#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t49 n GLU 2 N 0.00 -0.10 0.20 2.12 4.07 -1.26 0.12 120.64 125.79 1t49 n GLU 2 Ca 0.00 0.89 0.04 0.00 -0.06 0.00 0.00 57.16 58.03 1t49 n GLU 2 Cb 0.00 -1.32 0.42 0.00 -0.06 0.00 0.00 31.44 30.48 1t49 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1t49 h MET 3 N 0.00 0.00 -0.46 5.31 -0.00 -1.91 -1.92 114.93 115.94 1t49 h MET 3 Ca 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.90 1t49 h MET 3 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.96 1t49 h MET 3 CO -0.58 0.32 0.17 1.49 -0.00 0.00 0.00 176.91 178.32 1t49 h GLU 4 N 0.00 0.70 -0.79 -0.10 4.81 0.44 0.91 114.58 120.56 1t49 h GLU 4 Ca -0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1t49 h GLU 4 Cb 0.61 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1t49 h GLU 4 CO 0.04 0.65 0.48 0.87 -0.73 0.00 0.00 179.01 180.32 1t49 h LYS 5 N 0.61 1.07 -0.32 1.92 1.57 -0.91 0.18 116.57 120.69 1t49 h LYS 5 Ca 0.15 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1t49 h LYS 5 Cb 0.22 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1t49 h LYS 5 CO -0.01 0.75 -0.05 1.49 -0.57 0.00 0.00 179.45 181.05 1t49 h GLU 6 N 1.09 0.60 -0.20 3.15 4.81 -1.05 -1.47 114.58 121.51 1t49 h GLU 6 Ca 0.28 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1t49 h GLU 6 Cb -0.05 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 1t49 h GLU 6 CO -0.05 0.77 -0.21 0.35 -0.73 0.00 0.00 179.01 179.14 1t49 h PHE 7 N 0.39 -0.54 -0.12 0.92 3.04 0.13 -0.07 116.94 120.69 1t49 h PHE 7 Ca 0.08 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 1t49 h PHE 7 Cb 0.53 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1t49 h PHE 7 CO 0.05 -0.29 -0.12 0.93 -2.02 0.00 0.00 178.31 176.86 1t49 h GLU 8 N -0.23 0.18 -0.36 1.11 5.08 -0.57 -0.93 114.58 118.86 1t49 h GLU 8 Ca 0.12 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1t49 h GLU 8 Cb 0.41 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1t49 h GLU 8 CO -0.34 0.31 -0.37 0.37 -1.00 0.00 0.00 179.01 177.98 1t49 h GLN 9 N 0.17 0.88 -0.47 2.33 4.15 -0.19 -1.49 115.11 120.48 1t49 h GLN 9 Ca 0.04 -0.47 -0.12 0.00 0.77 0.00 0.00 58.65 58.86 1t49 h GLN 9 Cb 0.32 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1t49 h GLN 9 CO 0.02 1.12 -0.20 0.82 -1.93 0.00 0.00 178.83 178.66 1t49 h ILE 10 N 0.68 1.27 0.21 2.39 2.04 -0.57 -1.30 117.51 122.24 1t49 h ILE 10 Ca 0.05 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1t49 h ILE 10 Cb 0.96 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1t49 h ILE 10 CO 0.09 0.46 -0.17 0.44 0.00 0.00 0.00 178.15 178.97 1t49 h ASP 11 N 0.82 -0.45 -0.77 1.72 5.19 -1.09 0.15 116.42 121.99 1t49 h ASP 11 Ca 0.11 0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.61 1t49 h ASP 11 Cb 0.76 0.15 -0.05 0.00 0.18 0.00 0.00 39.33 40.36 1t49 h ASP 11 CO 0.06 -0.27 0.47 0.50 -3.12 0.00 0.00 179.24 176.89 1t49 h LYS 12 N -0.40 0.87 -0.00 3.56 3.64 -1.18 -1.23 116.57 121.82 1t49 h LYS 12 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1t49 h LYS 12 Cb 0.36 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1t49 h LYS 12 CO -0.02 0.57 -0.05 -1.13 -2.27 0.00 0.00 179.45 176.56 1t49 n SER 13 N -4.66 0.43 -3.90 4.20 3.41 -0.50 -4.93 113.62 107.68 1t49 n SER 13 Ca 0.10 -0.77 -0.27 0.00 -0.26 0.00 0.00 58.87 57.66 1t49 n SER 13 Cb 0.13 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 1t49 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t49 n GLY 14 N 1.19 -0.34 1.04 5.00 0.00 0.45 -4.90 105.19 107.63 1t49 n GLY 14 Ca 0.18 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.36 1t49 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t49 n SER 15 N -2.92 3.17 -0.19 1.61 3.41 -0.82 -4.68 113.62 113.20 1t49 n SER 15 Ca -0.16 -3.40 -0.07 0.00 -0.26 0.00 0.00 58.87 54.98 1t49 n SER 15 Cb 0.62 -0.60 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1t49 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1t49 h TRP 16 N 1.34 0.71 -0.90 7.33 4.06 -1.91 -1.21 115.95 125.37 1t49 h TRP 16 Ca 0.13 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.08 1t49 h TRP 16 Cb 1.59 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 29.47 1t49 h TRP 16 CO 0.77 0.49 0.59 0.00 -3.56 0.00 0.00 178.44 176.74 1t49 h ALA 17 N 1.16 1.14 -0.35 1.49 0.00 -1.91 -1.03 119.26 119.75 1t49 h ALA 17 Ca 0.19 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1t49 h ALA 17 Cb -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1t49 h ALA 17 CO -0.04 0.55 -0.29 0.00 0.00 0.00 0.00 179.25 179.47 1t49 h ALA 18 N 1.32 0.51 -0.50 0.00 0.00 -1.82 -0.60 119.26 118.18 1t49 h ALA 18 Ca 0.33 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1t49 h ALA 18 Cb -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1t49 h ALA 18 CO -0.07 0.53 0.21 0.82 0.00 0.00 0.00 179.25 180.75 1t49 h ILE 19 N 0.61 1.20 -0.26 0.00 1.08 -1.03 -1.47 117.51 117.64 1t49 h ILE 19 Ca 0.06 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1t49 h ILE 19 Cb 0.86 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1t49 h ILE 19 CO 0.07 0.24 0.11 0.22 -0.69 0.00 0.00 178.15 178.10 1t49 h TYR 20 N 0.66 0.40 -1.00 1.37 3.20 -1.09 -2.13 116.97 118.38 1t49 h TYR 20 Ca 0.17 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.08 1t49 h TYR 20 Cb 0.17 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 1t49 h TYR 20 CO 0.00 0.40 0.64 1.96 -1.64 0.00 0.00 178.16 179.53 1t49 h GLN 21 N 0.27 1.11 -0.68 1.82 1.08 -0.96 -0.39 115.11 117.35 1t49 h GLN 21 Ca 0.09 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.26 1t49 h GLN 21 Cb 0.18 -0.25 -0.05 0.00 -0.05 0.00 0.00 27.48 27.31 1t49 h GLN 21 CO -0.01 0.73 0.41 -0.44 -0.95 0.00 0.00 178.83 178.57 1t49 h ASP 22 N 1.14 0.65 -0.24 1.46 3.32 -0.83 -0.10 116.42 121.81 1t49 h ASP 22 Ca 0.44 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 1t49 h ASP 22 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1t49 h ASP 22 CO -0.19 0.44 0.07 0.40 -1.72 0.00 0.00 179.24 178.23 1t49 h ILE 23 N 0.78 1.20 -0.81 0.35 2.04 -0.62 -1.70 117.51 118.76 1t49 h ILE 23 Ca 0.29 -0.66 0.13 0.00 1.00 0.00 0.00 64.86 65.62 1t49 h ILE 23 Cb 0.09 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.26 1t49 h ILE 23 CO -0.14 0.21 0.41 0.03 0.00 0.00 0.00 178.15 178.66 1t49 h ARG 24 N 0.22 0.59 -0.32 2.37 3.08 -0.61 0.28 114.38 119.99 1t49 h ARG 24 Ca 0.08 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 1t49 h ARG 24 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1t49 h ARG 24 CO -0.00 0.39 -0.38 1.25 -1.07 0.00 0.00 179.97 180.16 1t49 h HIS 25 N 0.61 0.88 0.00 3.04 2.76 -0.73 -3.09 115.15 118.62 1t49 h HIS 25 Ca 0.43 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1t49 h HIS 25 Cb 0.57 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1t49 h HIS 25 CO -0.10 1.01 -0.22 0.39 -1.30 0.00 0.00 177.93 177.71 1t49 n GLU 26 N -4.05 0.28 -1.66 5.26 1.02 -0.67 -4.93 120.64 115.89 1t49 n GLU 26 Ca -0.02 0.17 -0.39 0.00 -0.02 0.00 0.00 57.16 56.91 1t49 n GLU 26 Cb 0.52 -1.77 0.04 0.00 -0.02 0.00 0.00 31.44 30.22 1t49 n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t49 n ALA 27 N -1.80 0.73 -1.50 0.62 0.00 0.04 -4.94 120.51 113.66 1t49 n ALA 27 Ca 0.05 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 1t49 n ALA 27 Cb 0.43 -2.20 0.09 0.00 0.00 0.00 0.00 19.45 17.77 1t49 n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1t49 s SER 28 N -1.04 4.26 -0.20 0.00 0.01 -1.26 -5.03 113.70 110.44 1t49 s SER 28 Ca 0.72 2.51 -0.03 0.00 1.31 0.00 0.00 55.95 60.46 1t49 s SER 28 Cb -0.44 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.25 1t49 s SER 28 CO 0.49 -2.23 0.04 -0.62 0.41 0.00 0.00 173.24 171.34 1t49 s ASP 29 N -1.71 2.96 0.22 2.44 2.15 -1.26 -4.96 116.67 116.52 1t49 s ASP 29 Ca 0.79 -0.86 0.10 0.00 0.43 0.00 0.00 52.55 53.00 1t49 s ASP 29 Cb -0.34 -0.60 -0.05 0.00 -0.30 0.00 0.00 42.92 41.64 1t49 s ASP 29 CO 0.43 -0.31 -0.18 -0.36 -0.17 0.00 0.00 175.17 174.58 1t49 s PHE 30 N 1.86 1.97 0.43 -5.34 0.08 -1.26 -5.13 117.98 110.59 1t49 s PHE 30 Ca -0.00 -0.45 -0.25 0.00 0.12 0.00 0.00 56.93 56.34 1t49 s PHE 30 Cb -0.17 -0.91 -0.08 0.00 -0.57 0.00 0.00 43.02 41.29 1t49 s PHE 30 CO -0.09 0.48 1.26 -1.25 -0.10 0.00 0.00 175.22 175.52 1t49 s PRO 31 N -3.36 3.87 -0.47 0.24 0.04 -1.26 -4.88 135.00 129.18 1t49 s PRO 31 Ca 0.23 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.40 1t49 s PRO 31 Cb -0.04 -2.64 0.38 0.00 0.04 0.00 0.00 34.50 32.25 1t49 s PRO 31 CO 0.10 -0.54 0.97 0.00 0.04 0.00 0.00 177.00 177.57 1t49 h ARG 33 N 2.86 0.84 -0.43 0.00 2.43 -1.93 -2.68 114.38 115.47 1t49 h ARG 33 Ca 0.15 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1t49 h ARG 33 Cb 0.79 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1t49 h ARG 33 CO 0.74 0.83 0.18 0.28 -1.51 0.00 0.00 179.97 180.49 1t49 h VAL 34 N 0.72 1.20 -0.43 0.20 2.07 -1.92 -2.55 116.25 115.54 1t49 h VAL 34 Ca 0.15 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1t49 h VAL 34 Cb 0.40 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1t49 h VAL 34 CO 0.01 0.22 0.29 0.00 0.02 0.00 0.00 177.57 178.11 1t49 h ALA 35 N 1.02 2.05 -0.00 1.67 0.00 -1.81 -1.89 119.26 120.30 1t49 h ALA 35 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1t49 h ALA 35 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1t49 h ALA 35 CO -0.01 -0.15 -0.30 1.63 0.00 0.00 0.00 179.25 180.42 1t49 n LYS 36 N -4.47 0.26 -1.70 0.00 4.76 -0.99 -4.70 118.16 111.33 1t49 n LYS 36 Ca 0.06 -0.12 -0.44 0.00 -2.87 0.00 0.00 58.31 54.94 1t49 n LYS 36 Cb 0.31 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 1t49 n LYS 36 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1t49 n LEU 37 N -1.26 3.57 -0.38 -0.35 4.77 -0.71 -4.84 117.00 117.80 