.70 1i57 s TYR 153 Cb 0.10 0.00 0.02 0.00 0.38 0.00 0.00 41.96 42.47 1i57 s TYR 153 CO 0.80 -0.87 -0.05 0.99 -1.52 0.00 0.00 175.55 174.89 1i57 s THR 154 N -4.03 0.70 -0.14 -3.49 2.01 0.25 -0.17 115.64 110.76 1i57 s THR 154 Ca 0.24 -0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1i57 s THR 154 Cb 0.02 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1i57 s THR 154 CO 0.08 0.29 0.02 -0.69 -0.69 0.00 0.00 174.62 173.62 1i57 s VAL 155 N 1.37 4.41 0.09 3.82 1.01 -0.78 -1.28 120.40 129.04 1i57 s VAL 155 Ca -0.03 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1i57 s VAL 155 Cb -0.14 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1i57 s VAL 155 CO -0.03 0.52 -0.20 -0.13 0.00 0.00 0.00 175.10 175.26 1i57 s ARG 156 N -0.08 1.15 -0.20 2.72 0.52 0.42 -1.00 118.95 122.49 1i57 s ARG 156 Ca 0.04 -1.09 -0.06 0.00 -0.52 0.00 0.00 55.73 54.10 1i57 s ARG 156 Cb -0.13 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 33.95 1i57 s ARG 156 CO 0.02 0.32 0.04 -0.65 0.02 0.00 0.00 175.30 175.05 1i57 s GLN 157 N -1.72 3.78 0.22 3.54 -0.21 -1.08 -0.33 119.66 123.85 1i57 s GLN 157 Ca 0.06 -0.44 0.10 0.00 0.02 0.00 0.00 55.36 55.10 1i57 s GLN 157 Cb -0.10 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.69 1i57 s GLN 157 CO 0.03 0.09 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.59 1i57 s LEU 158 N 0.84 2.51 -0.17 2.90 1.43 -0.12 -1.05 118.68 125.01 1i57 s LEU 158 Ca 0.02 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1i57 s LEU 158 Cb -0.14 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.10 1i57 s LEU 158 CO 0.02 0.02 -0.18 -0.70 0.23 0.00 0.00 176.35 175.74 1i57 s GLU 159 N -3.13 2.78 -0.21 1.70 2.12 -0.11 -1.00 118.70 120.85 1i57 s GLU 159 Ca 0.23 -0.75 -0.08 0.00 0.36 0.00 0.00 54.97 54.73 1i57 s GLU 159 Cb -0.05 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 1i57 s GLU 159 CO 0.11 -0.20 0.10 -1.17 -0.54 0.00 0.00 175.26 173.56 1i57 s LEU 160 N 1.29 3.87 -0.10 2.70 2.96 0.57 -1.09 118.68 128.89 1i57 s LEU 160 Ca 0.04 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1i57 s LEU 160 Cb -0.13 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1i57 s LEU 160 CO -0.11 0.11 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.15 1i57 s GLU 161 N 0.76 2.41 -0.86 1.98 2.12 0.11 -0.26 118.70 124.96 1i57 s GLU 161 Ca 0.05 -0.64 -0.22 0.00 0.36 0.00 0.00 54.97 54.52 1i57 s GLU 161 Cb -0.13 -1.95 0.08 0.00 0.26 0.00 0.00 34.13 32.39 1i57 s GLU 161 CO 0.02 0.02 1.20 1.21 -0.54 0.00 0.00 175.26 177.18 1i57 s ASN 162 N 0.73 6.40 0.63 -1.70 3.84 -0.17 -0.64 114.94 124.03 1i57 s ASN 162 Ca -0.12 -1.36 0.28 0.00 0.21 0.00 0.00 52.86 51.88 1i57 s ASN 162 Cb -0.16 -2.48 1.49 0.00 -0.55 0.00 0.00 41.25 39.56 1i57 s ASN 162 CO 0.02 -1.41 1.87 -0.07 -2.79 0.00 0.00 177.10 174.72 1i57 h LEU 163 N 11.74 0.00 -0.45 3.21 3.38 -1.64 0.99 115.31 132.53 1i57 h LEU 163 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1i57 h LEU 163 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1i57 h LEU 163 CO 1.24 0.00 0.01 0.74 0.09 0.00 0.00 178.44 180.52 1i57 h THR 164 N 0.00 1.26 0.00 0.22 2.02 -1.90 -3.33 112.91 111.17 1i57 h THR 164 Ca 0.10 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.25 1i57 h THR 164 Cb 0.95 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1i57 h THR 164 CO -0.00 0.35 -0.69 0.35 0.37 0.00 0.00 175.52 175.90 1i57 n THR 165 N -4.40 0.00 -1.02 3.16 -2.24 -0.32 -4.98 114.28 104.48 1i57 n THR 165 Ca 0.00 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.50 1i57 n THR 165 Cb 0.29 0.78 -0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1i57 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i57 n GLN 166 N -1.37 -0.83 -2.38 -0.78 6.02 0.33 -4.98 117.38 113.39 1i57 n GLN 166 Ca 0.01 0.26 -0.39 0.00 -0.01 0.00 0.00 57.00 56.87 1i57 n GLN 166 Cb 0.15 -3.92 -0.03 0.00 1.02 0.00 0.00 30.24 27.46 1i57 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1i57 s GLU 167 N -1.00 4.33 0.21 -1.09 2.12 -1.23 -4.80 118.70 117.24 1i57 s GLU 167 Ca 0.00 1.82 0.09 0.00 0.36 0.00 0.00 54.97 57.24 1i57 s GLU 167 Cb 0.00 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 1i57 s GLU 167 CO 0.00 -0.08 -0.17 0.95 -0.54 0.00 0.00 175.26 175.42 1i57 s THR 168 N -1.32 1.95 -0.01 -1.70 -4.23 -1.26 -1.00 115.64 108.06 1i57 s THR 168 Ca 0.51 -2.18 -0.12 0.00 -1.18 0.00 0.00 61.69 58.72 1i57 s THR 168 Cb -0.31 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.49 1i57 s THR 168 CO 0.40 -0.47 0.24 -0.60 -0.54 0.00 0.00 174.62 173.65 1i57 s ARG 169 N -3.39 0.58 -0.25 3.99 3.52 0.64 -4.98 118.95 119.07 1i57 