#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pty h MET 3 N 0.00 0.00 -0.38 3.44 -0.00 -1.87 -2.55 114.93 113.57 1pty h MET 3 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 1pty h MET 3 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1pty h MET 3 CO 0.00 0.02 -0.18 1.49 -0.00 0.00 0.00 176.91 178.23 1pty h GLU 4 N 0.00 0.79 -0.25 -0.10 4.81 -1.98 0.17 114.58 118.02 1pty h GLU 4 Ca -0.00 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 1pty h GLU 4 Cb 0.04 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1pty h GLU 4 CO 0.00 0.97 0.00 0.87 -0.73 0.00 0.00 179.01 180.13 1pty h LYS 5 N 0.59 0.44 -0.98 1.92 1.57 -1.91 -1.99 116.57 116.20 1pty h LYS 5 Ca 0.08 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1pty h LYS 5 Cb 0.73 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 1pty h LYS 5 CO 0.06 0.61 0.65 1.49 -0.57 0.00 0.00 179.45 181.68 1pty h GLU 6 N 0.22 1.26 -0.60 3.15 4.81 -1.40 -1.11 114.58 120.91 1pty h GLU 6 Ca 0.07 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1pty h GLU 6 Cb 0.41 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1pty h GLU 6 CO 0.01 0.84 0.39 0.35 -0.73 0.00 0.00 179.01 179.87 1pty h PHE 7 N 1.30 0.74 -0.32 0.92 3.57 -0.40 -1.27 116.94 121.48 1pty h PHE 7 Ca 0.37 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 1pty h PHE 7 Cb -0.10 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1pty h PHE 7 CO -0.00 0.46 0.17 0.93 -2.23 0.00 0.00 178.31 177.64 1pty h GLU 8 N 0.80 0.45 0.05 1.11 3.07 -0.54 -0.33 114.58 119.18 1pty h GLU 8 Ca 0.22 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1pty h GLU 8 Cb -0.08 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.75 1pty h GLU 8 CO -0.06 0.39 -0.02 1.96 -1.40 0.00 0.00 179.01 179.88 1pty h GLN 9 N 0.39 -0.06 -0.93 2.33 4.20 -0.93 -0.08 115.11 120.03 1pty h GLN 9 Ca 0.11 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1pty h GLN 9 Cb 0.07 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1pty h GLN 9 CO -0.02 -0.03 0.57 0.82 -0.67 0.00 0.00 178.83 179.51 1pty h ILE 10 N -0.07 1.25 -0.02 2.54 2.04 -1.15 -1.20 117.51 120.90 1pty h ILE 10 Ca -0.01 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1pty h ILE 10 Cb 0.06 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1pty h ILE 10 CO 0.01 0.26 0.00 -0.78 0.00 0.00 0.00 178.15 177.64 1pty h ASP 11 N 1.27 0.03 -0.91 1.72 3.58 -0.84 -0.62 116.42 120.65 1pty h ASP 11 Ca 0.33 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 1pty h ASP 11 Cb -0.08 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 1pty h ASP 11 CO -0.07 0.29 0.52 0.07 -2.88 0.00 0.00 179.24 177.17 1pty h LYS 12 N -0.23 1.25 0.00 0.28 2.10 -0.87 -1.87 116.57 117.22 1pty h LYS 12 Ca 0.01 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1pty h LYS 12 Cb 0.27 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1pty h LYS 12 CO 0.00 0.90 0.00 0.77 -2.00 0.00 0.00 179.45 179.12 1pty h SER 13 N 1.26 0.00 -4.60 7.07 0.02 -1.14 -3.47 113.55 112.70 1pty h SER 13 Ca 0.32 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.98 1pty h SER 13 Cb -0.01 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.64 1pty h SER 13 CO -0.06 0.00 -0.51 0.61 -1.14 0.00 0.00 176.83 175.73 1pty n GLY 14 N 0.40 -0.15 1.43 -3.77 0.00 -0.33 -4.96 105.19 97.82 1pty n GLY 14 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1pty n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pty n SER 15 N -1.95 3.31 -0.11 1.61 3.41 -0.68 -4.68 113.62 114.54 1pty n SER 15 Ca -0.03 -3.79 -0.09 0.00 -0.26 0.00 0.00 58.87 54.70 1pty n SER 15 Cb 0.56 -0.63 0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1pty n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1pty h TRP 16 N 1.27 0.97 -0.68 7.33 4.06 -1.93 -1.30 115.95 125.66 1pty h TRP 16 Ca 0.29 -0.23 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 1pty h TRP 16 Cb 1.60 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 29.50 1pty h TRP 16 CO 1.08 1.00 0.38 0.00 -3.56 0.00 0.00 178.44 177.33 1pty h ALA 17 N 0.99 0.87 -0.22 1.49 0.00 -1.92 0.19 119.26 120.66 1pty h ALA 17 Ca 0.09 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1pty h ALA 17 Cb 0.78 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pty h ALA 17 CO 0.06 0.37 -0.23 0.00 0.00 0.00 0.00 179.25 179.45 1pty h ALA 18 N 1.19 0.32 0.02 0.00 0.00 -1.86 -0.65 119.26 118.29 1pty h ALA 18 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1pty h ALA 18 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pty h ALA 18 CO -0.04 0.29 -0.03 0.82 0.00 0.00 0.00 179.25 180.29 1pty h ILE 19 N 0.23 0.92 -0.75 0.00 1.08 -1.08 0.07 117.51 117.98 1pty h ILE 19 Ca 0.03 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.52 1pty h ILE 19 Cb 0.79 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1pty h ILE 19 CO 0.06 0.00 0.49 0.22 -0.69 0.00 0.00 178.15 178.23 1pty h TYR 20 N -0.07 0.92 -0.28 1.37 3.20 -0.96 -2.00 116.97 119.16 1pty h TYR 20 Ca 0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1pty h TYR 20 Cb 0.08 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1pty h TYR 20 CO -0.10 0.57 -0.12 0.37 -1.64 0.00 0.00 178.16 177.24 1pty h GLN 21 N 0.99 0.47 -0.47 1.82 5.75 -0.79 -1.83 115.11 121.05 1pty h GLN 21 Ca 0.28 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.59 1pty h GLN 21 Cb -0.07 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 1pty h GLN 21 CO -0.08 0.59 0.03 -0.44 -2.65 0.00 0.00 178.83 176.29 1pty h ASP 22 N 0.44 