1t49 n LEU 37 Ca 0.08 1.08 0.29 0.00 -0.03 0.00 0.00 56.01 57.44 1t49 n LEU 37 Cb 0.33 -1.50 0.57 0.00 -2.33 0.00 0.00 43.42 40.48 1t49 n LEU 37 CO 0.30 -0.05 1.20 -0.65 -1.33 0.00 0.00 177.39 176.86 1t49 h PRO 38 N 6.22 0.23 0.00 3.23 0.11 -1.91 0.38 132.00 140.26 1t49 h PRO 38 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1t49 h PRO 38 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t49 h PRO 38 CO 0.91 0.15 0.00 0.36 -0.21 0.00 0.00 178.00 179.21 1t49 n LYS 39 N -4.76 0.16 -0.23 1.05 2.85 -1.26 -2.32 118.16 113.66 1t49 n LYS 39 Ca 0.32 0.40 0.12 0.00 -1.05 0.00 0.00 58.31 58.10 1t49 n LYS 39 Cb 1.15 -1.81 0.24 0.00 -0.65 0.00 0.00 35.03 33.96 1t49 n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1t49 n ASN 40 N -2.11 3.58 -0.34 -5.58 3.02 0.13 -4.54 115.26 109.42 1t49 n ASN 40 Ca 0.02 -1.99 0.11 0.00 -0.03 0.00 0.00 54.58 52.68 1t49 n ASN 40 Cb 0.21 -0.30 0.30 0.00 -0.61 0.00 0.00 39.78 39.38 1t49 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1t49 h LYS 41 N 4.43 0.82 -0.00 3.52 3.64 -1.51 0.26 116.57 127.74 1t49 h LYS 41 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1t49 h LYS 41 Cb 0.99 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1t49 h LYS 41 CO 0.00 0.54 -0.07 0.27 -2.27 0.00 0.00 179.45 177.93 1t49 n ASN 42 N -4.66 0.33 -0.45 4.20 6.94 -1.26 -3.40 115.26 116.95 1t49 n ASN 42 Ca 0.21 -0.54 0.12 0.00 -0.02 0.00 0.00 54.58 54.35 1t49 n ASN 42 Cb 0.47 -0.12 0.23 0.00 -2.36 0.00 0.00 39.78 38.00 1t49 n ASN 42 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1t49 n ARG 43 N -1.01 1.25 -4.57 -3.83 1.74 0.08 -4.89 116.66 105.43 1t49 n ARG 43 Ca 0.16 -0.90 -0.34 0.00 -0.77 0.00 0.00 57.85 56.00 1t49 n ARG 43 Cb 0.25 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.10 1t49 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1t49 s ASN 44 N -2.37 4.68 -0.09 0.55 0.01 -1.20 -4.44 114.94 112.09 1t49 s ASN 44 Ca 0.24 -0.05 -0.15 0.00 -0.71 0.00 0.00 52.86 52.19 1t49 s ASN 44 Cb 0.19 -1.35 -0.28 0.00 0.41 0.00 0.00 41.25 40.22 1t49 s ASN 44 CO 0.49 0.31 0.60 -0.09 -1.51 0.00 0.00 177.10 176.91 1t49 h ARG 45 N 5.63 0.28 -4.99 -0.60 2.43 -1.89 -3.46 114.38 111.79 1t49 h ARG 45 Ca -0.44 -0.48 -0.61 0.00 -0.81 0.00 0.00 59.98 57.65 1t49 h ARG 45 Cb 1.18 0.18 -0.33 0.00 -0.42 0.00 0.00 29.97 30.58 1t49 h ARG 45 CO 0.55 1.23 -0.85 0.71 -1.51 0.00 0.00 179.97 180.10 1t49 s TYR 46 N -2.49 2.07 0.41 2.20 2.02 -1.26 -5.02 117.35 115.27 1t49 s TYR 46 Ca -0.19 -0.82 0.08 0.00 -0.37 0.00 0.00 57.07 55.77 1t49 s TYR 46 Cb 0.04 -1.43 0.86 0.00 -0.40 0.00 0.00 41.96 41.03 1t49 s TYR 46 CO 0.79 -0.36 2.04 -0.09 -1.57 0.00 0.00 175.55 176.36 1t49 h ARG 47 N 6.82 0.56 -0.43 -0.62 2.43 -1.99 -2.64 114.38 118.51 1t49 h ARG 47 Ca -0.24 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1t49 h ARG 47 Cb 1.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1t49 h ARG 47 CO 0.47 0.37 0.00 -0.40 -1.51 0.00 0.00 179.97 178.90 1t49 n ASP 48 N -4.47 2.63 -3.83 -3.80 5.75 -1.26 -4.70 116.55 106.87 1t49 n ASP 48 Ca 0.05 -1.95 -0.30 0.00 -0.01 0.00 0.00 54.79 52.58 1t49 n ASP 48 Cb 0.11 -0.29 -0.15 0.00 -1.03 0.00 0.00 41.12 39.77 1t49 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1t49 s VAL 49 N -1.43 1.50 0.10 2.12 1.01 -1.00 -5.03 120.40 117.67 1t49 s VAL 49 Ca 0.34 -2.02 0.06 0.00 0.00 0.00 0.00 61.98 60.36 1t49 s VAL 49 Cb 0.18 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1t49 s VAL 49 CO 0.25 -0.70 -0.15 -0.44 0.00 0.00 0.00 175.10 174.05 1t49 s SER 50 N 1.05 1.91 0.27 3.32 0.01 -1.26 -4.63 113.70 114.36 1t49 s SER 50 Ca 0.12 -0.71 -0.29 0.00 1.31 0.00 0.00 55.95 56.39 1t49 s SER 50 Cb -0.20 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 65.87 1t49 s SER 50 CO -0.14 -0.09 0.98 -2.16 0.41 0.00 0.00 173.24 172.25 1t49 s PRO 51 N -2.15 4.73 0.53 12.44 0.04 -1.26 -4.54 135.00 144.80 1t49 s PRO 51 Ca 0.04 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 1t49 s PRO 51 Cb -0.08 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 1t49 s PRO 51 CO 0.03 0.38 1.25 -0.06 0.04 0.00 0.00 177.00 178.64 1t49 s PHE 52 N -1.27 2.49 0.25 0.56 0.08 -1.26 -4.56 117.98 114.28 1t49 s PHE 52 Ca 0.44 1.47 -0.06 0.00 0.12 0.00 0.00 56.93 58.90 1t49 s PHE 52 Cb -0.26 -3.58 0.30 0.00 -0.57 0.00 0.00 43.02 38.91 1t49 s PHE 52 CO 0.33 -2.27 1.90 -0.44 -0.10 0.00 0.00 175.22 174.63 1t49 h ASP 53 N 1.46 1.04 0.63 1.36 3.32 -1.10 -2.52 116.42 120.61 1t49 h ASP 53 Ca -0.50 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1t49 h ASP 53 Cb 1.28 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 1t49 h ASP 53 CO 0.57 0.72 -0.38 1.12 -1.72 0.00 0.00 179.24 179.56 1t49 h HIS 54 N 1.21 0.00 -0.20 4.55 2.07 -1.92 -3.18 115.15 117.69 1t49 h HIS 54 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 1t49 h HIS 54 Cb -0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1t49 h HIS 54 CO -0.01 0.38 0.00 -1.13 -3.07 0.00 0.00 177.93 174.10 1t49 n SER 55 N -3.73 2.63 -4.78 3.10 3.41 -1.20 -5.04 113.62 108.01 1t49 n SER 55 Ca -0.01 -2.13 -0.35 0.00 -0.26 0.00 0.00 58.87 56.11 1t49 n SER 55 Cb 0.46 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 1t49 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t49 s ARG 56 N -1.24 3.52 -0.03 4.33 1.70 -0.95 -0.53 118.95 125.75 1t49 s ARG 56 Ca 0.17 1.63 -0.27 0.00 -0.47 0.00 0.00 55.73 56.79 1t49 s ARG 56 Cb 0.10 -2.13 -0.03 0.00 -0.57 0.00 0.00 34.95 32.32 1t49 s ARG 56 CO 0.09 -0.71 0.84 0.42 -1.08 0.00 0.00 175.30 174.85 1t49 s ILE 57 N -1.73 4.95 -0.17 4.99 -1.09 -0.76 -4.78 121.20 122.60 1t49 s ILE 57 Ca 0.70 1.75 -0.08 0.00 -2.23 0.00 0.00 60.65 60.78 1t49 s ILE 57 Cb -0.24 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 1t49 s ILE 57 CO 0.28 0.21 0.11 -0.54 -1.23 0.00 0.00 174.94 173.77 1t49 s LYS 58 N 0.86 3.93 0.41 2.79 1.02 -1.26 -4.26 119.74 123.23 1t49 s LYS 58 Ca 0.45 -0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.95 1t49 s LYS 58 Cb -0.19 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.74 1t49 s LYS 58 CO 0.23 0.41 1.13 -0.51 -0.92 0.00 0.00 175.35 175.69 1t49 s LEU 59 N 0.03 4.14 -0.16 3.17 1.02 -0.25 -4.91 118.68 121.71 1t49 s LEU 59 Ca 0.08 2.24 0.00 0.00 0.02 0.00 0.00 54.13 56.48 1t49 s LEU 59 Cb -0.12 -4.12 0.15 0.00 0.02 0.00 0.00 46.19 42.13 1t49 s LEU 59 CO -0.00 -0.68 1.71 1.41 0.02 0.00 0.00 176.35 178.81 1t49 n HIS 60 N -0.10 0.89 -4.35 0.29 8.25 -1.26 -4.62 115.22 114.33 1t49 n HIS 60 Ca 0.05 -1.29 -0.33 0.00 -0.26 0.00 0.00 57.72 55.89 1t49 n HIS 60 Cb 0.48 -0.64 -0.09 0.00 1.12 0.00 0.00 29.99 30.86 1t49 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1t49 s GLN 61 N -1.01 2.78 0.27 -0.41 -2.07 -1.26 -5.09 119.66 112.87 1t49 s GLN 61 Ca 0.17 -0.59 -0.30 0.00 -1.82 0.00 0.00 55.36 52.83 1t49 s GLN 61 Cb 0.14 -2.66 -0.09 0.00 -1.09 0.00 0.00 33.01 29.31 1t49 s GLN 61 CO 0.01 0.64 1.08 -1.21 -1.32 0.00 0.00 175.29 174.48 1t49 s GLU 62 N -1.37 4.67 0.00 9.60 2.02 -1.26 -4.15 118.70 128.21 1t49 s GLU 62 Ca 0.18 1.76 -0.01 0.00 0.02 0.00 0.00 54.97 56.91 1t49 s GLU 62 Cb -0.11 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1t49 s GLU 62 CO 0.08 0.26 0.02 -0.25 0.02 0.00 0.00 175.26 175.38 1t49 n ASP 63 N 1.26 -8.06 -2.62 -0.19 9.92 -1.26 -4.86 116.55 110.73 1t49 n ASP 63 Ca -0.01 1.61 -0.05 0.00 -0.53 0.00 0.00 54.79 55.80 1t49 n ASP 63 Cb 0.45 -4.71 0.01 0.00 -0.64 0.00 0.00 41.12 36.23 1t49 n ASP 63 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1t49 n ASN 64 N 1.60 -6.78 -1.11 -2.24 2.85 -1.26 -4.94 115.26 103.37 1t49 n ASN 64 Ca -0.03 0.33 0.04 0.00 -0.11 0.00 0.00 54.58 54.81 1t49 n ASN 64 Cb 0.04 -4.54 0.20 0.00 1.24 0.00 0.00 39.78 36.73 1t49 n ASN 64 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1t49 n ASP 65 N -0.61 3.14 -4.70 1.20 5.68 -1.26 -4.82 116.55 115.18 1t49 n ASP 65 Ca 0.08 -2.39 -0.40 0.00 -0.50 0.00 0.00 54.79 51.58 1t49 n ASP 65 Cb 0.40 -0.53 -0.05 0.00 -1.14 0.00 0.00 41.12 39.80 1t49 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1t49 s TYR 66 N -1.82 3.53 0.00 2.11 5.04 -1.26 -1.09 117.35 123.87 1t49 s TYR 66 Ca 0.27 1.21 -0.01 0.00 -2.44 0.00 0.00 57.07 56.10 1t49 s TYR 66 Cb 0.20 -2.83 -0.01 0.00 0.35 0.00 0.00 41.96 39.67 1t49 s TYR 66 CO 0.10 0.01 0.01 -1.50 -1.34 0.00 0.00 175.55 172.83 1t49 s ILE 67 N 1.11 0.04 -1.16 3.14 2.07 -1.26 -4.94 121.20 120.20 1t49 s ILE 67 Ca 0.37 -0.37 -0.21 0.00 -1.41 0.00 0.00 60.65 59.02 1t49 s ILE 67 Cb -0.17 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.27 1t49 s ILE 67 CO 0.16 -0.20 1.77 0.21 -1.91 0.00 0.00 174.94 174.97 1t49 s ASN 68 N -0.60 6.02 -0.11 4.50 3.84 -1.26 -4.67 114.94 122.65 1t49 s ASN 68 Ca -0.07 -1.79 -0.20 0.00 0.21 0.00 0.00 52.86 51.01 1t49 s ASN 68 Cb -0.04 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.13 1t49 s ASN 68 CO -0.00 -2.01 0.50 0.00 -2.79 0.00 0.00 177.10 172.80 1t49 s ALA 69 N 7.15 -1.27 -0.01 1.71 0.00 -1.26 -2.67 121.76 125.42 1t49 s ALA 69 Ca 0.59 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.71 1t49 s ALA 69 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1t49 s ALA 69 CO 0.05 -0.28 -0.14 -1.12 0.00 0.00 0.00 175.76 174.26 1t49 s SER 70 N -0.52 1.69 -0.36 0.00 0.01 0.13 -1.82 113.70 112.83 1t49 s SER 70 Ca -0.06 -0.27 -0.22 0.00 1.31 0.00 0.00 55.95 56.70 1t49 s SER 70 Cb -0.03 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.02 1t49 s SER 70 CO 0.04 0.17 0.73 -0.22 0.41 0.00 0.00 173.24 174.37 1t49 s LEU 71 N -0.39 4.17 -0.39 2.44 2.96 0.31 -1.17 118.68 126.61 1t49 s LEU 71 Ca 0.05 0.30 -0.16 0.00 -0.22 0.00 0.00 54.13 54.10 1t49 s LEU 71 Cb -0.06 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.70 1t49 s LEU 71 CO -0.00 -0.68 0.39 -0.63 -1.32 0.00 0.00 176.35 174.11 1t49 s