s ARG 169 Ca 0.23 -0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.48 1i57 s ARG 169 Cb -0.03 0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1i57 s ARG 169 CO 0.09 -0.15 0.14 -2.00 -0.81 0.00 0.00 175.30 172.56 1i57 s GLU 170 N -1.29 3.90 -0.14 5.12 2.12 -1.26 -0.31 118.70 126.85 1i57 s GLU 170 Ca -0.13 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 54.80 1i57 s GLU 170 Cb -0.06 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 1i57 s GLU 170 CO 0.03 -0.08 0.00 0.42 -0.54 0.00 0.00 175.26 175.09 1i57 s ILE 171 N 1.42 4.28 -0.13 -3.70 -1.09 -0.17 -4.92 121.20 116.89 1i57 s ILE 171 Ca 0.06 -0.23 -0.18 0.00 -2.23 0.00 0.00 60.65 58.07 1i57 s ILE 171 Cb -0.15 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1i57 s ILE 171 CO 0.07 0.53 0.49 -0.76 -1.23 0.00 0.00 174.94 174.03 1i57 s LEU 172 N -0.10 4.25 -0.34 2.97 1.43 -0.23 -0.95 118.68 125.71 1i57 s LEU 172 Ca 0.04 0.79 -0.09 0.00 -1.03 0.00 0.00 54.13 53.85 1i57 s LEU 172 Cb -0.13 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.41 1i57 s LEU 172 CO 0.02 -0.04 0.14 -2.28 0.23 0.00 0.00 176.35 174.42 1i57 s HIS 173 N 0.83 3.22 -0.42 0.29 5.65 0.55 -0.69 115.29 124.73 1i57 s HIS 173 Ca 0.26 -1.06 -0.13 0.00 0.25 0.00 0.00 55.06 54.37 1i57 s HIS 173 Cb -0.15 -2.34 0.04 0.00 -1.18 0.00 0.00 32.58 28.95 1i57 s HIS 173 CO 0.10 -0.64 0.29 -0.06 -0.65 0.00 0.00 174.74 173.79 1i57 s PHE 174 N 1.50 3.25 -0.38 3.88 0.40 0.53 -0.43 117.98 126.74 1i57 s PHE 174 Ca 0.01 -0.89 -0.02 0.00 -0.60 0.00 0.00 56.93 55.43 1i57 s PHE 174 Cb -0.19 -2.74 0.10 0.00 0.51 0.00 0.00 43.02 40.70 1i57 s PHE 174 CO 0.05 -0.69 0.15 -1.58 0.70 0.00 0.00 175.22 173.84 1i57 s HIS 175 N 1.60 3.54 -0.29 0.36 2.46 -0.40 -0.12 115.29 122.44 1i57 s HIS 175 Ca 0.04 -2.36 -0.27 0.00 0.47 0.00 0.00 55.06 52.93 1i57 s HIS 175 Cb -0.21 -2.96 0.01 0.00 -0.13 0.00 0.00 32.58 29.29 1i57 s HIS 175 CO 0.07 -0.93 0.99 -0.47 -2.47 0.00 0.00 174.74 171.93 1i57 s TYR 176 N 1.14 3.21 -1.17 3.88 6.14 0.24 -0.58 117.35 130.21 1i57 s TYR 176 Ca 0.06 1.16 0.15 0.00 0.64 0.00 0.00 57.07 59.08 1i57 s TYR 176 Cb -0.22 -3.46 -0.06 0.00 0.42 0.00 0.00 41.96 38.64 1i57 s TYR 176 CO -0.04 -0.64 0.76 0.25 0.64 0.00 0.00 175.55 176.52 1i57 n THR 177 N 5.65 0.00 -1.27 4.34 -2.24 -0.59 -3.89 114.28 116.28 1i57 n THR 177 Ca 0.10 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 1i57 n THR 177 Cb 0.47 1.12 0.18 0.00 -2.10 0.00 0.00 70.33 70.00 1i57 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1i57 n THR 178 N -0.57 3.10 -2.80 4.28 -2.24 -1.11 -4.84 114.28 110.11 1i57 n THR 178 Ca 0.05 -2.07 -0.42 0.00 -2.27 0.00 0.00 64.05 59.35 1i57 n THR 178 Cb 0.29 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.04 1i57 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1i57 s TRP 179 N -3.30 3.58 0.61 4.78 -0.11 -1.26 -4.97 118.94 118.28 1i57 s TRP 179 Ca 0.55 1.53 -0.19 0.00 1.22 0.00 0.00 56.10 59.21 1i57 s TRP 179 Cb 0.47 -3.06 -0.03 0.00 -1.50 0.00 0.00 33.47 29.35 1i57 s TRP 179 CO 0.09 -0.06 1.18 -0.35 -4.62 0.00 0.00 176.95 173.19 1i57 n PRO 180 N 4.27 1.12 -0.31 5.86 -0.04 -1.26 -4.88 135.00 139.76 1i57 n PRO 180 Ca 0.05 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 64.04 1i57 n PRO 180 Cb 0.50 -2.40 0.26 0.00 -0.04 0.00 0.00 33.50 31.83 1i57 n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1i57 h ASP 181 N 0.66 0.50 -4.48 3.54 3.32 -2.00 -3.42 116.42 114.55 1i57 h ASP 181 Ca -0.50 0.11 -0.33 0.00 0.02 0.00 0.00 57.03 56.33 1i57 h ASP 181 Cb 1.34 0.04 -0.19 0.00 0.22 0.00 0.00 39.33 40.74 1i57 h ASP 181 CO 0.53 0.16 -0.74 -0.36 -1.72 0.00 0.00 179.24 177.10 1i57 s PHE 182 N -5.93 1.03 0.08 4.55 0.08 -1.26 -5.05 117.98 111.47 1i57 s PHE 182 Ca -0.12 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.36 1i57 s PHE 182 Cb 0.23 -0.57 0.00 0.00 -0.57 0.00 0.00 43.02 42.11 1i57 s PHE 182 CO 0.78 -0.00 0.00 0.41 -0.10 0.00 0.00 175.22 176.31 1i57 n GLY 183 N 0.91 -2.10 3.89 4.36 0.00 -1.26 -4.92 105.19 106.07 1i57 n GLY 183 Ca -0.19 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1i57 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i57 s VAL 184 N -1.10 4.19 0.53 1.61 -7.23 -1.26 -4.62 120.40 112.51 1i57 s VAL 184 Ca 0.00 -1.23 -0.22 0.00 -1.81 0.00 0.00 61.98 58.71 1i57 s VAL 184 Cb 0.00 -3.41 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 1i57 s VAL 184 CO 0.00 -0.24 1.37 -2.84 -0.31 0.00 0.00 175.10 173.08 1i57 s PRO 185 N -3.99 3.25 0.27 4.82 0.02 -1.26 -4.87 135.00 133.23 1i57 s PRO 185 Ca 0.38 2.27 -0.05 0.00 0.02 0.00 0.00 61.00 63.63 1i57 s PRO 185 Cb -0.08 -2.33 0.33 