0.72 -0.55 -0.69 3.32 -0.29 -1.43 116.42 117.93 1pty h ASP 22 Ca 0.08 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1pty h ASP 22 Cb 0.48 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1pty h ASP 22 CO 0.03 0.77 -0.02 0.40 -1.72 0.00 0.00 179.24 178.69 1pty h ILE 23 N 0.71 1.27 -0.87 0.35 2.04 -0.71 -1.40 117.51 118.91 1pty h ILE 23 Ca 0.15 -1.14 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1pty h ILE 23 Cb 0.39 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1pty h ILE 23 CO 0.01 0.41 0.43 0.03 0.00 0.00 0.00 178.15 179.03 1pty h ARG 24 N 0.86 1.24 -0.55 2.37 3.08 -0.89 -0.57 114.38 119.92 1pty h ARG 24 Ca 0.15 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1pty h ARG 24 Cb 0.56 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1pty h ARG 24 CO 0.03 0.94 0.03 1.25 -1.07 0.00 0.00 179.97 181.15 1pty h HIS 25 N 1.23 1.02 0.00 3.04 2.76 -1.02 -3.10 115.15 119.09 1pty h HIS 25 Ca 0.30 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1pty h HIS 25 Cb 0.09 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1pty h HIS 25 CO 0.01 0.93 -0.09 0.39 -1.30 0.00 0.00 177.93 177.87 1pty n GLU 26 N -4.29 0.26 -1.70 5.26 1.02 -0.55 -4.94 120.64 115.70 1pty n GLU 26 Ca 0.02 0.19 -0.40 0.00 -0.02 0.00 0.00 57.16 56.96 1pty n GLU 26 Cb 0.31 -1.79 0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1pty n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pty n ALA 27 N -1.79 1.27 -1.42 0.62 0.00 -0.25 -4.96 120.51 113.97 1pty n ALA 27 Ca 0.05 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 1pty n ALA 27 Cb 0.43 -2.28 0.09 0.00 0.00 0.00 0.00 19.45 17.69 1pty n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pty s SER 28 N -0.72 4.21 -0.17 0.00 0.01 -1.26 -5.04 113.70 110.73 1pty s SER 28 Ca 0.66 2.44 -0.03 0.00 1.31 0.00 0.00 55.95 60.32 1pty s SER 28 Cb -0.47 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.22 1pty s SER 28 CO 0.54 -2.26 0.03 -0.62 0.41 0.00 0.00 173.24 171.35 1pty s ASP 29 N -1.86 2.61 0.16 2.44 2.15 -1.26 -4.94 116.67 115.97 1pty s ASP 29 Ca 0.77 -0.67 0.08 0.00 0.43 0.00 0.00 52.55 53.15 1pty s ASP 29 Cb -0.31 -0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 41.73 1pty s ASP 29 CO 0.44 -0.29 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.63 1pty s PHE 30 N 1.91 1.68 0.66 -5.34 0.08 -1.26 -5.13 117.98 110.57 1pty s PHE 30 Ca 0.00 -0.52 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 1pty s PHE 30 Cb -0.16 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 1pty s PHE 30 CO -0.08 0.28 1.17 -1.25 -0.10 0.00 0.00 175.22 175.25 1pty s PRO 31 N -2.94 2.63 -0.35 0.24 0.04 -1.26 -4.84 135.00 128.52 1pty s PRO 31 Ca 0.15 1.66 0.14 0.00 0.04 0.00 0.00 61.00 62.99 1pty s PRO 31 Cb -0.04 -1.90 0.45 0.00 0.04 0.00 0.00 34.50 33.04 1pty s PRO 31 CO 0.06 -1.43 1.03 0.00 0.04 0.00 0.00 177.00 176.69 1pty h ARG 33 N 2.78 1.10 -0.46 0.00 3.08 -1.93 -2.54 114.38 116.41 1pty h ARG 33 Ca 0.05 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1pty h ARG 33 Cb 1.13 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1pty h ARG 33 CO 0.60 0.86 0.19 0.28 -1.07 0.00 0.00 179.97 180.82 1pty h VAL 34 N 1.07 1.20 -0.55 2.04 2.07 -1.92 -2.29 116.25 117.88 1pty h VAL 34 Ca 0.26 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.23 1pty h VAL 34 Cb 0.12 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1pty h VAL 34 CO -0.03 0.23 0.37 0.00 0.02 0.00 0.00 177.57 178.15 1pty h ALA 35 N 1.04 1.86 -0.11 1.67 0.00 -1.82 -1.80 119.26 120.09 1pty h ALA 35 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pty h ALA 35 Cb 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pty h ALA 35 CO -0.01 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.92 1pty n LYS 36 N -4.47 1.63 -2.08 0.00 4.76 -0.89 -4.65 118.16 112.45 1pty n LYS 36 Ca 0.08 -0.94 -0.39 0.00 -2.87 0.00 0.00 58.31 54.18 1pty n LYS 36 Cb 0.24 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 1pty n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pty s LEU 37 N -1.69 4.24 0.31 -0.35 1.43 -0.68 -4.91 118.68 117.03 1pty s LEU 37 Ca 0.34 2.63 0.06 0.00 -1.03 0.00 0.00 54.13 56.12 1pty s LEU 37 Cb 0.18 -3.88 0.72 0.00 0.03 0.00 0.00 46.19 43.24 1pty s LEU 37 CO 0.28 -0.79 1.80 -0.65 0.23 0.00 0.00 176.35 177.22 1pty h PRO 38 N 2.76 0.77 0.00 1.29 0.11 -1.91 -0.31 132.00 134.71 1pty h PRO 38 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1pty h PRO 38 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1pty h PRO 38 CO 0.63 0.51 0.00 1.57 -0.21 0.00 0.00 178.00 180.50 1pty h LYS 39 N 0.80 0.00 -0.43 1.05 2.10 -1.95 -2.26 116.57 115.88 1pty h LYS 39 Ca 0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 1pty h LYS 39 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1pty h LYS 39 CO -0.33 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.21 1pty n ASN 40 N -2.57 3.47 -0.19 7.07 3.02 -0.13 -4.55 115.26 121.38 1pty n ASN 40 Ca -0.01 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1pty n ASN 40 Cb 0.13 -0.28 0.10 0.00 -0.61 0.00 0.00 39.78 39.13 1pty n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1pty h LYS 41 N 4.23 0.27 -0.01 3.52 3.11 -1.41 -0.62 116.57 125.66 1pty h LYS 41 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1pty h LYS 41 Cb 0.96 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1pty h LYS 41 CO 0.00 0.18 0.00 0.27 -2.81 0.00 0.00 179.45 177.09 1pty n ASN 42 N -5.11 0.09 -0.63 4.20 0.23 -1.26 -3.02 115.26 109.76 1pty