ILE 72 N 2.96 5.14 -0.38 6.68 1.01 0.11 -4.88 121.20 131.84 1t49 s ILE 72 Ca 0.29 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 1t49 s ILE 72 Cb -0.14 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.45 1t49 s ILE 72 CO 0.16 -0.28 0.17 -0.75 0.00 0.00 0.00 174.94 174.24 1t49 s LYS 73 N 2.03 2.55 -0.71 2.79 2.20 -1.26 -0.73 119.74 126.61 1t49 s LYS 73 Ca 0.11 -1.35 -0.17 0.00 -0.36 0.00 0.00 55.97 54.20 1t49 s LYS 73 Cb -0.17 -3.59 0.15 0.00 -1.51 0.00 0.00 37.83 32.70 1t49 s LYS 73 CO 0.12 -0.82 0.76 -1.64 -0.36 0.00 0.00 175.35 173.42 1t49 s MET 74 N 1.38 3.29 0.11 4.03 -1.94 0.11 -4.94 119.30 121.35 1t49 s MET 74 Ca 0.01 -1.79 -0.29 0.00 -1.71 0.00 0.00 55.69 51.91 1t49 s MET 74 Cb -0.21 -4.43 -0.09 0.00 2.01 0.00 0.00 34.83 32.11 1t49 s MET 74 CO 0.02 -1.47 1.61 1.49 -0.01 0.00 0.00 175.02 176.66 1t49 h GLU 75 N 8.67 -0.55 -0.31 2.03 4.81 -1.96 0.75 114.58 128.02 1t49 h GLU 75 Ca -0.10 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1t49 h GLU 75 Cb 1.07 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1t49 h GLU 75 CO 0.99 -0.37 0.11 1.49 -0.73 0.00 0.00 179.01 180.51 1t49 h GLU 76 N -0.57 0.47 0.00 1.92 4.81 -1.96 -2.67 114.58 116.58 1t49 h GLU 76 Ca 0.03 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1t49 h GLU 76 Cb 0.60 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1t49 h GLU 76 CO -0.19 0.49 0.00 0.00 -0.73 0.00 0.00 179.01 178.58 1t49 h ALA 77 N 0.95 1.00 -5.93 2.92 0.00 -1.91 -3.47 119.26 112.83 1t49 h ALA 77 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.60 1t49 h ALA 77 Cb 0.21 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.10 1t49 h ALA 77 CO -0.01 0.00 -0.71 1.04 0.00 0.00 0.00 179.25 179.58 1t49 n GLN 78 N -2.57 -7.35 -4.53 0.00 1.13 0.22 -4.96 117.38 99.32 1t49 n GLN 78 Ca 0.02 0.78 -0.23 0.00 -1.94 0.00 0.00 57.00 55.63 1t49 n GLN 78 Cb 0.30 -5.79 -0.14 0.00 0.11 0.00 0.00 30.24 24.71 1t49 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1t49 s ARG 79 N -6.30 1.20 0.06 -1.09 3.52 -0.99 -4.90 118.95 110.45 1t49 s ARG 79 Ca 0.55 -0.84 0.07 0.00 -0.13 0.00 0.00 55.73 55.38 1t49 s ARG 79 Cb -0.25 -1.26 -0.03 0.00 -1.56 0.00 0.00 34.95 31.85 1t49 s ARG 79 CO 0.75 0.32 -0.19 -1.12 -0.81 0.00 0.00 175.30 174.26 1t49 s SER 80 N -1.11 2.24 0.02 -2.12 0.01 -1.26 -0.71 113.70 110.78 1t49 s SER 80 Ca 0.05 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.76 1t49 s SER 80 Cb -0.08 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1t49 s SER 80 CO 0.01 0.08 -0.05 -0.31 0.41 0.00 0.00 173.24 173.38 1t49 s TYR 81 N -0.96 0.43 -0.34 2.43 1.51 0.09 -4.08 117.35 116.43 1t49 s TYR 81 Ca 0.05 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.65 1t49 s TYR 81 Cb -0.09 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.51 1t49 s TYR 81 CO 0.02 -0.09 0.17 0.42 -1.11 0.00 0.00 175.55 174.96 1t49 s ILE 82 N -0.98 4.45 -0.13 2.71 1.01 0.10 0.08 121.20 128.43 1t49 s ILE 82 Ca -0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 1t49 s ILE 82 Cb -0.07 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1t49 s ILE 82 CO -0.00 -0.11 0.32 -0.76 0.00 0.00 0.00 174.94 174.39 1t49 s LEU 83 N 1.55 4.29 0.13 2.97 1.43 -0.31 -0.54 118.68 128.20 1t49 s LEU 83 Ca 0.02 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1t49 s LEU 83 Cb -0.18 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1t49 s LEU 83 CO 0.06 0.15 0.07 0.28 0.23 0.00 0.00 176.35 177.13 1t49 s THR 84 N 0.14 0.10 0.69 5.49 -1.32 -0.21 -0.69 115.64 119.84 1t49 s THR 84 Ca 0.18 -1.88 -0.11 0.00 -1.21 0.00 0.00 61.69 58.67 1t49 s THR 84 Cb -0.14 -2.04 0.00 0.00 -1.51 0.00 0.00 72.50 68.82 1t49 s THR 84 CO 0.06 -0.45 1.07 0.00 -2.21 0.00 0.00 174.62 173.09 1t49 s GLN 85 N -4.05 2.99 0.22 7.08 -2.07 -1.09 -3.63 119.66 119.11 1t49 s GLN 85 Ca 0.24 0.64 -0.31 0.00 -1.82 0.00 0.00 55.36 54.12 1t49 s GLN 85 Cb 0.07 -2.02 -0.10 0.00 -1.09 0.00 0.00 33.01 29.87 1t49 s GLN 85 CO 0.02 -0.98 1.50 0.20 -1.32 0.00 0.00 175.29 174.71 1t49 s GLY 86 N -4.16 2.00 0.48 2.60 0.00 -0.35 -4.87 107.32 103.02 1t49 s GLY 86 Ca 0.58 1.36 -0.22 0.00 0.00 0.00 0.00 44.72 46.44 1t49 s GLY 86 CO 0.53 2.44 0.91 -1.05 0.00 0.00 0.00 173.10 175.94 1t49 n PRO 87 N 2.98 1.10 -3.45 2.90 -0.02 -1.26 -4.76 135.00 132.48 1t49 n PRO 87 Ca 0.10 0.40 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 1t49 n PRO 87 Cb 0.39 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.87 1t49 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1t49 s LEU 88 N -0.60 3.98 0.40 2.45 1.43 -1.26 -0.85 118.68 124.22 1t49 s LEU 88 Ca 0.67 0.08 0.17 0.00 -1.03 0.00 0.00 54.13 54.02 1t49 s LEU 88 Cb -0.51 -2.96 1.06 0.00 0.03 0.00 0.00 46.19 43.81 1t49 s LEU 88 CO 0.54 -0.40 1.82 -0.65 0.23 0.00 0.00 176.35 177.90 1t49 h PRO 89 N 0.81 0.42 -0.06 1.29 0.11 -1.96 -0.11 132.00 132.50 1t49 h PRO 89 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1t49 h PRO 89 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1t49 h PRO 89 CO 0.57 0.28 0.00 0.09 -0.21 0.00 0.00 178.00 178.73 1t49 n ASN 90 N -4.56 2.41 -0.28 -2.05 3.02 -1.26 -4.37 115.26 108.18 1t49 n ASN 90 Ca 0.21 -1.80 0.05 0.00 -0.03 0.00 0.00 54.58 53.01 1t49 n ASN 90 Cb 0.75 -0.03 0.11 0.00 -0.61 0.00 0.00 39.78 40.00 1t49 n ASN 90 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1t49 n THR 91 N 0.88 1.44 -0.10 3.41 -2.24 -0.07 -4.68 114.28 112.92 1t49 n THR 91 Ca 0.16 -1.49 -0.06 0.00 -2.27 0.00 0.00 64.05 60.40 1t49 n THR 91 Cb 0.50 0.18 0.13 0.00 -2.10 0.00 0.00 70.33 69.03 1t49 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t49 h GLY 93 N 0.98 0.93 1.01 0.00 0.00 -1.91 -2.14 103.07 101.92 1t49 h GLY 93 Ca 0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1t49 h GLY 93 CO 0.03 0.59 0.45 0.45 0.00 0.00 0.00 176.54 178.06 1t49 h HIS 94 N 0.73 0.96 -0.25 5.60 3.86 -1.81 -0.42 115.15 123.82 1t49 h HIS 94 Ca 0.15 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1t49 h HIS 94 Cb 0.43 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1t49 h HIS 94 CO 0.03 0.64 0.08 0.35 0.86 0.00 0.00 177.93 179.89 1t49 h PHE 95 N 1.00 0.14 0.00 2.45 3.57 -0.89 -0.72 116.94 122.49 1t49 h PHE 95 Ca 0.26 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 1t49 h PHE 95 Cb -0.04 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1t49 h PHE 95 CO -0.01 0.06 -0.62 -1.49 -2.23 0.00 0.00 178.31 174.02 1t49 h TRP 96 N 0.19 0.00 -0.72 0.41 4.06 -1.15 -2.06 115.95 116.68 1t49 h TRP 96 Ca 0.11 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.06 1t49 h TRP 96 Cb 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 1t49 h TRP 96 CO -0.13 0.62 0.45 1.49 -3.56 0.00 0.00 178.44 177.31 1t49 h GLU 97 N 0.00 0.96 -0.40 0.49 4.81 -0.67 0.48 114.58 120.26 1t49 h GLU 97 Ca -0.01 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1t49 h GLU 97 Cb 1.20 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1t49 h GLU 97 CO 0.08 0.67 0.10 1.98 -0.73 0.00 0.00 179.01 181.11 1t49 h MET 98 N 0.98 0.63 -0.58 1.92 4.05 -0.90 0.36 114.93 121.39 1t49 h MET 98 Ca 0.26 -0.15 0.03 0.00 -0.28 0.00 0.00 59.70 59.56 1t49 h MET 98 Cb -0.06 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 1t49 h MET 98 CO -0.05 0.65 0.34 0.28 0.23 0.00 0.00 176.91 178.36 1t49 h VAL 99 N 0.50 1.04 0.16 -5.77 2.07 -0.99 0.14 116.25 113.39 1t49 h VAL 99 Ca 0.13 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1t49 h VAL 99 Cb 0.30 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1t49 h VAL 99 CO 0.00 0.12 -0.08 -0.25 0.02 0.00 0.00 177.57 177.39 1t49 h TRP 100 N 0.66 -0.20 -0.17 1.57 2.91 -0.51 -2.44 115.95 117.77 1t49 h TRP 100 Ca 0.24 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 60.16 1t49 h TRP 100 Cb 0.06 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 1t49 h TRP 100 CO -0.07 0.03 -0.31 0.93 -1.03 0.00 0.00 178.44 178.00 1t49 h GLU 101 N -0.40 0.34 -0.00 2.65 5.08 -0.03 -2.45 114.58 119.76 1t49 h GLU 101 Ca -0.02 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1t49 h GLU 101 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1t49 h GLU 101 CO 0.04 0.61 -0.09 1.04 -1.00 0.00 0.00 179.01 179.60 1t49 n GLN 102 N -4.10 0.77 -2.22 2.33 1.13 0.45 -4.92 117.38 110.82 1t49 n GLN 102 Ca -0.01 -0.26 -0.15 0.00 -1.94 0.00 0.00 57.00 54.64 1t49 n GLN 102 Cb 0.42 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.26 1t49 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1t49 n LYS 103 N -0.88 -1.15 -2.10 -1.09 5.02 -0.92 -4.12 118.16 112.91 1t49 n LYS 103 Ca 0.15 0.73 -0.37 0.00 -2.02 0.00 0.00 58.31 56.80 1t49 n LYS 103 Cb 0.27 -5.02 0.01 0.00 -0.02 0.00 0.00 35.03 30.27 1t49 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1t49 s SER 104 N -2.37 5.78 -0.20 4.39 0.01 -0.99 -0.80 113.70 119.51 1t49 s SER 104 Ca 0.00 2.43 0.13 0.00 1.31 0.00 0.00 55.95 59.82 1t49 s SER 104 Cb 0.00 -2.61 -0.22 0.00 0.21 0.00 0.00 66.02 63.40 1t49 s SER 104 CO 0.00 -1.20 -0.01 -1.14 0.41 0.00 0.00 173.24 171.31 1t49 n ARG 105 N -0.82 0.81 -4.21 12.44 3.00 -1.26 -4.85 116.66 121.76 1t49 n ARG 105 Ca 0.09 0.03 -0.19 0.00 -0.00 0.00 0.00 57.85 57.78 1t49 n ARG 105 Cb 0.48 -1.