0.00 0.02 0.00 0.00 34.50 32.43 1i57 s PRO 185 CO 0.28 -1.11 1.94 0.93 -0.33 0.00 0.00 177.00 178.70 1i57 h GLU 186 N 1.63 1.25 -6.13 5.54 4.39 -1.98 -3.42 114.58 115.85 1i57 h GLU 186 Ca -0.51 -0.07 -0.61 0.00 0.34 0.00 0.00 59.36 58.51 1i57 h GLU 186 Cb 1.29 -0.28 -0.28 0.00 -0.10 0.00 0.00 28.75 29.38 1i57 h GLU 186 CO 0.58 0.82 -0.85 0.45 -1.16 0.00 0.00 179.01 178.85 1i57 s SER 187 N -6.15 2.53 0.00 1.42 0.15 -1.26 -5.01 113.70 105.38 1i57 s SER 187 Ca -0.13 -0.45 0.07 0.00 0.70 0.00 0.00 55.95 56.14 1i57 s SER 187 Cb 0.18 -0.25 0.29 0.00 -1.71 0.00 0.00 66.02 64.53 1i57 s SER 187 CO 0.81 0.22 1.21 -0.81 1.20 0.00 0.00 173.24 175.87 1i57 n PRO 188 N 2.22 1.32 0.18 5.44 -0.04 -1.26 -4.45 135.00 138.42 1i57 n PRO 188 Ca -0.16 -0.49 -0.09 0.00 -0.04 0.00 0.00 63.50 62.72 1i57 n PRO 188 Cb 0.53 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 1i57 n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i57 h ALA 189 N 3.36 -1.05 -0.75 0.55 0.00 -1.97 0.17 119.26 119.56 1i57 h ALA 189 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1i57 h ALA 189 Cb 0.19 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1i57 h ALA 189 CO 0.00 -1.03 0.40 0.66 0.00 0.00 0.00 179.25 179.27 1i57 h SER 190 N -0.52 0.93 0.07 0.00 4.64 -1.99 -0.58 113.55 116.10 1i57 h SER 190 Ca -0.05 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1i57 h SER 190 Cb 0.42 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1i57 h SER 190 CO 0.04 0.76 -0.13 0.15 -0.87 0.00 0.00 176.83 176.77 1i57 h PHE 191 N 1.04 -0.34 -0.80 4.77 3.57 -1.80 0.24 116.94 123.63 1i57 h PHE 191 Ca 0.26 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 1i57 h PHE 191 Cb 0.04 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1i57 h PHE 191 CO 0.01 -0.20 0.38 -0.07 -2.23 0.00 0.00 178.31 176.20 1i57 h LEU 192 N -0.26 1.04 -0.39 0.59 3.38 -0.39 -0.24 115.31 119.04 1i57 h LEU 192 Ca 0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1i57 h LEU 192 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1i57 h LEU 192 CO -0.08 0.87 0.11 0.78 0.09 0.00 0.00 178.44 180.21 1i57 h ASN 193 N 1.13 0.58 -0.75 -0.43 2.35 -0.67 0.77 115.58 118.56 1i57 h ASN 193 Ca 0.27 -0.22 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1i57 h ASN 193 Cb 0.11 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 1i57 h ASN 193 CO -0.03 0.65 0.46 0.15 -1.65 0.00 0.00 177.43 177.00 1i57 h PHE 194 N 0.49 0.85 -0.41 1.19 3.57 -0.00 -0.19 116.94 122.44 1i57 h PHE 194 Ca 0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1i57 h PHE 194 Cb 0.29 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1i57 h PHE 194 CO 0.01 0.44 0.10 1.25 -2.23 0.00 0.00 178.31 177.88 1i57 h LEU 195 N 0.86 0.62 -1.27 0.59 5.85 -0.54 -0.20 115.31 121.22 1i57 h LEU 195 Ca 0.32 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1i57 h LEU 195 Cb 0.12 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1i57 h LEU 195 CO -0.15 0.69 0.07 -0.26 -0.34 0.00 0.00 178.44 178.45 1i57 h PHE 196 N 0.52 0.58 -0.32 1.25 0.04 -0.38 0.14 116.94 118.78 1i57 h PHE 196 Ca 0.13 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.78 1i57 h PHE 196 Cb 0.32 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1i57 h PHE 196 CO 0.02 0.52 -0.10 -0.22 -0.60 0.00 0.00 178.31 177.93 1i57 h LYS 197 N 0.56 0.63 -0.76 1.51 1.63 -0.60 0.19 116.57 119.72 1i57 h LYS 197 Ca 0.13 -0.25 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 1i57 h LYS 197 Cb 0.25 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.81 1i57 h LYS 197 CO -0.00 0.82 0.43 0.28 -3.45 0.00 0.00 179.45 177.53 1i57 h VAL 198 N 0.40 1.23 -0.62 2.00 2.07 -0.52 -2.08 116.25 118.72 1i57 h VAL 198 Ca 0.08 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1i57 h VAL 198 Cb 0.60 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1i57 h VAL 198 CO 0.04 0.25 0.31 0.03 0.02 0.00 0.00 177.57 178.21 1i57 h ARG 199 N 1.05 0.88 -0.39 1.57 3.08 -0.75 -2.85 114.38 116.98 1i57 h ARG 199 Ca 0.27 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1i57 h ARG 199 Cb 0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1i57 h ARG 199 CO -0.04 0.70 0.23 0.93 -1.07 0.00 0.00 179.97 180.72 1i57 h GLU 200 N 0.85 0.52 0.00 0.04 5.08 -0.37 -1.63 114.58 119.07 1i57 h GLU 200 Ca 0.21 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1i57 h GLU 200 Cb 0.10 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1i57 h GLU 200 CO -0.03 0.37 -0.03 0.66 -1.00 0.00 0.00 179.01 178.98 1i57 h SER 201 N 0.53 0.00 0.00 1.42 4.64 -1.15 -3.45 113.55 115.54 1i57 h SER 201 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1i57 