n ASN 42 Ca 0.08 -1.82 0.08 0.00 -0.53 0.00 0.00 54.58 52.39 1pty n ASN 42 Cb 0.30 -0.01 0.06 0.00 -2.08 0.00 0.00 39.78 38.06 1pty n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1pty n ARG 43 N -0.54 1.27 -4.51 -3.83 1.74 -0.24 -4.91 116.66 105.64 1pty n ARG 43 Ca 0.05 -1.42 -0.33 0.00 -0.77 0.00 0.00 57.85 55.38 1pty n ARG 43 Cb 0.03 -1.30 -0.14 0.00 -1.02 0.00 0.00 32.46 30.03 1pty n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1pty s ASN 44 N -1.37 4.14 0.10 0.55 0.01 -1.17 -4.40 114.94 112.80 1pty s ASN 44 Ca 0.18 -0.33 -0.12 0.00 -0.71 0.00 0.00 52.86 51.89 1pty s ASN 44 Cb 0.13 -1.66 -0.16 0.00 0.41 0.00 0.00 41.25 39.98 1pty s ASN 44 CO 0.21 0.12 1.28 -0.09 -1.51 0.00 0.00 177.10 177.11 1pty h ARG 45 N 7.07 0.72 -5.27 -0.60 2.43 -1.89 -3.44 114.38 113.39 1pty h ARG 45 Ca -0.31 -0.65 -0.60 0.00 -0.81 0.00 0.00 59.98 57.61 1pty h ARG 45 Cb 1.20 0.16 -0.32 0.00 -0.42 0.00 0.00 29.97 30.58 1pty h ARG 45 CO 0.58 1.25 -0.85 0.71 -1.51 0.00 0.00 179.97 180.15 1pty s TYR 46 N -3.58 2.00 0.38 2.20 2.02 -1.26 -5.02 117.35 114.09 1pty s TYR 46 Ca -0.09 -0.68 0.07 0.00 -0.37 0.00 0.00 57.07 55.99 1pty s TYR 46 Cb 0.08 -1.36 0.79 0.00 -0.40 0.00 0.00 41.96 41.08 1pty s TYR 46 CO 0.90 -0.26 1.99 -0.09 -1.57 0.00 0.00 175.55 176.52 1pty h ARG 47 N 6.49 0.66 -0.65 -0.62 2.43 -1.98 -2.75 114.38 117.96 1pty h ARG 47 Ca -0.29 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1pty h ARG 47 Cb 1.19 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1pty h ARG 47 CO 0.47 0.43 0.00 -0.40 -1.51 0.00 0.00 179.97 178.97 1pty n ASP 48 N -4.47 3.79 -3.78 -3.80 5.75 -1.26 -4.78 116.55 107.99 1pty n ASP 48 Ca 0.08 -2.16 -0.29 0.00 -0.01 0.00 0.00 54.79 52.42 1pty n ASP 48 Cb 0.18 -0.48 -0.16 0.00 -1.03 0.00 0.00 41.12 39.64 1pty n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pty s VAL 49 N -1.41 0.87 0.08 2.12 1.01 -1.04 -5.07 120.40 116.96 1pty s VAL 49 Ca 0.44 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1pty s VAL 49 Cb 0.25 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1pty s VAL 49 CO 0.26 -0.35 -0.08 -0.44 0.00 0.00 0.00 175.10 174.50 1pty s SER 50 N 1.67 1.11 0.26 3.32 0.01 -1.26 -4.64 113.70 114.17 1pty s SER 50 Ca 0.02 -0.81 -0.21 0.00 1.31 0.00 0.00 55.95 56.25 1pty s SER 50 Cb -0.18 0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.02 1pty s SER 50 CO -0.13 -0.34 0.79 -2.16 0.41 0.00 0.00 173.24 171.81 1pty s PRO 51 N -2.86 4.33 0.53 12.44 0.04 -1.26 -4.54 135.00 143.68 1pty s PRO 51 Ca 0.03 1.00 -0.21 0.00 0.04 0.00 0.00 61.00 61.86 1pty s PRO 51 Cb -0.02 -2.82 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1pty s PRO 51 CO -0.02 0.34 1.16 -0.06 0.04 0.00 0.00 177.00 178.46 1pty s PHE 52 N -1.58 2.67 0.21 0.56 0.08 -1.26 -4.56 117.98 114.10 1pty s PHE 52 Ca 0.46 1.53 -0.09 0.00 0.12 0.00 0.00 56.93 58.95 1pty s PHE 52 Cb -0.17 -3.37 0.17 0.00 -0.57 0.00 0.00 43.02 39.08 1pty s PHE 52 CO 0.21 -1.72 1.83 -0.44 -0.10 0.00 0.00 175.22 175.01 1pty h ASP 53 N 1.42 1.01 0.15 1.36 3.32 -1.29 -1.86 116.42 120.53 1pty h ASP 53 Ca -0.50 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 1pty h ASP 53 Cb 1.27 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 1pty h ASP 53 CO 0.58 0.82 -0.14 1.12 -1.72 0.00 0.00 179.24 179.90 1pty h HIS 54 N 1.13 0.00 -0.09 4.55 2.07 -1.92 -3.18 115.15 117.70 1pty h HIS 54 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 1pty h HIS 54 Cb 0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.02 1pty h HIS 54 CO 0.00 0.14 0.00 -1.13 -3.07 0.00 0.00 177.93 173.88 1pty n SER 55 N -4.34 2.03 -4.75 3.10 3.41 -1.12 -5.03 113.62 106.91 1pty n SER 55 Ca -0.03 -1.56 -0.36 0.00 -0.26 0.00 0.00 58.87 56.66 1pty n SER 55 Cb 0.21 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1pty n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pty s ARG 56 N -0.80 2.96 -0.12 4.33 1.70 -0.72 -0.76 118.95 125.55 1pty s ARG 56 Ca 0.12 1.84 -0.23 0.00 -0.47 0.00 0.00 55.73 56.99 1pty s ARG 56 Cb 0.08 -1.93 -0.03 0.00 -0.57 0.00 0.00 34.95 32.50 1pty s ARG 56 CO 0.11 -1.22 0.70 0.42 -1.08 0.00 0.00 175.30 174.23 1pty s ILE 57 N -1.58 5.02 -0.15 4.99 -1.09 -0.41 -4.78 121.20 123.19 1pty s ILE 57 Ca 0.78 1.39 -0.14 0.00 -2.23 0.00 0.00 60.65 60.45 1pty s ILE 57 Cb -0.31 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.50 1pty s ILE 57 CO 0.33 0.18 0.29 -0.54 -1.23 0.00 0.00 174.94 173.97 1pty s LYS 58 N 1.34 4.22 0.37 2.79 1.02 -1.26 -4.26 119.74 123.96 1pty s LYS 58 Ca 0.35 0.09 -0.25 0.00 0.02 0.00 0.00 55.97 56.18 1pty s LYS 58 Cb -0.17 -3.41 -0.09 0.00 -0.52 0.00 0.00 37.83 33.64 1pty s LYS 58 CO 0.15 0.27 1.07 -0.51 -0.92 0.00 0.00 175.35 175.41 1pty s LEU 59 N 0.36 4.24 -0.24 3.17 1.43 0.19 -4.93 118.68 122.91 1pty s LEU 59 Ca 0.17 2.12 -0.03 0.00 -1.03 0.00 0.00 54.13 55.35 1pty s LEU 59 Cb -0.13 -4.04 -0.00 0.00 0.03 0.00 0.00 46.19 42.05 1pty s LEU 59 CO 0.04 -0.43 2.74 1.41 0.23 0.00 0.00 176.35 180.35 1pty n HIS 60 N 0.25 0.94 -4.57 0.29 8.25 -1.26 -4.57 115.22 114.54 1pty n HIS 60 Ca 0.03 -1.71 -0.30 0.00 -0.26 0.00 0.00 57.72 55.49 1pty n HIS 60 Cb 0.48 -1.24 -0.13 0.00 1.12 0.00 0.00 29.99 30.23 1pty n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1pty s GLN 61 N -0.77 1.85 0.41 -0.41 -2.07 -1.26 -5.02 119.66 112.40 1pty s GLN 61 Ca 0.47 -1.11 0.23 0.00 -1.82 0.00 0.00 55.36 53.13 1pty s GLN 61 Cb 0.29 -2.09 0.69 0.00 -1.09 0.00 0.00 33.01 30.81 1pty s GLN 61 CO -0.08 0.51 1.73 0.93 -1.32 0.00 0.00 175.29 