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.33 1t49 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1t49 s GLY 106 N -5.62 1.00 -0.11 5.14 0.00 -1.26 -0.73 107.32 105.75 1t49 s GLY 106 Ca -0.16 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.47 1t49 s GLY 106 CO 0.73 -1.16 -0.21 0.14 0.00 0.00 0.00 173.10 172.60 1t49 s VAL 107 N -1.48 1.85 -0.27 1.40 1.01 0.59 -1.64 120.40 121.87 1t49 s VAL 107 Ca 0.03 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1t49 s VAL 107 Cb -0.09 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1t49 s VAL 107 CO 0.03 0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 174.94 1t49 s VAL 108 N 0.61 3.24 -0.21 2.92 1.01 0.23 -0.09 120.40 128.11 1t49 s VAL 108 Ca -0.13 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 1t49 s VAL 108 Cb -0.17 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1t49 s VAL 108 CO 0.04 0.14 -0.06 -0.32 0.00 0.00 0.00 175.10 174.89 1t49 s MET 109 N 1.38 3.35 -0.17 2.72 0.00 0.75 -1.35 119.30 125.97 1t49 s MET 109 Ca 0.00 -0.64 0.16 0.00 0.00 0.00 0.00 55.69 55.21 1t49 s MET 109 Cb -0.17 -2.95 0.58 0.00 0.00 0.00 0.00 34.83 32.29 1t49 s MET 109 CO -0.02 -0.16 1.48 1.28 0.00 0.00 0.00 175.02 177.60 1t49 n LEU 110 N 4.67 4.20 -4.21 4.11 4.77 -0.55 -0.40 117.00 129.59 1t49 n LEU 110 Ca -0.18 -2.89 -0.12 0.00 -0.03 0.00 0.00 56.01 52.78 1t49 n LEU 110 Cb 0.51 -0.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 1t49 n LEU 110 CO 0.29 0.68 -0.32 0.54 -1.33 0.00 0.00 177.39 177.25 1t49 s ASN 111 N -1.60 0.89 0.27 -1.43 2.20 -1.25 -4.80 114.94 109.22 1t49 s ASN 111 Ca 0.43 -1.18 -0.03 0.00 -0.94 0.00 0.00 52.86 51.14 1t49 s ASN 111 Cb 0.34 0.18 -0.05 0.00 -2.00 0.00 0.00 41.25 39.72 1t49 s ASN 111 CO 0.11 -0.62 0.51 -0.13 -2.94 0.00 0.00 177.10 174.03 1t49 s ARG 112 N -3.96 3.58 0.27 3.55 0.52 -1.26 -4.85 118.95 116.80 1t49 s ARG 112 Ca 0.24 -0.14 -0.04 0.00 -0.52 0.00 0.00 55.73 55.27 1t49 s ARG 112 Cb 0.07 -2.70 0.35 0.00 0.52 0.00 0.00 34.95 33.19 1t49 s ARG 112 CO 0.03 0.26 1.95 0.28 0.02 0.00 0.00 175.30 177.83 1t49 h VAL 113 N 1.32 1.24 -3.27 3.52 2.07 -1.95 -3.39 116.25 115.78 1t49 h VAL 113 Ca -0.48 -0.43 -0.68 0.00 0.82 0.00 0.00 66.70 65.94 1t49 h VAL 113 Cb 1.19 -0.12 -0.33 0.00 -1.52 0.00 0.00 31.29 30.51 1t49 h VAL 113 CO 0.66 0.23 -0.87 -0.32 0.02 0.00 0.00 177.57 177.28 1t49 s MET 114 N -6.02 3.04 0.02 1.57 -2.45 -1.26 0.15 119.30 114.35 1t49 s MET 114 Ca -0.12 -0.86 0.02 0.00 -1.25 0.00 0.00 55.69 53.47 1t49 s MET 114 Cb 0.18 -2.37 -0.01 0.00 1.25 0.00 0.00 34.83 33.87 1t49 s MET 114 CO 0.81 0.09 -0.06 -1.21 1.05 0.00 0.00 175.02 175.69 1t49 s GLU 115 N 0.57 0.44 -1.29 4.11 2.02 -0.56 -4.80 118.70 119.19 1t49 s GLU 115 Ca -0.13 -0.49 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 1t49 s GLU 115 Cb -0.17 -0.29 0.03 0.00 0.10 0.00 0.00 34.13 33.80 1t49 s GLU 115 CO 0.04 0.06 0.31 1.63 0.02 0.00 0.00 175.26 177.32 1t49 n LYS 116 N 2.13 -3.18 -0.98 1.61 5.02 -1.26 -1.32 118.16 120.18 1t49 n LYS 116 Ca -0.18 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1t49 n LYS 116 Cb 0.56 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 1t49 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t49 n GLY 117 N -1.10 0.26 3.31 0.72 0.00 -1.26 -4.99 105.19 102.13 1t49 n GLY 117 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1t49 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t49 s SER 118 N -2.03 2.64 -0.01 1.61 0.01 -0.43 -5.11 113.70 110.38 1t49 s SER 118 Ca 0.00 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.17 1t49 s SER 118 Cb 0.00 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1t49 s SER 118 CO 0.00 0.01 1.22 -0.76 0.41 0.00 0.00 173.24 174.12 1t49 s LEU 119 N -2.33 4.32 -0.03 2.44 1.43 -1.26 -1.49 118.68 121.75 1t49 s LEU 119 Ca 0.12 1.92 0.20 0.00 -1.03 0.00 0.00 54.13 55.33 1t49 s LEU 119 Cb -0.08 -3.57 -0.30 0.00 0.03 0.00 0.00 46.19 42.28 1t49 s LEU 119 CO 0.06 -0.56 0.43 0.29 0.23 0.00 0.00 176.35 176.80 1t49 n LYS 120 N 4.77 0.59 -3.63 1.70 4.76 0.12 -4.95 118.16 121.53 1t49 n LYS 120 Ca 0.10 -0.17 -0.04 0.00 -2.87 0.00 0.00 58.31 55.33 1t49 n LYS 120 Cb 0.46 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 32.17 1t49 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1t49 s ALA 122 N -2.96 2.57 -1.04 0.00 0.00 -0.03 -4.85 121.76 115.45 1t49 s ALA 122 Ca 0.10 0.41 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 1t49 s ALA 122 Cb -0.00 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.89 1t49 s ALA 122 CO -0.03 -1.14 1.55 -1.14 0.00 0.00 0.00 175.76 174.99 1t49 s GLN 123 N -4.27 3.50 0.00 0.00 2.00 -1.26 -4.80 119.66 114.83 1t49 s GLN 123 Ca 0.64 -1.13 0.27 0.00 -2.00 0.00 0.00 55.36 53.14 1t49 s GLN 123 Cb -0.18 -5.35 0.86 0.00 0.80 0.00 0.00 33.01 29.15 1t49 s GLN 123 CO 0.43 -2.38 1.63 2.48 -0.50 0.00 0.00 175.29 176.96 1t49 n TYR 124 N 9.49 0.00 -4.28 1.67 0.18 -1.26 -4.88 117.16 118.08 1t49 n TYR 124 Ca 0.36 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.97 1t49 n TYR 124 Cb 0.50 -0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 39.34 1t49 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1t49 s TRP 125 N -2.07 1.44 0.22 -3.48 -2.14 -1.26 -5.07 118.94 106.58 1t49 s TRP 125 Ca 0.34 -0.64 -0.30 0.00 2.66 0.00 0.00 56.10 58.16 1t49 s TRP 125 Cb 0.21 -0.71 -0.08 0.00 -3.10 0.00 0.00 33.47 29.78 1t49 s TRP 125 CO 0.36 0.19 1.15 -2.14 -2.66 0.00 0.00 176.95 173.84 1t49 s PRO 126 N -3.40 4.55 0.05 3.25 0.02 -1.26 -4.95 135.00 133.26 1t49 s PRO 126 Ca 0.16 1.84 0.24 0.00 0.02 0.00 0.00 61.00 63.25 1t49 s PRO 126 Cb -0.01 -3.23 0.22 0.00 0.02 0.00 0.00 34.50 31.51 1t49 s PRO 126 CO 0.03 0.03 1.19 1.04 -0.33 0.00 0.00 177.00 178.96 1t49 n GLN 127 N 2.01 0.21 -4.32 5.54 6.02 -1.26 -4.67 117.38 120.91 1t49 n GLN 127 Ca 0.02 0.02 -0.19 0.00 -0.01 0.00 0.00 57.00 56.84 1t49 n GLN 127 Cb 0.45 -1.59 -0.15 0.00 1.02 0.00 0.00 30.24 29.96 1t49 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1t49 s LYS 128 N -3.13 0.79 0.22 -1.09 1.02 -1.26 -5.05 119.74 111.23 1t49 s LYS 128 Ca 0.06 -0.26 -0.09 0.00 0.02 0.00 0.00 55.97 55.70 1t49 s LYS 128 Cb 0.15 -0.76 0.32 0.00 -0.52 0.00 0.00 37.83 37.02 1t49 s LYS 128 CO 0.76 0.11 1.70 0.93 -0.92 0.00 0.00 175.35 177.92 1t49 h GLU 129 N 6.31 0.23 0.00 1.68 3.07 -1.90 -1.93 114.58 122.04 1t49 h GLU 129 Ca -0.32 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1t49 h GLU 129 Cb 1.17 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1t49 h GLU 129 CO 0.49 0.15 0.00 -0.85 -1.40 0.00 0.00 179.01 177.40 1t49 n GLU 130 N -5.16 0.66 -3.64 2.33 0.00 -1.26 -4.19 120.64 109.38 1t49 n GLU 130 Ca 0.10 0.02 -0.27 0.00 0.00 0.00 0.00 57.16 57.00 1t49 n GLU 130 Cb 0.35 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.19 1t49 n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1t49 n LYS 131 N -1.09 1.85 -1.23 3.44 4.76 -0.73 -5.10 118.16 120.07 1t49 n LYS 131 Ca 0.17 -4.35 -0.30 0.00 -2.87 0.00 0.00 58.31 50.96 1t49 n LYS 131 Cb 0.12 -2.15 0.13 0.00 -1.84 0.00 0.00 35.03 31.29 1t49 n LYS 131 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1t49 s GLU 132 N -1.66 1.45 -0.07 1.97 1.03 -1.26 -4.65 118.70 115.50 1t49 s GLU 132 Ca 0.32 0.86 0.02 0.00 0.03 0.00 0.00 54.97 56.20 1t49 s GLU 132 Cb 0.05 -1.83 -0.03 0.00 -0.80 0.00 0.00 34.13 31.52 1t49 s GLU 132 CO -0.11 -2.12 -0.11 -1.64 -1.33 0.00 0.00 175.26 169.95 1t49 s MET 133 N -4.94 2.73 -0.11 -4.83 -1.94 -0.12 -4.98 119.30 105.10 1t49 s MET 133 Ca 0.63 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 54.01 1t49 s MET 133 Cb -0.18 -2.50 0.00 0.00 2.01 0.00 0.00 34.83 34.16 1t49 s MET 133 CO 0.57 0.58 -0.22 0.42 -0.01 0.00 0.00 175.02 176.35 1t49 s ILE 134 N -0.61 2.15 -0.61 2.53 1.01 -1.26 -0.68 121.20 123.73 1t49 s ILE 134 Ca 0.09 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 1t49 s ILE 134 Cb -0.11 -1.84 0.16 0.00 0.01 0.00 0.00 42.46 40.68 1t49 s ILE 134 CO 0.01 0.55 0.53 -0.36 0.00 0.00 0.00 174.94 175.68 1t49 s PHE 135 N 0.46 3.46 0.24 3.97 0.08 0.08 -4.95 117.98 121.31 1t49 s PHE 135 Ca -0.15 -1.78 -0.06 0.00 0.12 0.00 0.00 56.93 55.06 1t49 s PHE 135 Cb -0.17 -3.68 0.22 0.00 -0.57 0.00 0.00 43.02 38.82 1t49 s PHE 135 CO 0.06 -0.99 1.86 0.93 -0.10 0.00 0.00 175.22 176.98 1t49 h GLU 136 N 8.28 1.24 -0.63 0.44 5.08 -1.97 -0.00 114.58 127.03 1t49 h GLU 136 Ca -0.13 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1t49 h GLU 136 Cb 1.06 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1t49 h GLU 136 CO 0.88 0.91 0.41 0.38 -1.00 0.00 0.00 179.01 180.60 1t49 h ASP 137 N 1.25 0.71 -0.27 1.42 2.03 -1.98 -2.89 116.42 116.70 1t49 h ASP 137 Ca 0.31 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1t49 h ASP 137 Cb 0.04 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 1t49 h ASP 137 CO -0.05 0.52 0.00 0.35 -1.03 0.00 0.00 179.24 179.03 1t49 n THR 138 N -4.44 0.67 -3.61 1.15 -2.24 -1.07 -5.01 114.28 99.73 1t49 n THR 138 Ca 0.06 -0.84 -0.23 0.00 -2.27 0.00 0.00 64.05 60.77 1t49 n THR 138 Cb 0.05 0.75 0.04 0.00 -2.10 0.00 0.00 70.33 69.07 1t49 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1t49 n ASN 139 N 0.66 -3.59 -4.08 3.42 5.15 -0.04 -4.91 115.26 111.87 1t49 n ASN 139 Ca 0.11 -0.87 -0.21 0.00 -0.60 0.00 0.00 54.58 53.01 1t49 n ASN 139 Cb 0.40 -4.05 -0.15 0.00 -0.53 0.00 0.00 39.78 35.45 1t49 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1t49 s LEU 140 N -6.36 2.02 -0.07 1.20 1.43 -1.05 -1.67 118.68 114.18 1t49 s LEU 140 Ca 0.25 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1t49 s LEU 140 Cb -0.07 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 1t49 s LEU 140 CO 0.82 0.15 -0.06 -0.75 0.23 0.00 0.00 176.35 176.73 1t49 s LYS 141 N -0.28 2.77 -0.10 1.70 2.20 0.29 -0.74 119.74 125.58 1t49 s LYS 141 Ca 0.05 -0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1t49 s LYS 141 Cb -0.05 -2.61 0.03 0.00 -1.51 0.00 0.00 37.83 33.69 1t49 s LYS 141 CO -0.00 0.67 -0.05 -1.17 -0.36 0.00 0.00 175.35 174.43 1t49 s LEU 142 N -0.83 1.02 -0.08 5.43 2.96 0.15 0.02 118.68 127.35 1t49 s LEU 142 Ca 0.13 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1t49 s LEU 142 Cb -0.11 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.87 1t49 s LEU 142 CO 0.02 -0.13 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.81 1t49 s THR 143 N 1.73 1.83 -0.10 3.68 