h SER 201 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1i57 h SER 201 CO -0.03 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1i57 n GLY 202 N -0.73 0.85 0.31 -0.77 0.00 -0.61 -4.92 105.19 99.31 1i57 n GLY 202 Ca -0.02 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.21 1i57 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1i57 h SER 203 N 0.00 0.00 -0.09 1.61 0.02 -1.79 -0.91 113.55 112.39 1i57 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i57 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1i57 h SER 203 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1i57 n LEU 204 N -2.97 2.60 -4.76 5.07 4.77 -1.26 -4.31 117.00 116.14 1i57 n LEU 204 Ca -0.03 -0.93 -0.37 0.00 -0.03 0.00 0.00 56.01 54.66 1i57 n LEU 204 Cb 0.08 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1i57 n LEU 204 CO 0.19 0.46 0.87 -0.55 -1.33 0.00 0.00 177.39 177.03 1i57 s SER 205 N -1.89 5.55 0.59 -1.43 0.15 -0.35 -4.86 113.70 111.47 1i57 s SER 205 Ca 0.32 2.44 0.40 0.00 0.70 0.00 0.00 55.95 59.81 1i57 s SER 205 Cb 0.20 -2.61 2.13 0.00 -1.71 0.00 0.00 66.02 64.04 1i57 s SER 205 CO 0.31 -1.35 2.22 -0.65 1.20 0.00 0.00 173.24 174.96 1i57 h PRO 206 N 1.41 0.00 0.00 5.44 0.11 -1.92 -1.70 132.00 135.34 1i57 h PRO 206 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1i57 h PRO 206 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1i57 h PRO 206 CO 0.57 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.29 1i57 h GLU 207 N 0.00 0.00 -5.58 1.05 5.08 -1.91 -3.44 114.58 109.78 1i57 h GLU 207 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1i57 h GLU 207 Cb 0.04 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.16 1i57 h GLU 207 CO 0.00 0.00 -0.59 -1.01 -1.00 0.00 0.00 179.01 176.41 1i57 s HIS 208 N -3.35 2.41 1.16 4.33 3.76 -0.64 -5.10 115.29 117.85 1i57 s HIS 208 Ca 0.04 -0.72 -0.15 0.00 -0.15 0.00 0.00 55.06 54.08 1i57 s HIS 208 Cb 0.09 -1.72 0.27 0.00 1.11 0.00 0.00 32.58 32.33 1i57 s HIS 208 CO 0.40 0.39 1.05 0.20 -0.85 0.00 0.00 174.74 175.92 1i57 s GLY 209 N -3.70 1.53 0.40 -2.22 0.00 0.17 -4.89 107.32 98.61 1i57 s GLY 209 Ca 0.33 -0.42 -0.27 0.00 0.00 0.00 0.00 44.72 44.36 1i57 s GLY 209 CO 0.16 0.33 1.41 -4.14 0.00 0.00 0.00 173.10 170.87 1i57 s PRO 210 N -4.82 3.98 0.42 2.90 0.02 -1.26 -4.31 135.00 131.94 1i57 s PRO 210 Ca 0.68 2.40 -0.25 0.00 0.02 0.00 0.00 61.00 63.84 1i57 s PRO 210 Cb -0.20 -2.85 -0.08 0.00 0.02 0.00 0.00 34.50 31.39 1i57 s PRO 210 CO 0.61 -0.57 1.31 0.54 -0.33 0.00 0.00 177.00 178.55 1i57 s VAL 211 N -1.17 2.57 -0.25 3.83 0.11 -1.26 -4.45 120.40 119.78 1i57 s VAL 211 Ca 0.56 0.50 -0.13 0.00 -2.93 0.00 0.00 61.98 59.97 1i57 s VAL 211 Cb -0.43 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 1i57 s VAL 211 CO 0.57 0.06 0.30 -0.69 -3.33 0.00 0.00 175.10 172.01 1i57 s VAL 212 N -1.28 5.25 -0.16 2.04 1.01 -0.64 -0.55 120.40 126.06 1i57 s VAL 212 Ca 0.59 0.45 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1i57 s VAL 212 Cb -0.38 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1i57 s VAL 212 CO 0.48 0.24 -0.18 -0.69 0.00 0.00 0.00 175.10 174.95 1i57 s VAL 213 N 1.59 2.30 0.22 2.92 1.01 0.40 -0.07 120.40 128.77 1i57 s VAL 213 Ca 0.13 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.32 1i57 s VAL 213 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1i57 s VAL 213 CO 0.08 0.53 -0.06 -1.38 0.00 0.00 0.00 175.10 174.27 1i57 s HIS 214 N 1.05 2.65 0.28 5.22 -3.43 -1.10 -1.80 115.29 118.14 1i57 s HIS 214 Ca -0.01 -0.22 -0.01 0.00 -0.80 0.00 0.00 55.06 54.01 1i57 s HIS 214 Cb -0.14 -1.24 0.06 0.00 -1.43 0.00 0.00 32.58 29.82 1i57 s HIS 214 CO -0.06 0.56 0.38 0.45 -2.00 0.00 0.00 174.74 174.07 1i57 n SER 215 N -0.34 0.37 -3.75 7.38 2.88 0.10 -4.30 113.62 115.97 1i57 n SER 215 Ca -0.09 -1.34 -0.11 0.00 -1.33 0.00 0.00 58.87 56.00 1i57 n SER 215 Cb 0.57 -0.26 -0.07 0.00 -0.75 0.00 0.00 64.21 63.70 1i57 n SER 215 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1i57 s SER 216 N -2.49 -0.11 0.49 -3.46 1.04 -1.26 -1.81 113.70 106.10 1i57 s SER 216 Ca 0.24 -0.27 -0.20 0.00 0.48 0.00 0.00 55.95 56.20 1i57 s SER 216 Cb -0.01 0.37 -0.11 0.00 0.10 0.00 0.00 66.02 66.37 1i57 s SER 216 CO 0.16 -0.67 0.50 0.00 0.98 0.00 0.00 173.24 174.21 1i57 n ALA 217 N 0.37 -1.42 0.00 5.32 0.00 0.15 -3.64 120.51 121.29 1i57 n ALA 217 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1i57 n ALA 217 Cb 0.60 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1i57 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i57 n GLY 218 N 1.82 1.95 3.35 0.00 0.00 -1.26 -4.59 105.19 