177.05 1pty h GLU 62 N 4.28 0.00 0.00 9.60 5.08 -2.03 -3.38 114.58 128.13 1pty h GLU 62 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1pty h GLU 62 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1pty h GLU 62 CO 0.45 0.24 0.00 -3.47 -1.00 0.00 0.00 179.01 175.23 1pty n ASP 63 N -3.29 0.00 -3.57 1.42 2.03 -1.26 -4.83 116.55 107.04 1pty n ASP 63 Ca 0.01 0.69 -0.14 0.00 0.52 0.00 0.00 54.79 55.87 1pty n ASP 63 Cb 0.50 -0.27 -0.12 0.00 -0.72 0.00 0.00 41.12 40.51 1pty n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1pty s ASN 64 N -2.01 0.63 -0.00 1.67 3.84 -1.26 -5.04 114.94 112.76 1pty s ASN 64 Ca 0.00 0.31 0.08 0.00 0.21 0.00 0.00 52.86 53.46 1pty s ASN 64 Cb 0.00 0.67 0.24 0.00 -0.55 0.00 0.00 41.25 41.61 1pty s ASN 64 CO 0.00 -0.27 1.18 -0.90 -2.79 0.00 0.00 177.10 174.32 1pty n ASP 65 N 5.34 1.48 -4.74 -4.21 5.68 -1.26 -4.81 116.55 114.03 1pty n ASP 65 Ca -0.06 -2.02 -0.40 0.00 -0.50 0.00 0.00 54.79 51.82 1pty n ASP 65 Cb 0.50 -0.20 -0.05 0.00 -1.14 0.00 0.00 41.12 40.23 1pty n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1pty s TYR 66 N -1.64 3.78 -0.13 2.11 5.04 -1.26 -0.63 117.35 124.61 1pty s TYR 66 Ca 0.18 1.59 -0.11 0.00 -2.44 0.00 0.00 57.07 56.30 1pty s TYR 66 Cb 0.10 -2.88 0.04 0.00 0.35 0.00 0.00 41.96 39.56 1pty s TYR 66 CO 0.12 0.29 0.34 -1.50 -1.34 0.00 0.00 175.55 173.46 1pty s ILE 67 N -0.20 -0.01 -1.13 3.14 2.07 -1.26 -4.91 121.20 118.90 1pty s ILE 67 Ca 0.41 0.03 -0.22 0.00 -1.41 0.00 0.00 60.65 59.46 1pty s ILE 67 Cb -0.22 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 41.89 1pty s ILE 67 CO 0.25 0.01 1.75 0.21 -1.91 0.00 0.00 174.94 175.26 1pty s ASN 68 N 0.51 6.02 -0.18 4.50 3.84 -1.26 -4.61 114.94 123.75 1pty s ASN 68 Ca -0.03 -1.69 -0.19 0.00 0.21 0.00 0.00 52.86 51.16 1pty s ASN 68 Cb -0.04 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.13 1pty s ASN 68 CO -0.03 -2.00 0.53 0.00 -2.79 0.00 0.00 177.10 172.82 1pty s ALA 69 N 7.10 -1.33 0.03 1.71 0.00 -1.26 -2.80 121.76 125.20 1pty s ALA 69 Ca 0.58 1.44 0.07 0.00 0.00 0.00 0.00 51.96 54.05 1pty s ALA 69 Cb -0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1pty s ALA 69 CO 0.03 -0.26 -0.20 -1.12 0.00 0.00 0.00 175.76 174.21 1pty s SER 70 N 0.11 2.43 -0.38 0.00 0.01 0.42 -1.29 113.70 115.00 1pty s SER 70 Ca -0.01 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 1pty s SER 70 Cb -0.04 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.98 1pty s SER 70 CO 0.01 0.18 0.52 -0.22 0.41 0.00 0.00 173.24 174.15 1pty s LEU 71 N -0.96 4.47 -0.59 2.44 2.96 0.06 -0.85 118.68 126.22 1pty s LEU 71 Ca 0.07 -0.21 -0.19 0.00 -0.22 0.00 0.00 54.13 53.58 1pty s LEU 71 Cb -0.08 -2.57 0.09 0.00 0.50 0.00 0.00 46.19 44.13 1pty s LEU 71 CO 0.01 -0.55 0.72 -0.63 -1.32 0.00 0.00 176.35 174.58 1pty s ILE 72 N 2.42 4.78 -0.53 6.68 -1.09 0.71 -4.87 121.20 129.30 1pty s ILE 72 Ca 0.18 -0.87 -0.17 0.00 -2.23 0.00 0.00 60.65 57.56 1pty s ILE 72 Cb -0.15 -4.49 0.11 0.00 -1.58 0.00 0.00 42.46 36.34 1pty s ILE 72 CO 0.14 -1.12 0.52 -0.75 -1.23 0.00 0.00 174.94 172.51 1pty s LYS 73 N 2.82 3.01 -0.84 2.79 2.20 -1.26 -1.38 119.74 127.08 1pty s LYS 73 Ca 0.13 -1.49 -0.20 0.00 -0.36 0.00 0.00 55.97 54.05 1pty s LYS 73 Cb -0.23 -4.24 0.11 0.00 -1.51 0.00 0.00 37.83 31.96 1pty s LYS 73 CO 0.07 -1.29 1.08 -1.64 -0.36 0.00 0.00 175.35 173.22 1pty s MET 74 N 1.89 3.43 0.12 4.03 -1.94 -0.10 -4.90 119.30 121.83 1pty s MET 74 Ca 0.06 -1.41 -0.24 0.00 -1.71 0.00 0.00 55.69 52.39 1pty s MET 74 Cb -0.27 -4.71 -0.05 0.00 2.01 0.00 0.00 34.83 31.81 1pty s MET 74 CO 0.05 -1.81 1.66 1.49 -0.01 0.00 0.00 175.02 176.41 1pty h GLU 75 N 9.14 -0.26 -0.32 2.03 4.81 -1.95 0.18 114.58 128.21 1pty h GLU 75 Ca 0.01 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1pty h GLU 75 Cb 1.04 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1pty h GLU 75 CO 1.15 -0.17 0.12 1.49 -0.73 0.00 0.00 179.01 180.87 1pty h GLU 76 N -0.27 0.48 0.00 1.92 4.81 -1.95 -2.68 114.58 116.89 1pty h GLU 76 Ca 0.07 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1pty h GLU 76 Cb 0.36 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1pty h GLU 76 CO -0.19 0.49 -0.03 0.00 -0.73 0.00 0.00 179.01 178.55 1pty h ALA 77 N 0.96 1.00 -5.01 2.92 0.00 -1.92 -3.48 119.26 113.73 1pty h ALA 77 Ca 0.11 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 1pty h ALA 77 Cb 0.20 -0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.10 1pty h ALA 77 CO -0.01 0.04 -0.58 1.04 0.00 0.00 0.00 179.25 179.74 1pty n GLN 78 N -3.12 -6.34 -3.87 0.00 6.02 0.62 -4.89 117.38 105.79 1pty n GLN 78 Ca 0.02 0.69 -0.12 0.00 -0.01 0.00 0.00 57.00 57.58 1pty n GLN 78 Cb 0.39 -5.30 -0.13 0.00 1.02 0.00 0.00 30.24 26.22 1pty n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1pty s ARG 79 N -5.85 0.10 0.14 -1.09 3.52 -1.07 -4.94 118.95 109.76 1pty s ARG 79 Ca 0.37 -0.02 0.08 0.00 -0.13 0.00 0.00 55.73 56.03 1pty s ARG 79 Cb -0.16 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 1pty s ARG 79 CO 0.60 -0.02 -0.19 -1.12 -0.81 0.00 0.00 175.30 173.77 1pty s SER 80 N -0.20 2.59 0.03 -2.12 0.01 -1.26 -0.92 113.70 111.83 1pty s SER 80 Ca -0.02 -0.79 -0.00 0.00 1.31 0.00 0.00 55.95 56.44 1pty s SER 80 Cb -0.02 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 1pty s SER 80 CO 0.00 -0.00 -0.03 -0.31 0.41 0.00 0.00 173.24 173.31 1pty s TYR 81 N -1.69 0.36 -0.26 2.43 1.51 -0.48 -4.12 117.35 115.10 1pty s TYR 81 Ca 0.12 -0.75 -0.04 0.00 -1.01 0.00 0.00 57.07 55.39 1pty s TYR 