2.01 -0.42 -0.94 115.64 123.43 1t49 s THR 143 Ca 0.04 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1t49 s THR 143 Cb -0.13 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1t49 s THR 143 CO -0.07 0.51 1.32 -0.22 -0.69 0.00 0.00 174.62 175.48 1t49 s LEU 144 N 0.29 4.24 -0.23 4.42 2.96 -1.26 -0.49 118.68 128.60 1t49 s LEU 144 Ca -0.14 1.86 -0.01 0.00 -0.22 0.00 0.00 54.13 55.61 1t49 s LEU 144 Cb -0.16 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.80 1t49 s LEU 144 CO 0.07 -0.74 -0.12 -0.38 -1.32 0.00 0.00 176.35 173.86 1t49 n ILE 145 N 5.10 1.55 -3.57 6.68 2.08 0.81 -4.35 119.36 127.66 1t49 n ILE 145 Ca 0.14 -0.56 -0.09 0.00 0.56 0.00 0.00 62.75 62.79 1t49 n ILE 145 Cb 0.45 -1.52 -0.02 0.00 -0.75 0.00 0.00 39.64 37.79 1t49 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1t49 s SER 146 N -6.70 -0.40 -0.06 4.38 1.04 -1.01 -4.96 113.70 105.99 1t49 s SER 146 Ca -0.33 -0.17 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 1t49 s SER 146 Cb 0.09 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1t49 s SER 146 CO 0.63 -0.93 0.16 -0.70 0.98 0.00 0.00 173.24 173.37 1t49 s GLU 147 N -3.53 0.14 -0.37 4.02 2.12 -1.26 -1.22 118.70 118.60 1t49 s GLU 147 Ca 0.06 0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.72 1t49 s GLU 147 Cb -0.02 -0.07 0.11 0.00 0.26 0.00 0.00 34.13 34.42 1t49 s GLU 147 CO -0.06 -0.10 0.13 0.34 -0.54 0.00 0.00 175.26 175.03 1t49 s ASP 148 N 0.73 4.17 -0.23 -1.70 2.15 0.50 -5.00 116.67 117.28 1t49 s ASP 148 Ca -0.05 -2.14 -0.27 0.00 0.43 0.00 0.00 52.55 50.51 1t49 s ASP 148 Cb -0.07 -1.18 0.00 0.00 -0.30 0.00 0.00 42.92 41.37 1t49 s ASP 148 CO -0.04 -0.35 0.96 -0.63 -0.17 0.00 0.00 175.17 174.94 1t49 s ILE 149 N 0.95 4.74 0.43 4.11 1.01 -1.26 -1.78 121.20 129.41 1t49 s ILE 149 Ca 0.13 1.86 0.02 0.00 0.00 0.00 0.00 60.65 62.66 1t49 s ILE 149 Cb -0.20 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.05 1t49 s ILE 149 CO -0.12 -0.14 0.16 0.29 0.00 0.00 0.00 174.94 175.13 1t49 n LYS 150 N 6.17 0.91 0.17 2.79 4.76 0.54 -5.00 118.16 128.51 1t49 n LYS 150 Ca 0.10 -2.92 -0.14 0.00 -2.87 0.00 0.00 58.31 52.47 1t49 n LYS 150 Cb 0.47 0.57 -0.07 0.00 -1.84 0.00 0.00 35.03 34.16 1t49 n LYS 150 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1t49 h SER 151 N 0.78 -0.72 -0.00 4.39 0.02 -2.03 -3.31 113.55 112.69 1t49 h SER 151 Ca -0.32 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1t49 h SER 151 Cb 1.04 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1t49 h SER 151 CO 0.51 -0.38 -0.65 -1.22 -1.14 0.00 0.00 176.83 173.95 1t49 n TYR 152 N -5.39 0.00 -3.76 3.45 4.02 -1.26 -4.93 117.16 109.29 1t49 n TYR 152 Ca -0.08 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.72 1t49 n TYR 152 Cb 0.29 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.58 1t49 n TYR 152 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1t49 s TYR 153 N -2.34 -0.15 -0.05 -0.72 1.13 -1.25 -2.14 117.35 111.83 1t49 s TYR 153 Ca 0.07 -0.21 0.03 0.00 -1.41 0.00 0.00 57.07 55.55 1t49 s TYR 153 Cb 0.12 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.49 1t49 s TYR 153 CO 0.59 -1.02 -0.14 0.99 -2.51 0.00 0.00 175.55 173.45 1t49 s THR 154 N -3.89 1.21 -0.13 -3.49 2.01 -0.27 -0.34 115.64 110.75 1t49 s THR 154 Ca 0.10 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1t49 s THR 154 Cb -0.03 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1t49 s THR 154 CO 0.00 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.51 1t49 s VAL 155 N 0.31 3.36 0.03 3.82 1.01 -0.73 -0.69 120.40 127.51 1t49 s VAL 155 Ca -0.08 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1t49 s VAL 155 Cb -0.13 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1t49 s VAL 155 CO 0.03 0.52 -0.23 -0.13 0.00 0.00 0.00 175.10 175.29 1t49 s ARG 156 N 0.25 1.61 -0.23 2.72 0.52 0.36 -0.37 118.95 123.82 1t49 s ARG 156 Ca -0.07 -0.95 -0.10 0.00 -0.52 0.00 0.00 55.73 54.08 1t49 s ARG 156 Cb -0.15 -1.70 -0.05 0.00 0.52 0.00 0.00 34.95 33.57 1t49 s ARG 156 CO 0.04 0.45 0.15 -0.65 0.02 0.00 0.00 175.30 175.31 1t49 s GLN 157 N -1.03 4.11 0.16 3.54 -0.21 -0.35 -0.49 119.66 125.39 1t49 s GLN 157 Ca 0.09 -0.25 0.11 0.00 0.02 0.00 0.00 55.36 55.32 1t49 s GLN 157 Cb -0.09 -3.50 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 1t49 s GLN 157 CO 0.01 0.13 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.56 1t49 s LEU 158 N 0.85 2.39 -0.20 2.90 1.43 0.12 -0.13 118.68 126.04 1t49 s LEU 158 Ca 0.08 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1t49 s LEU 158 Cb -0.13 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1t49 s LEU 158 CO 0.03 0.11 -0.08 -0.70 0.23 0.00 0.00 176.35 175.94 1t49 s GLU 159 N -2.44 3.34 -0.22 1.70 2.12 0.36 -0.80 118.70 122.75 1t49 s GLU 159 Ca 0.17 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 54.77 1t49 s GLU 159 Cb -0.08 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1t49 s GLU 159 CO 0.08 -0.13 0.05 -1.17 -0.54 0.00 0.00 175.26 173.55 1t49 s LEU 160 N 1.27 3.47 -0.12 2.70 2.96 0.20 -1.30 118.68 127.85 1t49 s LEU 160 Ca 0.03 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1t49 s LEU 160 Cb -0.14 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1t49 s LEU 160 CO -0.03 0.03 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.16 1t49 s GLU 161 N 1.19 3.24 -0.63 1.98 2.12 0.10 -0.78 118.70 125.92 1t49 s GLU 161 Ca 0.04 -0.77 -0.25 0.00 0.36 0.00 0.00 54.97 54.35 1t49 s GLU 161 Cb -0.14 -2.50 0.04 0.00 0.26 0.00 0.00 34.13 31.79 1t49 s GLU 161 CO 0.03 0.18 1.07 1.21 -0.54 0.00 0.00 175.26 177.21 1t49 s ASN 162 N 0.39 6.27 0.60 -1.70 3.84 -0.16 -0.55 114.94 123.62 1t49 s ASN 162 Ca -0.14 -0.48 0.34 0.00 0.21 0.00 0.00 52.86 52.80 1t49 s ASN 162 Cb -0.17 -2.48 1.91 0.00 -0.55 0.00 0.00 41.25 39.96 1t49 s ASN 162 CO 0.06 -1.48 2.24 -0.07 -2.79 0.00 0.00 177.10 175.06 1t49 h LEU 163 N 11.75 0.00 -0.44 3.21 3.38 -1.62 0.77 115.31 132.36 1t49 h LEU 163 Ca -0.27 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1t49 h LEU 163 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1t49 h LEU 163 CO 1.18 0.03 -0.31 0.74 0.09 0.00 0.00 178.44 180.16 1t49 h THR 164 N 0.00 1.27 -0.00 0.22 2.02 -1.91 -3.31 112.91 111.20 1t49 h THR 164 Ca -0.00 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.70 1t49 h THR 164 Cb 0.10 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1t49 h THR 164 CO 0.00 0.50 -0.43 0.35 0.37 0.00 0.00 175.52 176.32 1t49 n THR 165 N -4.08 0.00 -1.28 3.16 -2.24 -0.90 -4.98 114.28 103.95 1t49 n THR 165 Ca -0.01 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1t49 n THR 165 Cb 0.51 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 1t49 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t49 n GLN 166 N -1.15 -1.22 -2.46 -0.78 6.02 0.26 -4.98 117.38 113.08 1t49 n GLN 166 Ca 0.02 0.79 -0.38 0.00 -0.01 0.00 0.00 57.00 57.42 1t49 n GLN 166 Cb 0.15 -4.93 -0.04 0.00 1.02 0.00 0.00 30.24 26.45 1t49 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1t49 s GLU 167 N -2.63 4.28 0.09 -1.09 2.12 -1.19 -4.85 118.70 115.43 1t49 s GLU 167 Ca 0.00 1.69 0.06 0.00 0.36 0.00 0.00 54.97 57.08 1t49 s GLU 167 Cb 0.00 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 1t49 s GLU 167 CO 0.00 -0.08 -0.16 0.95 -0.54 0.00 0.00 175.26 175.42 1t49 s THR 168 N -1.44 1.35 0.02 -1.70 -4.23 -1.26 -0.99 115.64 107.38 1t49 s THR 168 Ca 0.54 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1t49 s THR 168 Cb -0.27 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.23 1t49 s THR 168 CO 0.35 -0.21 -0.02 -0.13 -0.54 0.00 0.00 174.62 174.06 1t49 s ARG 169 N -1.97 0.32 -0.18 3.99 0.52 0.04 -4.99 118.95 116.68 1t49 s ARG 169 Ca 0.03 -0.62 -0.19 0.00 -0.52 0.00 0.00 55.73 54.43 1t49 s ARG 169 Cb -0.09 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.46 1t49 s ARG 169 CO 0.03 -0.05 0.54 -2.00 0.02 0.00 0.00 175.30 173.83 1t49 s GLU 170 N -1.51 4.23 -0.09 3.54 2.12 -1.26 -0.63 118.70 125.09 1t49 s GLU 170 Ca -0.15 0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.66 1t49 s GLU 170 Cb -0.10 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1t49 s GLU 170 CO -0.01 -0.11 -0.13 0.42 -0.54 0.00 0.00 175.26 174.89 1t49 s ILE 171 N 1.49 3.10 -0.18 -3.70 -1.09 0.02 -4.86 121.20 115.98 1t49 s ILE 171 Ca 0.26 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.88 1t49 s ILE 171 Cb -0.16 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.42 1t49 s ILE 171 CO 0.10 0.56 0.22 -0.76 -1.23 0.00 0.00 174.94 173.83 1t49 s LEU 172 N -0.17 4.22 -0.34 2.97 1.43 0.10 -0.71 118.68 126.18 1t49 s LEU 172 Ca -0.00 0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1t49 s LEU 172 Cb -0.13 -2.25 0.03 0.00 0.03 0.00 0.00 46.19 43.86 1t49 s LEU 172 CO 0.03 0.13 0.14 -2.28 0.23 0.00 0.00 176.35 174.60 1t49 s HIS 173 N 0.46 3.23 -0.34 0.29 2.46 0.36 -0.30 115.29 121.46 1t49 s HIS 173 Ca 0.13 -1.18 -0.11 0.00 0.47 0.00 0.00 55.06 54.37 1t49 s HIS 173 Cb -0.12 -2.33 0.00 0.00 -0.13 0.00 0.00 32.58 30.00 1t49 s HIS 173 CO 0.02 -0.67 0.20 -0.06 -2.47 0.00 0.00 174.74 171.75 1t49 s PHE 174 N 1.47 3.21 -0.35 3.88 0.08 0.87 -0.49 117.98 126.66 1t49 s PHE 174 Ca 0.00 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.47 1t49 s PHE 174 Cb -0.19 -2.43 0.09 0.00 -0.57 0.00 0.00 43.02 39.93 1t49 s PHE 174 CO 0.04 -0.50 0.08 -1.58 -0.10 0.00 0.00 175.22 173.16 1t49 s HIS 175 N 1.63 3.61 -0.26 0.36 5.65 0.13 -0.18 115.29 126.22 1t49 s HIS 175 Ca 0.04 -2.64 -0.29 0.00 0.25 0.00 0.00 55.06 52.43 1t49 s HIS 175 Cb -0.18 -2.83 0.00 0.00 -1.18 0.00 0.00 32.58 28.40 1t49 s HIS 175 CO 0.08 -0.93 1.17 -0.47 -0.65 0.00 0.00 174.74 173.93 1t49 s TYR 176 N 1.03 3.00 -1.49 3.88 6.14 0.46 -1.11 117.35 129.27 1t49 s TYR 176 Ca 0.06 1.12 0.14 0.00 0.64 0.00 0.00 57.07 59.04 1t49 s TYR 176 Cb -0.20 -3.63 0.26 0.00 0.42 0.00 0.00 41.96 38.81 1t49 s TYR 176 CO -0.06 -1.16 1.16 0.25 0.64 0.00 0.00 175.55 176.37 1t49 n THR 177 N 5.74 0.53 -0.44 4.34 -2.24 -0.91 -3.93 114.28 117.37 1t49 n THR 177 Ca 0.13 -0.76 0.05 0.00 -2.27 0.00 0.00 64.05 61.19 1t49 n THR 177 Cb 0.46 0.88 0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1t49 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t49 n THR 178 N 0.82 1.39 -2.02 4.28 -2.24 -1.23 -4.89 114.28 110.39 1t49 n THR 178 Ca 0.12 -1.