106.46 1i57 n GLY 218 Ca 0.11 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1i57 n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i57 s ILE 219 N 0.00 4.85 0.71 -0.61 1.01 -1.26 -5.08 121.20 120.81 1i57 s ILE 219 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 1i57 s ILE 219 Cb 0.00 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.61 1i57 s ILE 219 CO 0.00 -0.50 1.10 -0.83 0.00 0.00 0.00 174.94 174.71 1i57 s GLY 220 N 2.26 1.62 -0.01 6.18 0.00 -1.24 -4.83 107.32 111.31 1i57 s GLY 220 Ca 0.04 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.37 1i57 s GLY 220 CO 0.05 -0.02 0.83 -0.96 0.00 0.00 0.00 173.10 173.00 1i57 n ARG 221 N -3.02 0.23 -0.13 2.90 0.00 -1.26 -4.45 116.66 110.93 1i57 n ARG 221 Ca 0.07 -0.94 0.07 0.00 -0.00 0.00 0.00 57.85 57.04 1i57 n ARG 221 Cb 0.58 -0.59 0.40 0.00 -0.00 0.00 0.00 32.46 32.84 1i57 n ARG 221 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1i57 h SER 222 N 0.00 0.57 -0.49 2.89 4.64 -1.94 -2.33 113.55 116.89 1i57 h SER 222 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1i57 h SER 222 Cb 1.18 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1i57 h SER 222 CO 0.00 0.37 0.33 1.23 -0.87 0.00 0.00 176.83 177.89 1i57 h GLY 223 N 0.65 0.69 0.98 -0.77 0.00 -1.93 -2.89 103.07 99.81 1i57 h GLY 223 Ca 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1i57 h GLY 223 CO -0.08 0.25 0.23 -0.91 0.00 0.00 0.00 176.54 176.03 1i57 h THR 224 N 0.66 1.21 0.14 4.70 1.35 -1.78 -0.57 112.91 118.63 1i57 h THR 224 Ca 0.18 -0.65 0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1i57 h THR 224 Cb -0.07 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 66.95 1i57 h THR 224 CO -0.04 0.25 -0.26 0.15 -0.25 0.00 0.00 175.52 175.38 1i57 h PHE 225 N 0.74 -0.68 -0.31 4.73 3.57 -1.59 0.84 116.94 124.24 1i57 h PHE 225 Ca 0.18 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1i57 h PHE 225 Cb 0.18 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1i57 h PHE 225 CO 0.00 -0.36 -0.19 0.00 -2.23 0.00 0.00 178.31 175.53 1i57 h LEU 227 N 0.50 -0.09 -0.57 0.00 5.85 -0.75 0.14 115.31 120.39 1i57 h LEU 227 Ca 0.08 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1i57 h LEU 227 Cb 0.62 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1i57 h LEU 227 CO 0.04 0.26 0.33 0.00 -0.34 0.00 0.00 178.44 178.74 1i57 h ALA 228 N 0.42 0.73 -0.20 1.25 0.00 -0.80 0.18 119.26 120.85 1i57 h ALA 228 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1i57 h ALA 228 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1i57 h ALA 228 CO 0.02 0.04 0.10 0.22 0.00 0.00 0.00 179.25 179.63 1i57 h ASP 229 N 0.65 0.26 -0.57 0.00 3.58 -1.02 -1.80 116.42 117.52 1i57 h ASP 229 Ca 0.23 -0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 1i57 h ASP 229 Cb 0.06 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1i57 h ASP 229 CO -0.12 0.31 0.05 0.74 -2.88 0.00 0.00 179.24 177.34 1i57 h THR 230 N 0.19 1.26 0.20 2.25 2.02 -0.62 -2.24 112.91 115.97 1i57 h THR 230 Ca 0.07 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.21 1i57 h THR 230 Cb 0.12 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1i57 h THR 230 CO -0.01 0.38 -0.25 0.00 0.37 0.00 0.00 175.52 176.01 1i57 h LEU 232 N -0.49 0.21 -0.71 0.00 3.38 -1.25 0.15 115.31 116.60 1i57 h LEU 232 Ca 0.01 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1i57 h LEU 232 Cb 0.48 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1i57 h LEU 232 CO -0.09 0.09 0.37 -0.07 0.09 0.00 0.00 178.44 178.82 1i57 h LEU 233 N 0.40 0.50 -0.08 1.67 3.38 -0.98 -0.89 115.31 119.30 1i57 h LEU 233 Ca 0.38 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1i57 h LEU 233 Cb 0.56 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1i57 h LEU 233 CO -0.39 0.29 0.03 -0.07 0.09 0.00 0.00 178.44 178.39 1i57 h LEU 234 N 0.63 0.12 -1.44 1.67 3.38 0.12 -0.86 115.31 118.93 1i57 h LEU 234 Ca 0.34 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1i57 h LEU 234 Cb 0.32 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1i57 h LEU 234 CO -0.24 0.29 0.44 0.24 0.09 0.00 0.00 178.44 179.26 1i57 h MET 235 N -0.05 0.67 0.00 1.13 2.86 -0.62 0.11 114.93 119.02 1i57 h MET 235 Ca 0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1i57 h MET 235 Cb 0.21 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1i57 h MET 235 CO -0.00 0.44 -0.08 0.22 1.06 0.00 0.00 176.91 178.55 1i57 h ASP 236 N 0.69 0.00 0.00 1.22 3.58 -0.97 -3.35 116.42 117.59 1i57 h ASP 236 Ca 0.29 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.42 1i57 h ASP 236 Cb 0.26 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.25 