81 Cb -0.07 -0.27 0.02 0.00 -0.11 0.00 0.00 41.96 41.52 1pty s TYR 81 CO 0.05 -0.27 -0.00 0.42 -1.11 0.00 0.00 175.55 174.65 1pty s ILE 82 N -2.46 3.37 -0.21 2.71 1.01 -0.26 -0.21 121.20 125.15 1pty s ILE 82 Ca -0.07 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 1pty s ILE 82 Cb -0.03 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 1pty s ILE 82 CO -0.05 0.17 0.13 -0.76 0.00 0.00 0.00 174.94 174.43 1pty s LEU 83 N 1.41 4.17 0.07 2.97 1.02 -0.03 -0.15 118.68 128.14 1pty s LEU 83 Ca 0.02 0.20 -0.02 0.00 0.02 0.00 0.00 54.13 54.34 1pty s LEU 83 Cb -0.17 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.92 1pty s LEU 83 CO -0.01 0.16 0.02 0.28 0.02 0.00 0.00 176.35 176.81 1pty s THR 84 N 0.51 0.19 0.81 5.49 -1.32 -0.76 -0.44 115.64 120.13 1pty s THR 84 Ca 0.08 -1.72 -0.12 0.00 -1.21 0.00 0.00 61.69 58.72 1pty s THR 84 Cb -0.12 -1.55 0.08 0.00 -1.51 0.00 0.00 72.50 69.40 1pty s THR 84 CO -0.01 -0.88 1.12 0.00 -2.21 0.00 0.00 174.62 172.64 1pty s GLN 85 N -3.92 1.95 0.06 7.08 -2.07 -1.12 -3.70 119.66 117.93 1pty s GLN 85 Ca 0.09 0.47 -0.31 0.00 -1.82 0.00 0.00 55.36 53.78 1pty s GLN 85 Cb 0.07 -1.92 -0.07 0.00 -1.09 0.00 0.00 33.01 30.01 1pty s GLN 85 CO -0.09 -1.68 1.41 0.20 -1.32 0.00 0.00 175.29 173.82 1pty s GLY 86 N -4.08 1.90 0.49 2.60 0.00 0.19 -4.81 107.32 103.61 1pty s GLY 86 Ca 0.61 1.02 -0.21 0.00 0.00 0.00 0.00 44.72 46.14 1pty s GLY 86 CO 0.53 2.46 0.83 -1.05 0.00 0.00 0.00 173.10 175.87 1pty n PRO 87 N 4.72 0.95 -2.92 2.90 -0.02 -1.26 -4.69 135.00 134.68 1pty n PRO 87 Ca 0.13 0.35 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 1pty n PRO 87 Cb 0.43 -1.92 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1pty n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pty s LEU 88 N -0.28 3.54 0.48 2.45 1.43 -1.26 -1.09 118.68 123.95 1pty s LEU 88 Ca 0.67 -0.12 0.20 0.00 -1.03 0.00 0.00 54.13 53.86 1pty s LEU 88 Cb -0.51 -2.83 1.21 0.00 0.03 0.00 0.00 46.19 44.10 1pty s LEU 88 CO 0.54 -0.86 1.96 -0.65 0.23 0.00 0.00 176.35 177.57 1pty h PRO 89 N 0.41 0.21 -0.01 1.29 0.11 -1.96 -1.05 132.00 130.99 1pty h PRO 89 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pty h PRO 89 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1pty h PRO 89 CO 0.51 0.14 -0.29 0.27 -0.21 0.00 0.00 178.00 178.42 1pty n ASN 90 N -4.43 1.63 -0.36 -2.05 6.94 -1.26 -4.28 115.26 111.45 1pty n ASN 90 Ca 0.12 -1.29 0.04 0.00 -0.02 0.00 0.00 54.58 53.43 1pty n ASN 90 Cb 0.56 0.23 0.10 0.00 -2.36 0.00 0.00 39.78 38.32 1pty n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1pty n THR 91 N -0.14 1.26 0.01 5.53 -2.24 -0.41 -4.63 114.28 113.65 1pty n THR 91 Ca 0.12 -1.25 -0.04 0.00 -2.27 0.00 0.00 64.05 60.61 1pty n THR 91 Cb 0.42 0.33 0.18 0.00 -2.10 0.00 0.00 70.33 69.15 1pty n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pty h GLY 93 N 1.03 0.96 1.17 0.00 0.00 -1.90 -2.34 103.07 102.00 1pty h GLY 93 Ca 0.06 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 1pty h GLY 93 CO 0.06 0.78 0.05 0.45 0.00 0.00 0.00 176.54 177.87 1pty h HIS 94 N 0.76 1.08 -0.04 5.60 3.86 -1.74 -1.14 115.15 123.53 1pty h HIS 94 Ca 0.10 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1pty h HIS 94 Cb 0.80 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1pty h HIS 94 CO 0.05 0.94 0.03 0.35 0.86 0.00 0.00 177.93 180.15 1pty h PHE 95 N 0.94 0.05 0.00 2.45 3.04 -0.78 -0.48 116.94 122.16 1pty h PHE 95 Ca 0.18 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.02 1pty h PHE 95 Cb 0.48 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1pty h PHE 95 CO 0.03 0.03 -0.51 -1.49 -2.02 0.00 0.00 178.31 174.36 1pty h TRP 96 N 0.05 0.00 -0.53 0.41 4.06 -1.35 -1.60 115.95 116.99 1pty h TRP 96 Ca 0.01 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 1pty h TRP 96 Cb -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 1pty h TRP 96 CO -0.08 0.51 0.17 1.49 -3.56 0.00 0.00 178.44 176.97 1pty h GLU 97 N 0.00 0.83 -0.24 0.49 4.81 -0.89 -0.03 114.58 119.54 1pty h GLU 97 Ca -0.01 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1pty h GLU 97 Cb 0.96 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1pty h GLU 97 CO 0.07 0.76 0.12 1.98 -0.73 0.00 0.00 179.01 181.21 1pty h MET 98 N 0.74 0.35 -0.64 1.92 4.05 -0.72 0.11 114.93 120.74 1pty h MET 98 Ca 0.17 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.59 1pty h MET 98 Cb 0.28 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 1pty h MET 98 CO -0.01 0.35 0.36 0.28 0.23 0.00 0.00 176.91 178.12 1pty h VAL 99 N 0.27 0.98 0.64 -5.77 2.07 -1.00 0.95 116.25 114.38 1pty h VAL 99 Ca 0.08 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1pty h VAL 99 Cb 0.11 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1pty h VAL 99 CO -0.01 0.12 -0.31 -0.25 0.02 0.00 0.00 177.57 177.14 1pty h TRP 100 N 0.67 -0.80 -0.32 1.57 2.91 -0.68 -2.35 115.95 116.94 1pty h TRP 100 Ca 0.28 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1pty h TRP 100 Cb 0.15 0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 29.05 1pty h TRP 100 CO -0.08 -0.46 0.21 0.93 -1.03 0.00 0.00 178.44 178.02 1pty h GLU 101 N -1.06 0.43 -0.01 2.65 5.08 -0.57 -1.73 114.58 119.36 1pty h GLU 101 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1pty h GLU 101 Cb 0.71 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1pty h GLU 101 CO 0.15 0.28 -0.06 1.04 -1.00 0.00 0.00 179.01 179.42 1pty n GLN 102 N -4.49 1.25 -2.97 2.33 1.13 0.31 -4.95 117.38 109.99 1pty n GLN 102 Ca 0.02 -0.60 -0.22 0.00 -1.94 0.00 0.00 57.00 54.26 1pty n GLN 102 Cb 0.07 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 28.96 1pty n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pty n LYS 103 N -0.36 -4.67 -2.28 -1.09 5.02 -0.65 -4.07 118.16 110.06 1pty n LYS 103 Ca 0.18 0.93 -0.38 0.00 -2.02 0.00 0.00 58.31 57.02 1pty n LYS 103 Cb 0.30 -5.78 -0.02 0.00 -0.02 0.00 0.00 35.03 29.51 1pty n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pty s SER 104 N -2.65 6.41 -0.15 4.39 0.01 -0.93 -0.46 113.70 120.33 1pty s SER 104 Ca 0.28 2.33 0.16 0.00 1.31 0.00 0.00 55.95 60.03 1pty s SER 104 Cb -0.12 -2.61 -0.23 0.00 0.21 0.00 0.00 66.02 63.27 1pty s SER 104 CO 0.35 -0.75 0.12 -1.14 0.41 0.00 0.00 173.24 172.22 1pty n ARG 105 N -0.11 1.08 -4.20 12.44 3.00 -1.26 -4.87 116.66 122.73 1pty n ARG 105 Ca 0.05 -0.04 -0.15 0.00 -0.00 0.00 0.00 57.85 57.72 1pty n ARG 105 Cb 0.47 -1.44 -0.11 0.00 0.00 0.00 0.00 32.46 31.38 1pty n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1pty s GLY 106 N -4.95 0.92 -0.10 5.14 0.00 -1.26 -1.14 107.32 105.94 1pty s GLY 106 Ca -0.08 -1.26 -0.00 0.00 0.00 0.00 0.00 44.72 43.38 1pty s GLY 106 CO 0.72 -1.33 -0.07 0.14 0.00 0.00 0.00 173.10 172.56 1pty s VAL 107 N -2.55 0.91 -0.31 1.40 1.01 0.03 -1.92 120.40 118.97 1pty s VAL 107 Ca 0.08 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1pty s VAL 107 Cb -0.02 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1pty s VAL 107 CO 0.01 0.34 0.13 -0.69 0.00 0.00 0.00 175.10 174.89 1pty s VAL 108 N 1.65 4.40 -0.25 2.92 1.01 0.73 -0.69 120.40 130.17 1pty s VAL 108 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1pty s VAL 108 Cb -0.13 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1pty s VAL 108 CO -0.07 0.06 0.03 -0.32 0.00 0.00 0.00 175.10 174.80 1pty s MET 109 N 1.57 3.40 -0.05 2.72 0.00 0.31 -0.71 119.30 126.55 1pty s MET 109 Ca 0.04 -0.63 0.17 0.00 0.00 0.00 0.00 55.69 55.26 1pty s MET 109 Cb -0.17 -3.23 0.53 0.00 0.00 0.00 0.00 34.83 31.97 1pty s MET 109 CO 0.05 -0.26 1.45 1.28 0.00 0.00 0.00 175.02 177.54 1pty n LEU 110 N 4.86 3.79 -4.46 4.11 4.77 -0.21 -0.79 117.00 129.08 1pty n LEU 110 Ca -0.16 -2.21 -0.25 0.00 -0.03 0.00 0.00 56.01 53.36 1pty n LEU 110 Cb 0.50 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1pty n LEU 110 CO 0.30 0.82 -0.16 0.54 -1.33 0.00 0.00 177.39 177.57 1pty s ASN 111 N -1.07 2.59 0.23 -1.43 4.22 -1.25 -4.59 114.94 113.66 1pty s ASN 111 Ca 0.40 -1.75 0.09 0.00 -2.14 0.00 0.00 52.86 49.47 1pty s ASN 111 Cb 0.23 0.60 -0.04 0.00 1.28 0.00 0.00 41.25 43.32 1pty s ASN 111 CO 0.23 -1.01 -0.05 -0.13 -2.04 0.00 0.00 177.10 174.09 1pty s ARG 112 N -3.59 2.17 0.24 3.55 0.52 -1.26 -4.79 118.95 115.79 1pty s ARG 112 Ca 0.27 -1.38 -0.06 0.00 -0.52 0.00 0.00 55.73 54.03 1pty s ARG 112 Cb 0.02 -2.13 0.25 0.00 0.52 0.00 0.00 34.95 33.60 1pty s ARG 112 CO 0.19 0.39 1.92 0.28 0.02 0.00 0.00 175.30 178.09 1pty h VAL 113 N 2.24 1.24 -3.24 3.52 2.07 -1.93 -3.40 116.25 116.74 1pty h VAL 113 Ca -0.45 -0.45 -0.67 0.00 0.82 0.00 0.00 66.70 65.95 1pty h VAL 113 Cb 1.23 -0.18 -0.34 0.00 -1.52 0.00 0.00 31.29 30.49 1pty h VAL 113 CO 0.58 0.24 -0.87 -0.32 0.02 0.00 0.00 177.57 177.22 1pty s MET 114 N -6.12 3.02 -0.01 1.57 -2.45 -1.26 -1.04 119.30 113.01 1pty s MET 114 Ca -0.13 -0.86 0.00 0.00 -1.25 0.00 0.00 55.69 53.46 1pty s MET 114 Cb 0.18 -2.39 0.01 0.00 1.25 0.00 0.00 34.83 33.87 1pty s MET 114 CO 0.81 0.03 -0.01 -1.21 1.05 0.00 0.00 175.02 175.70 1pty s GLU 115 N 0.70 0.16 -1.55 4.11 2.02 -0.37 -4.85 118.70 118.92 1pty s GLU 115 Ca -0.10 -0.01 -0.14 0.00 0.02 0.00 0.00 54.97 54.74 1pty s GLU 115 Cb -0.16 -0.22 0.09 0.00 0.10 0.00 0.00 34.13 33.94 1pty s GLU 115 CO 0.01 -0.01 0.93 1.63 0.02 0.00 0.00 175.26 177.83 1pty n LYS 116 N 3.36 -5.10 -1.08 1.61 5.02 -1.26 -1.10 118.16 119.61 1pty n LYS 116 Ca -0.17 0.56 -0.03 0.00 -2.02 0.00 0.00 58.31 56.65 1pty n LYS 116 Cb 0.57 -5.39 -0.01 0.00 -0.02 0.00 0.00 35.03 30.17 1pty n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pty n GLY 117 N -1.65 0.44 3.21 0.72 0.00 -1.26 -4.99 105.19 101.66 1pty n GLY 117 Ca 0.02 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1pty n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pty s SER 118 N -2.18 1.97 -0.61 1.61 0.15 -0.26 -5.10 113.70 109.28 1pty s SER 118 Ca 0.00 -0.62 -0.27 0.00 0.70 0.00 0.00 55.95 55.76 1pty s SER 118 Cb 0.00 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1pty s SER 118 CO 0.00 -0.02 1.14 -0.76 1.20 0.00 0.00 173.24 174.80 1pty s LEU 119 N -1.73 3.59 0.00 3.45 2.01 -1.26 -1.24 118.68 123.51 1pty s LEU 119 Ca 0.01 -0.18 0.26 0.00 0.01 0.00 0.00 54.13 54.23 1pty s LEU 119 Cb -0.10 -2.92 0.66 0.00 0.01 0.00 0.00 46.19 43.85 1pty s LEU 119 CO 0.03 -1.50 1.51 0.29 1.01 0.00 0.00 176.35 177.69 1pty n LYS 120 N 8.37 1.29 -3.62 1.70 4.76 -0.20 -4.93 118.16 125.54 1pty n LYS 120 Ca 0.05 -0.86 -0.09 0.00 -2.87 0.00 0.00 58.31 54.55 1pty n LYS 120 Cb 0.48 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 32.13 1pty n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pty s ALA 122 N -0.29 2.83 -1.17 0.00 0.00 -0.25 -4.65 121.76 118.24 1pty s ALA 122 Ca 0.02 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.85 1pty s ALA 122 Cb -0.03 -3.15 0.07 0.00 0.00 0.00 0.00 23.12 20.01 1pty s ALA 122 CO -0.05 -0.97 1.57 -1.14 0.00 0.00 0.00 175.76 175.17 1pty s GLN 123 N -4.95 3.82 0.00 0.00 2.00 -1.26 -4.79 119.66 114.48 1pty s GLN 123 Ca 0.58 -1.69 0.29 0.00 -2.00 0.00 