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.00 1t49 n THR 178 Cb 0.42 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1t49 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1t49 s TRP 179 N -1.75 3.08 0.55 4.78 -0.11 -1.26 -4.94 118.94 119.29 1t49 s TRP 179 Ca 0.16 0.73 -0.20 0.00 1.22 0.00 0.00 56.10 58.01 1t49 s TRP 179 Cb 0.13 -3.84 -0.05 0.00 -1.50 0.00 0.00 33.47 28.21 1t49 s TRP 179 CO 0.04 -3.06 1.15 -2.14 -4.62 0.00 0.00 176.95 168.32 1t49 s PRO 180 N 1.26 3.28 0.38 5.86 0.02 -1.26 -4.92 135.00 139.61 1t49 s PRO 180 Ca 0.68 1.69 0.06 0.00 0.02 0.00 0.00 61.00 63.45 1t49 s PRO 180 Cb -0.41 -2.01 0.78 0.00 0.02 0.00 0.00 34.50 32.88 1t49 s PRO 180 CO 0.31 -0.93 1.99 -0.44 -0.33 0.00 0.00 177.00 177.60 1t49 h ASP 181 N 1.17 0.61 -4.21 2.53 5.19 -2.00 -3.42 116.42 116.29 1t49 h ASP 181 Ca -0.50 -0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.28 1t49 h ASP 181 Cb 1.27 -0.13 -0.25 0.00 0.18 0.00 0.00 39.33 40.40 1t49 h ASP 181 CO 0.57 0.41 -0.85 -0.36 -3.12 0.00 0.00 179.24 175.88 1t49 s PHE 182 N -5.62 2.02 0.00 4.55 0.40 -1.26 -4.97 117.98 113.10 1t49 s PHE 182 Ca -0.09 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.84 1t49 s PHE 182 Cb 0.19 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.55 1t49 s PHE 182 CO 0.76 0.16 0.00 0.41 0.70 0.00 0.00 175.22 177.25 1t49 n GLY 183 N 1.53 0.81 3.32 4.36 0.00 -1.26 -4.91 105.19 109.05 1t49 n GLY 183 Ca -0.18 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 1t49 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1t49 s VAL 184 N 0.00 0.83 0.44 1.61 -7.23 -1.26 -4.74 120.40 110.05 1t49 s VAL 184 Ca 0.00 -2.01 -0.26 0.00 -1.81 0.00 0.00 61.98 57.90 1t49 s VAL 184 Cb 0.00 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 1t49 s VAL 184 CO 0.00 -0.22 1.42 -2.65 -0.31 0.00 0.00 175.10 173.34 1t49 n PRO 185 N -0.43 2.28 -0.23 4.82 -0.02 -1.26 -4.90 135.00 135.25 1t49 n PRO 185 Ca -0.03 0.81 -0.07 0.00 -2.02 0.00 0.00 63.50 62.18 1t49 n PRO 185 Cb 0.65 -2.61 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1t49 n PRO 185 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1t49 h GLU 186 N 2.36 1.02 -6.36 -0.52 4.81 -2.00 -3.43 114.58 110.46 1t49 h GLU 186 Ca -0.50 -0.22 -0.64 0.00 -0.13 0.00 0.00 59.36 57.86 1t49 h GLU 186 Cb 1.27 -0.15 -0.28 0.00 0.63 0.00 0.00 28.75 30.22 1t49 h GLU 186 CO 0.61 0.89 -0.87 0.45 -0.73 0.00 0.00 179.01 179.37 1t49 s SER 187 N -6.29 2.78 0.00 1.04 0.15 -1.26 -5.02 113.70 105.11 1t49 s SER 187 Ca -0.12 -0.49 0.31 0.00 0.70 0.00 0.00 55.95 56.34 1t49 s SER 187 Cb 0.14 -0.27 1.72 0.00 -1.71 0.00 0.00 66.02 65.89 1t49 s SER 187 CO 0.82 0.25 2.14 -0.81 1.20 0.00 0.00 173.24 176.84 1t49 n PRO 188 N 2.13 0.74 -0.19 5.44 -0.04 -1.26 -4.31 135.00 137.51 1t49 n PRO 188 Ca -0.16 -0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 1t49 n PRO 188 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1t49 n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t49 h ALA 189 N 3.73 -0.21 -0.15 0.55 0.00 -1.97 -0.61 119.26 120.61 1t49 h ALA 189 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1t49 h ALA 189 Cb 0.14 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1t49 h ALA 189 CO 0.00 -0.76 -0.57 0.66 0.00 0.00 0.00 179.25 178.58 1t49 h SER 190 N -0.21 0.52 -0.51 0.00 4.64 -2.00 -2.05 113.55 113.94 1t49 h SER 190 Ca 0.20 -0.28 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 1t49 h SER 190 Cb 0.56 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1t49 h SER 190 CO -0.67 0.98 -0.06 0.15 -0.87 0.00 0.00 176.83 176.36 1t49 h PHE 191 N 0.35 1.07 -0.28 4.77 3.57 -1.71 -0.59 116.94 124.12 1t49 h PHE 191 Ca 0.00 -0.20 -0.09 0.00 3.53 0.00 0.00 57.97 61.22 1t49 h PHE 191 Cb 1.11 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1t49 h PHE 191 CO 0.04 0.98 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.86 1t49 h LEU 192 N 0.89 0.64 -0.33 0.59 3.38 -1.09 0.10 115.31 119.49 1t49 h LEU 192 Ca 0.15 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.75 1t49 h LEU 192 Cb 0.59 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1t49 h LEU 192 CO 0.04 0.93 0.01 -1.13 0.09 0.00 0.00 178.44 178.37 1t49 h ASN 193 N 0.36 -0.12 -0.25 -0.43 -0.73 -1.25 -0.03 115.58 113.13 1t49 h ASN 193 Ca 0.06 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.33 1t49 h ASN 193 Cb 0.70 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.39 1t49 h ASN 193 CO 0.05 -0.02 0.07 0.15 -0.37 0.00 0.00 177.43 177.31 1t49 h PHE 194 N 0.10 0.12 -0.80 0.67 3.57 -0.94 0.02 116.94 119.68 1t49 h PHE 194 Ca 0.16 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.72 1t49 h PHE 194 Cb 0.21 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1t49 h PHE 194 CO -0.23 0.05 0.50 1.25 -2.23 0.00 0.00 178.31 177.65 1t49 h LEU 195 N 0.18 0.79 -0.95 0.59 5.85 -0.35 -0.71 115.31 120.72 1t49 h LEU 195 Ca 0.11 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1t49 h LEU 195 Cb 0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1t49 h LEU 195 CO -0.13 0.53 -0.21 -0.26 -0.34 0.00 0.00 178.44 178.02 1t49 h PHE 196 N 0.93 0.00 -0.41 1.25 -1.00 -0.62 -0.71 116.94 116.38 1t49 h PHE 196 Ca 0.34 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.98 1t49 h PHE 196 Cb 0.11 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1t49 h PHE 196 CO -0.04 0.21 -0.27 0.87 -1.61 0.00 0.00 178.31 177.48 1t49 h LYS 197 N 0.00 0.91 -0.42 1.51 1.79 0.02 -0.75 116.57 119.63 1t49 h LYS 197 Ca -0.00 -0.43 -0.03 0.00 -2.18 0.00 0.00 60.65 58.01 1t49 h LYS 197 Cb 0.81 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1t49 h LYS 197 CO 0.03 1.08 0.13 0.28 -1.08 0.00 0.00 179.45 179.89 1t49 h VAL 198 N 0.73 1.22 0.00 0.50 2.07 -0.61 -2.96 116.25 117.19 1t49 h VAL 198 Ca 0.08 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1t49 h VAL 198 Cb 0.85 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1t49 h VAL 198 CO 0.07 0.26 -0.11 0.03 0.02 0.00 0.00 177.57 177.84 1t49 h ARG 199 N 0.54 -0.19 -1.05 1.57 3.08 -1.04 -2.64 114.38 114.65 1t49 h ARG 199 Ca 0.14 0.01 0.31 0.00 0.07 0.00 0.00 59.98 60.50 1t49 h ARG 199 Cb 0.26 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.22 1t49 h ARG 199 CO -0.00 -0.13 0.63 0.93 -1.07 0.00 0.00 179.97 180.33 1t49 h GLU 200 N -0.19 0.37 0.00 0.04 5.08 -1.06 -1.48 114.58 117.33 1t49 h GLU 200 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1t49 h GLU 200 Cb 0.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1t49 h GLU 200 CO -0.11 0.24 0.00 -1.13 -1.00 0.00 0.00 179.01 177.01 1t49 n SER 201 N -4.88 0.29 0.00 1.42 3.41 -1.00 -4.89 113.62 107.96 1t49 n SER 201 Ca 0.30 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 1t49 n SER 201 Cb 0.96 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1t49 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t49 n GLY 202 N 0.40 1.07 0.30 5.00 0.00 -0.56 -4.94 105.19 106.47 1t49 n GLY 202 Ca 0.04 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.26 1t49 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1t49 h SER 203 N 0.00 0.00 -0.36 1.61 0.02 -1.76 -1.87 113.55 111.19 1t49 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t49 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1t49 h SER 203 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1t49 n LEU 204 N -3.01 3.14 -4.89 5.07 4.77 -1.26 -3.87 117.00 116.95 1t49 n LEU 204 Ca -0.01 -1.61 -0.30 0.00 -0.03 0.00 0.00 56.01 54.06 1t49 n LEU 204 Cb 0.16 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1t49 n LEU 204 CO 0.22 0.71 0.30 -0.44 -1.33 0.00 0.00 177.39 176.85 1t49 s SER 205 N -1.20 6.50 0.65 -1.43 0.01 -0.71 -4.85 113.70 112.67 1t49 s SER 205 Ca 0.32 0.90 0.40 0.00 1.31 0.00 0.00 55.95 58.88 1t49 s SER 205 Cb 0.18 -2.22 2.24 0.00 0.21 0.00 0.00 66.02 66.43 1t49 s SER 205 CO 0.25 -0.25 2.33 -0.65 0.41 0.00 0.00 173.24 175.33 1t49 h PRO 206 N 1.64 0.00 0.00 12.44 0.11 -1.90 -1.41 132.00 142.88 1t49 h PRO 206 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t49 h PRO 206 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1t49 h PRO 206 CO 0.66 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.60 1t49 n GLU 207 N -3.31 0.31 -4.53 1.05 0.00 -1.26 -4.79 120.64 108.12 1t49 n GLU 207 Ca -0.03 0.05 -0.25 0.00 0.00 0.00 0.00 57.16 56.93 1t49 n GLU 207 Cb 0.08 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 29.92 1t49 n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1t49 s HIS 208 N -2.63 2.34 1.11 -1.84 3.76 -0.53 -5.11 115.29 112.39 1t49 s HIS 208 Ca 0.22 -0.51 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 1t49 s HIS 208 Cb 0.17 -1.32 0.25 0.00 1.11 0.00 0.00 32.58 32.79 1t49 s HIS 208 CO 0.39 0.56 1.05 0.20 -0.85 0.00 0.00 174.74 176.10 1t49 s GLY 209 N -3.58 1.55 0.37 -2.22 0.00 0.02 -4.86 107.32 98.59 1t49 s GLY 209 Ca 0.32 -0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.51 1t49 s GLY 209 CO 0.16 0.44 1.40 -4.14 0.00 0.00 0.00 173.10 170.95 1t49 s PRO 210 N -4.66 4.16 0.52 2.90 0.02 -1.26 -4.31 135.00 132.37 1t49 s PRO 210 Ca 0.67 2.39 -0.22 0.00 0.02 0.00 0.00 61.00 63.86 1t49 s PRO 210 Cb -0.22 -2.96 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 1t49 s PRO 210 