1i57 h ASP 236 CO -0.09 0.07 -2.33 1.17 -2.88 0.00 0.00 179.24 175.17 1i57 n LYS 237 N -3.11 0.69 -2.21 0.28 4.81 -0.35 -4.98 118.16 113.29 1i57 n LYS 237 Ca 0.04 -0.04 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1i57 n LYS 237 Cb 0.56 -1.52 -0.01 0.00 0.02 0.00 0.00 35.03 34.08 1i57 n LYS 237 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1i57 s ARG 238 N -2.64 3.70 0.04 1.64 0.52 0.28 -4.98 118.95 117.51 1i57 s ARG 238 Ca -0.10 0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 55.52 1i57 s ARG 238 Cb 0.07 -2.17 -0.18 0.00 0.52 0.00 0.00 34.95 33.20 1i57 s ARG 238 CO 0.84 -0.39 1.43 -0.22 0.02 0.00 0.00 175.30 176.98 1i57 h LYS 239 N 0.23 -0.75 -3.98 3.54 1.63 -1.89 -3.36 116.57 111.98 1i57 h LYS 239 Ca -0.45 0.05 -0.77 0.00 -0.85 0.00 0.00 60.65 58.62 1i57 h LYS 239 Cb 1.19 0.17 -0.25 0.00 -0.60 0.00 0.00 32.23 32.74 1i57 h LYS 239 CO 0.62 -0.45 -0.07 0.34 -3.45 0.00 0.00 179.45 176.44 1i57 s ASP 240 N -4.59 6.46 0.65 4.20 3.68 -1.26 -4.92 116.67 120.89 1i57 s ASP 240 Ca -0.16 -2.20 0.35 0.00 2.13 0.00 0.00 52.55 52.67 1i57 s ASP 240 Cb 0.03 -2.21 1.93 0.00 -1.45 0.00 0.00 42.92 41.22 1i57 s ASP 240 CO 0.56 -0.73 2.13 1.55 0.13 0.00 0.00 175.17 178.82 1i57 h PRO 241 N 8.38 0.00 -0.00 4.34 0.13 -1.75 0.40 132.00 143.49 1i57 h PRO 241 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1i57 h PRO 241 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1i57 h PRO 241 CO 0.91 0.00 -0.00 0.43 -0.23 0.00 0.00 178.00 179.11 1i57 n SER 242 N -3.21 0.25 -0.36 1.44 7.64 -1.26 -3.14 113.62 114.98 1i57 n SER 242 Ca -0.01 -1.05 0.14 0.00 1.01 0.00 0.00 58.87 58.97 1i57 n SER 242 Cb 0.26 -0.01 0.63 0.00 -1.01 0.00 0.00 64.21 64.08 1i57 n SER 242 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1i57 n SER 243 N -0.82 1.12 -4.62 6.43 3.41 0.13 -4.25 113.62 115.03 1i57 n SER 243 Ca 0.23 -1.37 -0.43 0.00 -0.26 0.00 0.00 58.87 57.04 1i57 n SER 243 Cb 0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1i57 n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1i57 s VAL 244 N -2.00 4.23 -0.55 -3.33 1.01 -1.19 -4.99 120.40 113.57 1i57 s VAL 244 Ca 0.40 1.33 -0.18 0.00 0.00 0.00 0.00 61.98 63.53 1i57 s VAL 244 Cb 0.21 -4.40 0.10 0.00 0.00 0.00 0.00 36.38 32.29 1i57 s VAL 244 CO 0.34 -0.72 0.61 -0.62 0.00 0.00 0.00 175.10 174.72 1i57 s ASP 245 N 2.54 6.19 0.29 3.32 -1.08 -1.26 -4.91 116.67 121.75 1i57 s ASP 245 Ca 0.51 -1.41 0.03 0.00 -0.52 0.00 0.00 52.55 51.16 1i57 s ASP 245 Cb -0.11 -2.27 0.62 0.00 -1.46 0.00 0.00 42.92 39.70 1i57 s ASP 245 CO 0.26 -0.97 1.81 0.40 0.52 0.00 0.00 175.17 177.18 1i57 h ILE 246 N 5.89 0.82 -0.65 4.11 2.04 -1.99 0.21 117.51 127.95 1i57 h ILE 246 Ca -0.29 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1i57 h ILE 246 Cb 1.09 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1i57 h ILE 246 CO 1.04 0.16 0.26 0.11 0.00 0.00 0.00 178.15 179.72 1i57 h LYS 247 N 0.88 0.97 -0.47 2.37 1.57 -1.99 0.11 116.57 120.01 1i57 h LYS 247 Ca 0.53 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 59.01 1i57 h LYS 247 Cb 0.66 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1i57 h LYS 247 CO -0.32 0.81 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.95 1i57 h LYS 248 N 0.91 0.97 -0.49 3.15 3.11 -1.54 -0.36 116.57 122.32 1i57 h LYS 248 Ca 0.22 -0.41 -0.03 0.00 -2.81 0.00 0.00 60.65 57.61 1i57 h LYS 248 Cb 0.21 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1i57 h LYS 248 CO -0.02 1.08 0.18 0.28 -2.81 0.00 0.00 179.45 178.17 1i57 h VAL 249 N 0.82 1.22 -0.43 2.00 2.07 -0.28 -0.41 116.25 121.24 1i57 h VAL 249 Ca 0.11 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1i57 h VAL 249 Cb 0.78 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1i57 h VAL 249 CO 0.06 0.26 0.28 0.25 0.02 0.00 0.00 177.57 178.44 1i57 h LEU 250 N 0.66 0.50 -1.26 2.57 5.85 -0.61 -0.85 115.31 122.17 1i57 h LEU 250 Ca 0.16 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1i57 h LEU 250 Cb 0.22 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1i57 h LEU 250 CO -0.01 0.37 0.40 -0.07 -0.34 0.00 0.00 178.44 178.79 1i57 h LEU 251 N 0.58 0.79 -0.39 2.25 3.38 -0.64 0.55 115.31 121.83 1i57 h LEU 251 Ca 0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1i57 h LEU 251 Cb -0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1i57 h LEU 251 CO -0.03 0.61 0.21 -0.08 0.09 0.00 0.00 178.44 179.23 1i57 h GLU 252 N 0.91 0.56 -0.64 1.13 4.57 -0.20 -2.50 114.58 118.41 1i57 h GLU 252 Ca 0.24 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.29 1i57 h GLU 252 Cb -0.03 