0.00 55.36 52.53 1pty s GLN 123 Cb -0.13 -5.40 1.19 0.00 0.80 0.00 0.00 33.01 29.47 1pty s GLN 123 CO 0.52 -2.18 1.83 2.48 -0.50 0.00 0.00 175.29 177.44 1pty n TYR 124 N 8.29 0.00 -4.16 1.67 0.18 -1.26 -4.88 117.16 117.00 1pty n TYR 124 Ca 0.41 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 60.04 1pty n TYR 124 Cb 0.48 -0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 39.30 1pty n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1pty s TRP 125 N -2.09 1.03 0.18 -3.48 -2.14 -1.26 -5.05 118.94 106.12 1pty s TRP 125 Ca 0.38 -0.61 -0.30 0.00 2.66 0.00 0.00 56.10 58.23 1pty s TRP 125 Cb 0.21 -0.57 -0.08 0.00 -3.10 0.00 0.00 33.47 29.93 1pty s TRP 125 CO 0.37 -0.00 1.24 -1.25 -2.66 0.00 0.00 176.95 174.65 1pty s PRO 126 N -2.48 4.44 0.09 3.25 0.04 -1.26 -4.94 135.00 134.14 1pty s PRO 126 Ca 0.02 1.94 0.25 0.00 0.04 0.00 0.00 61.00 63.25 1pty s PRO 126 Cb -0.05 -3.23 0.43 0.00 0.04 0.00 0.00 34.50 31.69 1pty s PRO 126 CO 0.00 -0.18 1.38 1.04 0.04 0.00 0.00 177.00 179.29 1pty n GLN 127 N 2.73 0.21 -4.25 4.56 6.02 -1.26 -4.65 117.38 120.74 1pty n GLN 127 Ca 0.06 0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.92 1pty n GLN 127 Cb 0.44 -1.63 -0.16 0.00 1.02 0.00 0.00 30.24 29.91 1pty n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1pty s LYS 128 N -3.12 0.83 0.25 -1.09 1.02 -1.26 -5.04 119.74 111.32 1pty s LYS 128 Ca 0.08 -0.19 -0.04 0.00 0.02 0.00 0.00 55.97 55.84 1pty s LYS 128 Cb 0.15 -0.80 0.51 0.00 -0.52 0.00 0.00 37.83 37.17 1pty s LYS 128 CO 0.71 0.02 1.69 0.93 -0.92 0.00 0.00 175.35 177.77 1pty h GLU 129 N 6.73 0.28 0.00 1.68 3.07 -1.89 -1.26 114.58 123.19 1pty h GLU 129 Ca -0.35 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 1pty h GLU 129 Cb 1.17 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1pty h GLU 129 CO 0.48 0.18 0.00 -0.85 -1.40 0.00 0.00 179.01 177.43 1pty n GLU 130 N -5.14 0.59 -3.65 2.33 0.00 -1.26 -4.15 120.64 109.36 1pty n GLU 130 Ca 0.16 0.02 -0.27 0.00 0.00 0.00 0.00 57.16 57.06 1pty n GLU 130 Cb 0.49 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.33 1pty n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pty n LYS 131 N -1.17 1.86 -1.26 3.44 5.02 -0.47 -5.10 118.16 120.48 1pty n LYS 131 Ca 0.16 -4.36 -0.30 0.00 -2.02 0.00 0.00 58.31 51.79 1pty n LYS 131 Cb 0.17 -2.16 0.11 0.00 -0.02 0.00 0.00 35.03 33.13 1pty n LYS 131 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1pty s GLU 132 N -1.66 1.76 -0.06 1.97 1.03 -1.26 -4.60 118.70 115.88 1pty s GLU 132 Ca 0.31 0.95 0.03 0.00 0.03 0.00 0.00 54.97 56.30 1pty s GLU 132 Cb 0.04 -1.86 -0.03 0.00 -0.80 0.00 0.00 34.13 31.49 1pty s GLU 132 CO -0.12 -1.93 -0.13 -1.64 -1.33 0.00 0.00 175.26 170.11 1pty s MET 133 N -4.94 2.58 -0.15 -4.83 -1.94 0.41 -4.96 119.30 105.47 1pty s MET 133 Ca 0.62 -0.67 0.02 0.00 -1.71 0.00 0.00 55.69 53.95 1pty s MET 133 Cb -0.17 -2.43 0.02 0.00 2.01 0.00 0.00 34.83 34.26 1pty s MET 133 CO 0.56 0.61 -0.19 0.42 -0.01 0.00 0.00 175.02 176.41 1pty s ILE 134 N -0.70 1.93 -0.64 2.53 1.01 -1.26 -0.14 121.20 123.93 1pty s ILE 134 Ca 0.11 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 1pty s ILE 134 Cb -0.11 -1.73 0.15 0.00 0.01 0.00 0.00 42.46 40.78 1pty s ILE 134 CO 0.01 0.52 0.63 -0.36 0.00 0.00 0.00 174.94 175.74 1pty s PHE 135 N 1.09 3.36 0.22 3.97 0.08 -0.07 -4.94 117.98 121.68 1pty s PHE 135 Ca -0.01 -1.45 -0.09 0.00 0.12 0.00 0.00 56.93 55.50 1pty s PHE 135 Cb -0.14 -3.85 0.24 0.00 -0.57 0.00 0.00 43.02 38.69 1pty s PHE 135 CO -0.07 -1.07 1.84 0.93 -0.10 0.00 0.00 175.22 176.76 1pty h GLU 136 N 8.61 0.83 -0.37 0.44 5.08 -1.97 -0.51 114.58 126.69 1pty h GLU 136 Ca -0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1pty h GLU 136 Cb 1.08 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1pty h GLU 136 CO 0.97 0.55 0.17 0.38 -1.00 0.00 0.00 179.01 180.07 1pty h ASP 137 N 0.85 0.46 -0.15 1.42 2.03 -1.97 -3.05 116.42 116.01 1pty h ASP 137 Ca 0.31 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1pty h ASP 137 Cb 0.09 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1pty h ASP 137 CO -0.14 0.40 0.00 0.35 -1.03 0.00 0.00 179.24 178.82 1pty n THR 138 N -4.41 0.32 -3.56 1.15 -2.24 -1.12 -5.01 114.28 99.40 1pty n THR 138 Ca 0.02 -0.66 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 1pty n THR 138 Cb 0.12 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1pty n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pty n ASN 139 N 0.75 -2.68 -4.15 3.42 5.15 -0.23 -4.92 115.26 112.61 1pty n ASN 139 Ca 0.10 -0.77 -0.21 0.00 -0.60 0.00 0.00 54.58 53.10 1pty n ASN 139 Cb 0.38 -4.43 -0.13 0.00 -0.53 0.00 0.00 39.78 35.06 1pty n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1pty s LEU 140 N -6.37 2.16 0.01 1.20 1.43 -1.05 -1.12 118.68 114.95 1pty s LEU 140 Ca 0.12 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1pty s LEU 140 Cb -0.03 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1pty s LEU 140 CO 0.79 0.05 -0.21 -0.75 0.23 0.00 0.00 176.35 176.46 1pty s LYS 141 N -1.10 2.08 -0.05 1.70 2.20 0.20 -0.90 119.74 123.87 1pty s LYS 141 Ca 0.02 -0.96 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1pty s LYS 141 Cb -0.08 -2.14 0.02 0.00 -1.51 0.00 0.00 37.83 34.13 1pty s LYS 141 CO 0.01 0.55 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.35 1pty s LEU 142 N -1.10 1.12 -0.04 5.43 2.96 0.81 -0.40 118.68 127.46 1pty s LEU 142 Ca 0.12 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1pty s LEU 142 Cb -0.10 -0.46 -0.00 