CO 0.62 -0.42 1.34 1.55 -0.33 0.00 0.00 177.00 179.77 1t49 n VAL 211 N 0.51 3.56 -3.62 3.83 3.14 -1.25 -4.49 118.33 120.01 1t49 n VAL 211 Ca 0.01 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.51 1t49 n VAL 211 Cb 0.41 -1.66 -0.11 0.00 -1.06 0.00 0.00 33.84 31.41 1t49 n VAL 211 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1t49 s VAL 212 N -1.27 5.04 -0.11 1.55 1.01 -0.65 -0.72 120.40 125.25 1t49 s VAL 212 Ca 0.69 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1t49 s VAL 212 Cb -0.43 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1t49 s VAL 212 CO 0.51 0.21 -0.16 -0.69 0.00 0.00 0.00 175.10 174.97 1t49 s VAL 213 N 1.71 2.80 0.07 2.92 1.01 0.29 0.78 120.40 129.99 1t49 s VAL 213 Ca 0.07 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 1t49 s VAL 213 Cb -0.16 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1t49 s VAL 213 CO 0.09 0.54 0.30 -1.38 0.00 0.00 0.00 175.10 174.66 1t49 s HIS 214 N 0.19 -0.07 0.00 5.22 -3.43 -0.46 -1.04 115.29 115.70 1t49 s HIS 214 Ca -0.10 -0.17 0.00 0.00 -0.80 0.00 0.00 55.06 53.99 1t49 s HIS 214 Cb -0.16 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 1t49 s HIS 214 CO 0.06 -0.56 0.00 0.00 -2.00 0.00 0.00 174.74 172.23 1t49 h SER 216 N 0.00 -0.15 0.90 0.00 0.87 -1.92 -2.63 113.55 110.62 1t49 h SER 216 Ca 0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1t49 h SER 216 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1t49 h SER 216 CO 0.00 0.43 -0.79 0.00 -0.53 0.00 0.00 176.83 175.94 1t49 h ALA 217 N -0.61 0.53 -1.09 6.23 0.00 -1.90 -0.93 119.26 121.50 1t49 h ALA 217 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1t49 h ALA 217 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1t49 h ALA 217 CO 0.03 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 179.53 1t49 n GLY 218 N 1.27 0.17 0.00 0.00 0.00 -1.24 -4.20 105.19 101.20 1t49 n GLY 218 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1t49 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1t49 n ILE 219 N -3.90 0.00 0.00 -0.61 -5.35 -1.26 -4.49 119.36 103.75 1t49 n ILE 219 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1t49 n ILE 219 Cb 0.55 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1t49 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1t49 n GLY 220 N 1.64 0.64 0.38 3.28 0.00 -1.26 -1.63 105.19 108.24 1t49 n GLY 220 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t49 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t49 h ARG 221 N 0.00 1.24 -0.77 1.61 3.08 -1.96 -2.22 114.38 115.37 1t49 h ARG 221 Ca 0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1t49 h ARG 221 Cb 0.00 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.73 1t49 h ARG 221 CO 0.00 0.82 0.49 0.77 -1.07 0.00 0.00 179.97 180.98 1t49 h SER 222 N 1.28 0.83 -0.67 7.04 0.02 -1.88 -1.57 113.55 118.58 1t49 h SER 222 Ca 0.40 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.31 1t49 h SER 222 Cb -0.00 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1t49 h SER 222 CO -0.12 0.58 0.29 1.23 -1.14 0.00 0.00 176.83 177.67 1t49 h GLY 223 N 0.98 1.06 0.89 -3.77 0.00 -0.82 -2.52 103.07 98.88 1t49 h GLY 223 Ca 0.30 -0.55 0.02 0.00 0.00 0.00 0.00 47.33 47.09 1t49 h GLY 223 CO -0.10 0.52 0.18 -0.84 0.00 0.00 0.00 176.54 176.31 1t49 h THR 224 N 0.94 1.01 0.26 4.70 2.02 -0.82 0.40 112.91 121.44 1t49 h THR 224 Ca 0.23 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1t49 h THR 224 Cb 0.17 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1t49 h THR 224 CO -0.02 0.07 -0.32 0.15 0.37 0.00 0.00 175.52 175.76 1t49 h PHE 225 N 0.37 -0.87 -0.34 3.16 3.04 -1.11 -0.77 116.94 120.42 1t49 h PHE 225 Ca 0.13 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.98 1t49 h PHE 225 Cb 0.02 0.35 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 1t49 h PHE 225 CO -0.08 -0.45 -0.26 0.00 -2.02 0.00 0.00 178.31 175.49 1t49 h LEU 227 N 0.60 0.18 -0.17 0.00 5.85 -0.77 -0.37 115.31 120.63 1t49 h LEU 227 Ca 0.08 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1t49 h LEU 227 Cb 0.76 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1t49 h LEU 227 CO 0.06 0.33 0.10 0.00 -0.34 0.00 0.00 178.44 178.59 1t49 h ALA 228 N 0.86 0.21 -0.41 1.25 0.00 -1.11 -1.44 119.26 118.63 1t49 h ALA 228 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1t49 h ALA 228 Cb 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1t49 h ALA 228 CO -0.00 -0.29 0.20 0.22 0.00 0.00 0.00 179.25 179.38 1t49 h ASP 229 N 0.20 0.29 -0.32 0.00 3.58 -1.19 -2.02 116.42 116.97 1t49 h ASP 229 Ca 0.06 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 1t49 h ASP 229 Cb 0.01 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1t49 h ASP 229 CO -0.01 0.21 0.03 0.74 -2.88 0.00 0.00 179.24 177.33 1t49 h THR 230 N 0.41 1.25 -0.64 2.25 2.02 -0.95 -2.06 112.91 115.18 1t49 h THR 230 Ca 0.17 -0.88 0.02 0.00 0.77 0.00 0.00 66.41 66.50 1t49 h THR 230 Cb 0.09 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1t49 h THR 230 CO -0.13 0.29 0.41 0.00 0.37 0.00 0.00 175.52 176.46 1t49 h LEU 232 N 0.81 0.92 -0.46 0.00 3.38 -1.29 -1.36 115.31 117.31 1t49 h LEU 232 Ca 0.25 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1t49 h LEU 232 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1t49 h LEU 232 CO -0.08 0.99 0.12 0.25 0.09 0.00 0.00 178.44 179.81 1t49 h LEU 233 N 0.87 0.69 -1.14 1.67 5.85 -1.02 -2.63 115.31 119.60 1t49 h LEU 233 Ca 0.16 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1t49 h LEU 233 Cb 0.54 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1t49 h LEU 233 CO 0.03 0.73 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.77 1t49 h LEU 234 N 0.62 0.54 -1.53 2.25 3.38 -0.88 -2.33 115.31 117.35 1t49 h LEU 234 Ca 0.15 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1t49 h LEU 234 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1t49 h LEU 234 CO -0.00 0.63 -0.24 0.24 0.09 0.00 0.00 178.44 179.15 1t49 h MET 235 N 0.54 0.00 0.00 1.13 2.86 -0.95 -1.30 114.93 117.21 1t49 h MET 235 Ca 0.11 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.56 1t49 h MET 235 Cb 0.39 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1t49 h MET 235 CO 0.02 0.24 -0.88 -0.44 1.06 0.00 0.00 176.91 176.91 1t49 h ASP 236 N 0.00 0.00 0.32 1.22 3.45 -1.09 -3.37 116.42 116.96 1t49 h ASP 236 Ca -0.00 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.13 1t49 h ASP 236 Cb 0.47 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.22 1t49 h ASP 236 CO 0.03 0.88 -1.75 0.50 -1.57 0.00 0.00 179.24 177.33 1t49 h LYS 237 N 0.00 0.22 -7.07 3.56 3.64 -0.98 -3.48 116.57 112.45 1t49 h LYS 237 Ca -0.01 -0.37 -0.45 0.00 -1.27 0.00 0.00 60.65 58.55 1t49 h LYS 237 Cb 1.64 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 33.59 1t49 h LYS 237 CO 0.11 1.04 0.35 1.03 -2.27 0.00 0.00 179.45 179.72 1t49 s ARG 238 N -2.59 4.08 0.37 1.90 0.52 -0.53 -4.95 118.95 117.75 1t49 s ARG 238 Ca -0.13 1.18 0.14 0.00 -0.52 0.00 0.00 55.73 56.39 1t49 s ARG 238 Cb 0.07 -2.15 0.72 0.00 0.52 0.00 0.00 34.95 34.11 1t49 s ARG 238 CO 0.82 -0.17 1.81 0.87 0.02 0.00 0.00 175.30 178.65 1t49 h LYS 239 N 1.73 0.00 -3.17 3.54 1.57 -1.92 -3.34 116.57 114.97 1t49 h LYS 239 Ca -0.49 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.66 1t49 h LYS 239 Cb 1.19 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.09 1t49 h LYS 239 CO 0.60 0.38 -0.65 0.34 -0.57 0.00 0.00 179.45 179.55 1t49 s ASP 240 N -6.82 4.17 0.54 0.86 2.15 -1.26 -4.97 116.67 111.33 1t49 s ASP 240 Ca -0.02 -3.14 0.22 0.00 0.43 0.00 0.00 52.55 50.03 1t49 s ASP 240 Cb 0.14 -1.45 1.40 0.00 -0.30 0.00 0.00 42.92 42.70 1t49 s ASP 240 CO 0.72 -0.20 2.08 -0.65 -0.17 0.00 0.00 175.17 176.95 1t49 h PRO 241 N 6.23 0.00 0.00 4.34 0.11 -1.80 -1.23 132.00 139.65 1t49 h PRO 241 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1t49 h PRO 241 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1t49 h PRO 241 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 1t49 n SER 242 N -4.34 0.00 0.09 -2.05 3.41 -1.26 -2.06 113.62 107.40 1t49 n SER 242 Ca 0.03 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.15 1t49 n SER 242 Cb 0.35 -0.44 0.44 0.00 -0.26 0.00 0.00 64.21 64.30 1t49 n SER 242 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1t49 n SER 243 N -1.44 0.68 -4.64 4.04 3.41 -0.47 -4.78 113.62 110.43 1t49 n SER 243 Ca 0.05 0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 58.80 1t49 n SER 243 Cb 0.16 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 1t49 n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1t49 s VAL 244 N -3.09 3.61 -0.33 -3.33 1.01 -0.87 -4.96 120.40 112.43 1t49 s VAL 244 Ca 0.11 0.69 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 1t49 s VAL 244 Cb 0.13 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1t49 s VAL 244 CO 0.58 -0.22 0.10 -0.62 0.00 0.00 0.00 175.10 174.94 1t49 s ASP 245 N 4.31 5.30 0.32 3.32 -1.08 -1.26 -4.93 116.67 122.65 1t49 s ASP 245 Ca 0.74 -1.11 0.00 0.00 -0.52 0.00 0.00 52.55 51.66 1t49 s ASP 245 Cb -0.28 -1.87 0.54 0.00 -1.46 0.00 0.00 42.92 39.85 1t49 s ASP 245 CO 0.30 -0.32 1.98 -0.29 0.52 0.00 0.00 175.17 177.36 1t49 h ILE 246 N 6.16 1.17 -0.69 4.11 2.10 -1.99 -1.03 117.51 127.34 1t49 h ILE 246 Ca -0.24 -0.34 -0.03 0.00 1.08 0.00 0.00 64.86 65.33 1t49 h ILE 246 Cb 1.08 0.08 -0.03 0.00 -1.09 0.00 0.00 36.82 36.87 1t49 h ILE 246 CO 0.60 0.18 0.30 0.11 -1.08 0.00 0.00 178.15 178.27 1t49 h LYS 247 N 1.00 0.99 -0.08 2.19 1.57 -1.98 0.16 116.57 120.41 1t49 h LYS 247 Ca 0.29 -0.15 -0.23 0.00 -1.87 0.00 0.00 60.65 58.69 1t49 h LYS 247 Cb -0.07 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.08 1t49 h LYS 247 CO -0.07 0.78 -0.87 0.87 -0.57 0.00 0.00 179.45 179.59 1t49 h LYS 248 