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1i57 h GLU 252 CO -0.04 0.47 0.16 0.52 -1.18 0.00 0.00 179.01 178.93 1i57 h MET 253 N 0.50 1.00 0.00 1.92 2.86 -0.35 -1.64 114.93 119.22 1i57 h MET 253 Ca 0.14 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1i57 h MET 253 Cb 0.08 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1i57 h MET 253 CO -0.02 0.88 0.00 0.54 1.06 0.00 0.00 176.91 179.37 1i57 n ARG 254 N -4.25 0.07 0.22 1.72 1.74 0.10 -0.28 116.66 115.99 1i57 n ARG 254 Ca 0.05 0.26 0.14 0.00 -0.77 0.00 0.00 57.85 57.53 1i57 n ARG 254 Cb 0.24 -1.50 0.43 0.00 -1.02 0.00 0.00 32.46 30.61 1i57 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1i57 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -0.92 -3.31 116.57 119.46 1i57 h LYS 255 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1i57 h LYS 255 Cb 0.13 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1i57 h LYS 255 CO 0.00 0.00 -2.18 1.19 -0.57 0.00 0.00 179.45 177.89 1i57 n PHE 256 N -2.91 0.00 -3.75 -1.35 3.01 0.62 -4.97 117.46 108.10 1i57 n PHE 256 Ca 0.03 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.36 1i57 n PHE 256 Cb 0.40 -0.84 -0.12 0.00 -0.01 0.00 0.00 39.48 38.90 1i57 n PHE 256 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1i57 s ARG 257 N -2.42 0.25 0.71 -1.08 3.52 -1.00 -4.49 118.95 114.44 1i57 s ARG 257 Ca -0.11 0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 55.83 1i57 s ARG 257 Cb 0.05 -0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 1i57 s ARG 257 CO 0.68 -0.11 1.10 0.00 -0.81 0.00 0.00 175.30 176.16 1i57 s MET 258 N 0.80 2.57 0.00 5.12 0.23 -1.26 -4.10 119.30 122.66 1i57 s MET 258 Ca -0.05 1.28 0.00 0.00 -1.03 0.00 0.00 55.69 55.89 1i57 s MET 258 Cb -0.07 -1.93 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 1i57 s MET 258 CO -0.05 -1.41 0.00 0.41 -2.03 0.00 0.00 175.02 171.94 1i57 n GLY 259 N -0.86 0.33 3.69 3.16 0.00 -1.26 -4.93 105.19 105.31 1i57 n GLY 259 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1i57 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i57 n LEU 260 N 0.00 3.59 -1.04 0.99 4.77 -1.26 -3.89 117.00 120.17 1i57 n LEU 260 Ca 0.00 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 1i57 n LEU 260 Cb 0.14 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 1i57 n LEU 260 CO 0.00 -0.03 0.00 -0.38 -1.33 0.00 0.00 177.39 175.65 1i57 n ILE 261 N 4.13 -2.07 1.21 -0.08 2.08 -1.26 -4.99 119.36 118.37 1i57 n ILE 261 Ca 0.18 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.61 1i57 n ILE 261 Cb 0.32 -2.60 0.28 0.00 -0.75 0.00 0.00 39.64 36.90 1i57 n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1i57 n GLN 262 N 0.37 1.24 -3.84 0.38 6.02 -1.25 -4.96 117.38 115.35 1i57 n GLN 262 Ca 0.00 -0.86 -0.10 0.00 -0.01 0.00 0.00 57.00 56.04 1i57 n GLN 262 Cb 0.00 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 1i57 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1i57 s THR 263 N -2.35 0.05 0.26 5.09 -4.23 -1.26 -5.02 115.64 108.17 1i57 s THR 263 Ca 0.26 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1i57 s THR 263 Cb 0.19 -1.68 0.20 0.00 1.34 0.00 0.00 72.50 72.56 1i57 s THR 263 CO 0.48 -0.21 1.87 0.00 -0.54 0.00 0.00 174.62 176.21 1i57 h ALA 264 N 2.37 1.22 -0.91 3.99 0.00 -1.92 -2.01 119.26 122.00 1i57 h ALA 264 Ca -0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1i57 h ALA 264 Cb 1.25 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1i57 h ALA 264 CO 0.43 0.61 0.52 -0.44 0.00 0.00 0.00 179.25 180.37 1i57 h ASP 265 N 1.11 1.12 0.55 0.00 3.32 -1.96 0.14 116.42 120.71 1i57 h ASP 265 Ca 0.28 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1i57 h ASP 265 Cb 0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1i57 h ASP 265 CO -0.04 0.88 -0.43 1.56 -1.72 0.00 0.00 179.24 179.50 1i57 h GLN 266 N 1.26 0.00 -0.29 3.56 4.20 -1.82 0.48 115.11 122.51 1i57 h GLN 266 Ca 0.32 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.87 1i57 h GLN 266 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1i57 h GLN 266 CO -0.06 0.43 -0.47 1.25 -0.67 0.00 0.00 178.83 179.31 1i57 h LEU 267 N 0.00 0.84 -0.16 1.46 5.85 -0.57 -0.55 115.31 122.18 1i57 h LEU 267 Ca -0.00 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 1i57 h LEU 267 Cb 0.82 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1i57 h LEU 267 CO 0.06 1.17 -0.22 -0.09 -0.34 0.00 0.00 178.44 179.02 1i57 h ARG 268 N 0.61 0.43 -0.83 1.25 2.43 0.08 -1.63 114.38 116.73 1i57 h ARG 268 Ca 0.03 -0.25 0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1i57 h ARG 268 Cb 1.04 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 1i57 h ARG 268 CO 0.10 0.83 0.54 0.35 -1.51 0.00 0.00 179.97 180.28 1i57 h PHE 269 N 0.06 0.83 -0.49 2.20 3.57 -0.05 -0.47 116.94 122.58 1i57 h PHE 269 Ca 0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1i57 h PHE 269 Cb 0.78 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1i57 h PHE 269 CO 0.09 0.38 -0.04 0.77 -2.23 0.00 0.00 178.31 177.28 1i57 h SER 270 N 0.76 0.88 -0.58 0.41 0.02 -0.68 0.13 113.55 114.50 1i57 h SER 270 Ca 0.39 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1i57 h SER 270 Cb 0.47 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1i57 h SER 270 CO -0.16 1.00 0.34 1.88 -1.14 0.00 0.00 176.83 178.75 1i57 h TYR 271 N 0.75 0.63 0.73 3.45 -1.99 -0.17 -1.53 116.97 118.85 1i57 h TYR 271 Ca 0.14 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.85 1i57 h TYR 271 Cb 0.57 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 39.09 1i57 h TYR 271 CO 0.04 0.34 -0.46 1.25 -0.00 0.00 0.00 178.16 179.34 1i57 h LEU 272 N 0.66 -1.15 -0.71 3.88 5.85 -0.94 -1.54 115.31 121.36 1i57 h LEU 272 Ca 0.24 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.10 1i57 h LEU 272 Cb 0.06 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1i57 h LEU 272 CO -0.12 -0.70 0.39 0.00 -0.34 0.00 0.00 178.44 177.66 1i57 h ALA 273 N -0.97 0.96 -0.07 1.25 0.00 -0.81 0.00 119.26 119.63 1i57 h ALA 273 Ca -0.10 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1i57 h ALA 273 Cb 0.90 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1i57 h ALA 273 CO 0.09 0.04 -0.28 0.28 0.00 0.00 0.00 179.25 179.38 1i57 h VAL 274 N 0.69 1.23 0.37 0.00 2.07 -1.23 0.81 116.25 120.19 1i57 h VAL 274 Ca 0.33 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1i57 h VAL 274 Cb 0.25 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1i57 h VAL 274 CO -0.21 0.32 -0.18 0.40 0.02 0.00 0.00 177.57 177.93 1i57 h ILE 275 N 0.11 0.00 -0.70 4.57 2.04 -0.03 -0.39 117.51 123.12 1i57 h ILE 275 Ca 0.02 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.63 1i57 h ILE 275 Cb 0.56 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 1i57 h ILE 275 CO 0.04 0.00 0.34 -0.33 0.00 0.00 0.00 178.15 178.20 1i57 h GLU 276 N -0.83 0.57 -0.76 2.37 4.39 -1.10 -1.95 114.58 117.27 1i57 h GLU 276 Ca -0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1i57 h GLU 276 Cb 0.38 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1i57 h GLU 276 CO 0.08 0.38 0.45 0.78 -1.16 0.00 0.00 179.01 179.53 1i57 h GLY 277 N 0.58 1.11 2.00 -3.84 0.00 -0.88 0.40 103.07 102.44 1i57 h GLY 277 Ca 0.34 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1i57 h GLY 277 CO -0.27 0.46 -0.11 0.00 0.00 0.00 0.00 176.54 176.62 1i57 h ALA 278 N 1.23 1.30 0.46 3.60 0.00 -0.45 -1.09 119.26 124.31 1i57 h ALA 278 Ca 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1i57 h ALA 278 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i57 h ALA 278 CO -0.05 0.14 -0.22 0.87 0.00 0.00 0.00 179.25 179.99 1i57 h LYS 279 N 0.00 -0.59 0.33 0.00 6.56 -0.23 -2.67 116.57 119.96 1i57 h LYS 279 Ca -0.00 0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 1i57 h LYS 279 Cb 0.32 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 1i57 h LYS 279 CO 0.01 -0.29 -0.33 0.74 -2.06 0.00 0.00 179.45 177.53 1i57 h PHE 280 N -0.97 -0.92 0.00 -1.35 0.05 -0.75 0.38 116.94 113.38 1i57 h PHE 280 Ca -0.06 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.73 1i57 h PHE 280 Cb 0.58 0.36 0.00 0.00 2.00 0.00 0.00 35.95 38.89 1i57 h PHE 280 CO 0.01 -0.44 0.21 -0.89 -0.18 0.00 0.00 178.31 177.03 1i57 n ILE 281 N -4.38 1.04 -0.11 -0.55 5.41 -0.46 -0.04 119.36 120.27 1i57 n ILE 281 Ca -0.08 0.47 -0.22 0.00 1.00 0.00 0.00 62.75 63.93 1i57 n ILE 281 Cb 0.30 -1.47 -0.07 0.00 -0.71 0.00 0.00 39.64 37.69 1i57 n ILE 281 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1i57 n MET 282 N -1.25 0.48 -0.08 0.38 1.56 -0.42 -3.84 117.12 113.96 1i57 n MET 282 Ca 0.00 0.21 -0.14 0.00 -0.27 0.00 0.00 57.70 57.50 1i57 n MET 282 Cb 0.21 -1.31 -0.05 0.00 2.15 0.00 0.00 33.22 34.23 1i57 n MET 282 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1i57 h GLY 283 N -0.82 0.76 0.00 -5.12 0.00 0.88 -3.37 103.07 95.39 1i57 h GLY 283 Ca -0.48 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.00 1i57 h GLY 283 CO -0.29 0.76 -0.20 -1.80 0.00 0.00 0.00 176.54 175.01 1i57 h ASP 284 N 0.42 0.00 0.00 0.19 1.82 -0.66 -3.51 116.42 114.69 1i57 h ASP 284 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1i57 h ASP 284 Cb 0.96 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1i57 h ASP 284 CO 0.09 0.49 0.00 -0.24 -1.61 0.00 0.00 179.24 177.97