N 0.98 0.67 -0.38 3.15 1.57 -1.70 -0.75 116.57 120.10 1t49 h LYS 248 Ca 0.23 -0.62 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1t49 h LYS 248 Cb 0.14 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1t49 h LYS 248 CO -0.03 1.22 0.09 0.28 -0.57 0.00 0.00 179.45 180.45 1t49 h VAL 249 N 0.43 1.23 -0.75 0.50 2.07 -0.95 -0.72 116.25 118.06 1t49 h VAL 249 Ca -0.08 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.67 1t49 h VAL 249 Cb 1.50 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1t49 h VAL 249 CO 0.17 0.27 0.49 0.25 0.02 0.00 0.00 177.57 178.77 1t49 h LEU 250 N 0.47 0.86 -0.82 2.57 5.85 -0.64 -1.18 115.31 122.43 1t49 h LEU 250 Ca 0.12 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1t49 h LEU 250 Cb 0.31 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1t49 h LEU 250 CO 0.00 0.63 0.17 -0.07 -0.34 0.00 0.00 178.44 178.83 1t49 h LEU 251 N 1.01 0.99 -0.54 2.25 3.38 -0.89 -1.28 115.31 120.24 1t49 h LEU 251 Ca 0.27 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1t49 h LEU 251 Cb -0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1t49 h LEU 251 CO -0.06 0.95 0.34 -0.08 0.09 0.00 0.00 178.44 179.68 1t49 h GLU 252 N 1.01 0.73 -0.38 1.13 4.57 -0.76 -2.89 114.58 117.98 1t49 h GLU 252 Ca 0.21 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1t49 h GLU 252 Cb 0.34 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1t49 h GLU 252 CO -0.00 0.52 0.02 0.52 -1.18 0.00 0.00 179.01 178.89 1t49 h MET 253 N 0.73 0.59 0.00 1.92 2.86 -0.78 -2.02 114.93 118.23 1t49 h MET 253 Ca 0.20 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1t49 h MET 253 Cb -0.03 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.54 1t49 h MET 253 CO -0.04 0.60 0.00 0.54 1.06 0.00 0.00 176.91 179.07 1t49 n ARG 254 N -4.28 0.13 0.22 1.72 1.74 -0.52 -0.97 116.66 114.70 1t49 n ARG 254 Ca 0.02 0.20 0.15 0.00 -0.77 0.00 0.00 57.85 57.45 1t49 n ARG 254 Cb 0.24 -1.50 0.52 0.00 -1.02 0.00 0.00 32.46 30.70 1t49 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1t49 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.33 -3.31 116.57 119.06 1t49 h LYS 255 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1t49 h LYS 255 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1t49 h LYS 255 CO 0.00 0.00 -1.85 1.19 -0.57 0.00 0.00 179.45 178.22 1t49 n PHE 256 N -2.83 0.00 -3.65 -1.35 3.72 -0.14 -4.96 117.46 108.25 1t49 n PHE 256 Ca 0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 1t49 n PHE 256 Cb 0.34 -0.53 -0.08 0.00 -0.94 0.00 0.00 39.48 38.28 1t49 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1t49 s ARG 257 N -2.75 0.70 0.69 -1.08 3.52 -1.18 -4.55 118.95 114.30 1t49 s ARG 257 Ca -0.06 1.00 -0.13 0.00 -0.13 0.00 0.00 55.73 56.41 1t49 s ARG 257 Cb 0.07 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 1t49 s ARG 257 CO 0.63 -0.12 1.08 0.00 -0.81 0.00 0.00 175.30 176.09 1t49 s MET 258 N 0.88 2.74 0.00 5.12 0.23 -1.26 -4.26 119.30 122.75 1t49 s MET 258 Ca -0.04 1.19 0.00 0.00 -1.03 0.00 0.00 55.69 55.80 1t49 s MET 258 Cb -0.05 -1.96 0.00 0.00 -1.53 0.00 0.00 34.83 31.29 1t49 s MET 258 CO -0.07 -1.27 0.00 0.41 -2.03 0.00 0.00 175.02 172.06 1t49 n GLY 259 N -1.16 0.47 3.67 3.16 0.00 -1.26 -4.86 105.19 105.21 1t49 n GLY 259 Ca 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.60 1t49 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t49 n LEU 260 N 0.00 2.72 -1.65 0.99 4.77 -1.26 -3.67 117.00 118.90 1t49 n LEU 260 Ca 0.00 1.05 -0.01 0.00 -0.03 0.00 0.00 56.01 57.02 1t49 n LEU 260 Cb 0.08 -1.28 -0.01 0.00 -2.33 0.00 0.00 43.42 39.88 1t49 n LEU 260 CO 0.00 -0.41 -0.14 -0.38 -1.33 0.00 0.00 177.39 175.13 1t49 n ILE 261 N 4.10 -5.05 0.11 -0.08 2.08 -0.65 -4.97 119.36 114.89 1t49 n ILE 261 Ca 0.22 0.63 0.11 0.00 0.56 0.00 0.00 62.75 64.28 1t49 n ILE 261 Cb 0.23 -4.07 0.00 0.00 -0.75 0.00 0.00 39.64 35.05 1t49 n ILE 261 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1t49 h GLN 262 N 0.91 0.00 -4.39 0.38 4.20 -1.82 -3.48 115.11 110.90 1t49 h GLN 262 Ca -0.10 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 1t49 h GLN 262 Cb 0.23 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.86 1t49 h GLN 262 CO 0.00 0.00 -0.67 0.95 -0.67 0.00 0.00 178.83 178.45 1t49 s THR 263 N -3.36 0.23 0.40 -0.54 -4.23 -1.26 -5.02 115.64 101.87 1t49 s THR 263 Ca -0.00 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1t49 s THR 263 Cb 0.09 -1.80 0.19 0.00 1.34 0.00 0.00 72.50 72.32 1t49 s THR 263 CO 0.79 -0.72 1.96 0.00 -0.54 0.00 0.00 174.62 176.11 1t49 h ALA 264 N 2.98 1.59 -0.73 3.99 0.00 -1.93 -1.87 119.26 123.29 1t49 h ALA 264 Ca -0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1t49 h ALA 264 Cb 1.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1t49 h ALA 264 CO 0.63 0.30 0.25 -0.44 0.00 0.00 0.00 179.25 179.98 1t49 h ASP 265 N 0.25 1.04 0.19 0.00 3.45 -1.95 -0.94 116.42 118.47 1t49 h ASP 265 Ca 0.06 -0.18 -0.13 0.00 0.43 0.00 0.00 57.03 57.20 1t49 h ASP 265 Cb 0.27 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1t49 h ASP 265 CO 0.01 0.96 -0.49 1.56 -1.57 0.00 0.00 179.24 179.71 1t49 h GLN 266 N 1.08 0.35 -0.00 3.56 4.20 -1.77 -0.57 115.11 121.97 1t49 h GLN 266 Ca 0.24 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1t49 h GLN 266 Cb 0.28 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1t49 h GLN 266 CO -0.01 0.77 0.00 1.25 -0.67 0.00 0.00 178.83 180.17 1t49 h LEU 267 N 0.28 0.00 -0.54 1.46 5.85 -1.03 -0.95 115.31 120.38 1t49 h LEU 267 Ca 0.01 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.59 1t49 h LEU 267 Cb 0.97 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 1t49 h LEU 267 CO 0.08 0.20 0.26 -0.09 -0.34 0.00 0.00 178.44 178.55 1t49 h ARG 268 N -0.19 0.48 -0.41 1.25 2.43 -1.01 -1.30 114.38 115.63 1t49 h ARG 268 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1t49 h ARG 268 Cb 0.20 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1t49 h ARG 268 CO -0.00 0.32 0.15 0.35 -1.51 0.00 0.00 179.97 179.28 1t49 h PHE 269 N 0.50 0.58 -0.37 2.20 3.04 -1.00 -1.58 116.94 120.31 1t49 h PHE 269 Ca 0.25 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.12 1t49 h PHE 269 Cb 0.19 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1t49 h PHE 269 CO -0.11 0.47 0.03 0.77 -2.02 0.00 0.00 178.31 177.44 1t49 h SER 270 N 0.58 0.61 -0.11 0.41 0.02 -0.06 -0.19 113.55 114.81 1t49 h SER 270 Ca 0.14 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1t49 h SER 270 Cb 0.14 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1t49 h SER 270 CO -0.01 0.75 -0.11 1.88 -1.14 0.00 0.00 176.83 178.20 1t49 h TYR 271 N 0.46 -0.27 -0.63 3.45 -1.99 -0.99 -1.88 116.97 115.12 1t49 h TYR 271 Ca 0.11 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.94 1t49 h TYR 271 Cb 0.42 0.14 -0.07 0.00 2.00 0.00 0.00 36.73 39.22 1t49 h TYR 271 CO 0.03 -0.17 0.27 1.25 -0.00 0.00 0.00 178.16 179.54 1t49 h LEU 272 N -0.14 0.31 -0.53 3.88 6.46 -0.91 0.19 115.31 124.58 1t49 h LEU 272 Ca 0.08 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1t49 h LEU 272 Cb 0.25 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1t49 h LEU 272 CO -0.19 0.19 0.15 0.00 -0.62 0.00 0.00 178.44 177.97 1t49 h ALA 273 N 1.40 0.69 -0.35 1.25 0.00 -0.83 -0.48 119.26 120.95 1t49 h ALA 273 Ca 0.31 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1t49 h ALA 273 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1t49 h ALA 273 CO -0.28 0.37 -0.01 0.28 0.00 0.00 0.00 179.25 179.60 1t49 h VAL 274 N 0.73 1.26 -0.05 0.00 2.07 -0.50 0.18 116.25 119.94 1t49 h VAL 274 Ca 0.17 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1t49 h VAL 274 Cb 0.30 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1t49 h VAL 274 CO -0.00 0.33 0.03 0.40 0.02 0.00 0.00 177.57 178.35 1t49 h ILE 275 N 0.43 1.04 -0.25 4.57 2.04 -0.54 -0.83 117.51 123.98 1t49 h ILE 275 Ca 0.10 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1t49 h ILE 275 Cb 0.48 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1t49 h ILE 275 CO 0.02 0.04 -0.32 -0.33 0.00 0.00 0.00 178.15 177.56 1t49 h GLU 276 N 0.03 0.53 -0.58 2.37 4.39 -1.05 -1.03 114.58 119.23 1t49 h GLU 276 Ca 0.02 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.46 1t49 h GLU 276 Cb 0.04 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1t49 h GLU 276 CO -0.00 0.78 0.24 0.78 -1.16 0.00 0.00 179.01 179.65 1t49 h GLY 277 N 1.05 0.91 1.01 -3.84 0.00 -0.46 -0.78 103.07 100.96 1t49 h GLY 277 Ca 0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1t49 h GLY 277 CO 0.06 0.46 0.00 0.00 0.00 0.00 0.00 176.54 177.06 1t49 h ALA 278 N 1.09 0.68 -0.02 3.60 0.00 -0.96 -2.76 119.26 120.89 1t49 h ALA 278 Ca 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1t49 h ALA 278 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1t49 h ALA 278 CO -0.02 0.49 -0.15 0.87 0.00 0.00 0.00 179.25 180.43 1t49 h LYS 279 N 0.75 0.02 0.00 0.00 1.57 -0.85 -1.62 116.57 116.45 1t49 h LYS 279 Ca 0.14 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1t49 h LYS 279 Cb 0.51 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1t49 h LYS 279 CO 0.03 0.18 -0.45 0.35 -0.57 0.00 0.00 179.45 178.99 1t49 h PHE 280 N 0.02 0.00 0.00 -1.35 3.57 -0.93 -3.39 116.94 114.87 1t49 h PHE 280 Ca 0.00 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1t49 h PHE 280 Cb 0.29 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1t49 h PHE 280 CO 0.00 0.45 -0.69 0.82 -2.23 0.00 0.00 178.31 176.66 1t49 h ILE 281 N 0.00 1.43 0.00 1.41 2.04 -1.01 -3.51 117.51 117.86 1t49 h ILE 281 Ca -0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1t49 h ILE 281 Cb 1.06 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1t49 h ILE 281 CO 0.06 0.68 0.00 0.23 0.00 0.00 0.00 178.15 179.12