0.00 0.50 0.00 0.00 46.19 46.13 1pty s LEU 142 CO 0.02 -0.09 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.91 1pty s THR 143 N 1.23 1.32 -0.12 3.68 2.01 -0.43 -0.44 115.64 122.89 1pty s THR 143 Ca -0.06 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 1pty s THR 143 Cb -0.14 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1pty s THR 143 CO -0.02 0.39 1.17 -0.22 -0.69 0.00 0.00 174.62 175.25 1pty s LEU 144 N 0.12 4.22 -0.21 4.42 2.96 -1.26 -0.48 118.68 128.45 1pty s LEU 144 Ca -0.05 1.68 -0.08 0.00 -0.22 0.00 0.00 54.13 55.47 1pty s LEU 144 Cb -0.12 -3.55 -0.20 0.00 0.50 0.00 0.00 46.19 42.83 1pty s LEU 144 CO 0.02 -0.63 0.03 -0.38 -1.32 0.00 0.00 176.35 174.07 1pty n ILE 145 N 4.93 1.61 -3.64 6.68 2.08 0.65 -4.36 119.36 127.31 1pty n ILE 145 Ca 0.12 -0.48 -0.09 0.00 0.56 0.00 0.00 62.75 62.86 1pty n ILE 145 Cb 0.46 -1.71 -0.02 0.00 -0.75 0.00 0.00 39.64 37.62 1pty n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1pty s SER 146 N -6.93 -0.37 -0.09 4.38 1.04 -1.08 -4.99 113.70 105.67 1pty s SER 146 Ca -0.30 -0.28 -0.07 0.00 0.48 0.00 0.00 55.95 55.78 1pty s SER 146 Cb 0.09 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.85 1pty s SER 146 CO 0.64 -1.06 0.23 -0.70 0.98 0.00 0.00 173.24 173.33 1pty s GLU 147 N -3.67 0.23 -0.32 4.02 2.12 -1.26 -1.07 118.70 118.74 1pty s GLU 147 Ca 0.07 0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.82 1pty s GLU 147 Cb -0.03 0.02 0.10 0.00 0.26 0.00 0.00 34.13 34.48 1pty s GLU 147 CO -0.03 -0.09 0.05 0.34 -0.54 0.00 0.00 175.26 175.00 1pty s ASP 148 N 0.58 4.51 -0.29 -1.70 2.15 0.55 -4.99 116.67 117.48 1pty s ASP 148 Ca -0.04 -1.94 -0.22 0.00 0.43 0.00 0.00 52.55 50.78 1pty s ASP 148 Cb -0.05 -1.39 -0.01 0.00 -0.30 0.00 0.00 42.92 41.17 1pty s ASP 148 CO -0.03 -0.38 0.71 -0.63 -0.17 0.00 0.00 175.17 174.67 1pty s ILE 149 N 1.13 4.88 0.47 4.11 1.01 -1.26 -1.24 121.20 130.30 1pty s ILE 149 Ca 0.09 1.10 0.05 0.00 0.00 0.00 0.00 60.65 61.90 1pty s ILE 149 Cb -0.19 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.28 1pty s ILE 149 CO -0.13 -0.14 0.44 0.29 0.00 0.00 0.00 174.94 175.40 1pty n LYS 150 N 5.98 0.76 -0.25 2.79 4.76 0.01 -4.87 118.16 127.35 1pty n LYS 150 Ca 0.01 -2.83 -0.07 0.00 -2.87 0.00 0.00 58.31 52.55 1pty n LYS 150 Cb 0.48 0.17 0.04 0.00 -1.84 0.00 0.00 35.03 33.88 1pty n LYS 150 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1pty h SER 151 N 0.42 0.99 0.00 4.39 4.64 -0.49 -3.33 113.55 120.17 1pty h SER 151 Ca -0.28 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1pty h SER 151 Cb 1.07 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1pty h SER 151 CO 0.42 0.93 0.00 0.00 -0.87 0.00 0.00 176.83 177.31 1pty n TYR 152 N -4.33 0.00 -3.51 4.77 4.11 -1.26 -4.98 117.16 111.97 1pty n TYR 152 Ca 0.05 -0.25 -0.14 0.00 -0.00 0.00 0.00 57.90 57.56 1pty n TYR 152 Cb 0.21 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.34 39.49 1pty n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1pty s TYR 153 N -0.50 -0.52 -0.01 -3.48 -0.85 -1.25 -0.69 117.35 110.05 1pty s TYR 153 Ca 0.00 0.56 0.03 0.00 -0.52 0.00 0.00 57.07 57.13 1pty s TYR 153 Cb 0.00 0.44 -0.00 0.00 0.38 0.00 0.00 41.96 42.77 1pty s TYR 153 CO 0.00 -0.71 -0.08 0.99 -1.52 0.00 0.00 175.55 174.22 1pty s THR 154 N -2.67 0.68 -0.14 -3.49 2.01 0.11 -0.81 115.64 111.32 1pty s THR 154 Ca -0.04 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1pty s THR 154 Cb -0.01 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 1pty s THR 154 CO -0.03 0.20 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.30 1pty s VAL 155 N -0.08 3.26 0.08 3.82 1.01 -0.38 -0.60 120.40 127.51 1pty s VAL 155 Ca 0.01 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1pty s VAL 155 Cb -0.05 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1pty s VAL 155 CO -0.00 0.51 -0.22 -0.13 0.00 0.00 0.00 175.10 175.26 1pty s ARG 156 N 0.41 1.30 -0.20 2.72 0.52 0.39 -0.33 118.95 123.76 1pty s ARG 156 Ca -0.08 -1.11 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 1pty s ARG 156 Cb -0.15 -1.55 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 1pty s ARG 156 CO 0.05 0.38 -0.03 -1.14 0.02 0.00 0.00 175.30 174.57 1pty s GLN 157 N -1.63 3.49 0.20 3.54 0.74 -0.24 -0.30 119.66 125.47 1pty s GLN 157 Ca 0.08 -0.58 0.11 0.00 0.05 0.00 0.00 55.36 55.03 1pty s GLN 157 Cb -0.10 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 1pty s GLN 157 CO 0.03 -0.07 -0.24 -0.51 -0.55 0.00 0.00 175.29 173.96 1pty s LEU 158 N 1.17 2.44 -0.21 3.68 1.43 0.47 -0.25 118.68 127.41 1pty s LEU 158 Ca 0.02 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1pty s LEU 158 Cb -0.14 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 44.94 1pty s LEU 158 CO 0.00 0.12 -0.13 -0.70 0.23 0.00 0.00 176.35 175.86 1pty s GLU 159 N -2.71 2.88 -0.22 1.70 2.12 0.37 -0.99 118.70 121.84 1pty s GLU 159 Ca 0.21 -0.92 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 1pty s GLU 159 Cb -0.08 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1pty s GLU 159 CO 0.10 -0.31 0.12 -1.17 -0.54 0.00 0.00 175.26 173.46 1pty s LEU 160 N 1.29 3.92 -0.09 2.70 2.96 0.30 -1.32 118.68 128.44 1pty s LEU 160 Ca 0.02 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1pty s LEU 160 Cb -0.15 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1pty s LEU 160 CO -0.09 0.08 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.13 1pty s GLU 161 N 0.95 2.58 -0.60 1.98 2.12 0.47 -0.62 118.70 125.58 1pty s GLU 161 Ca 0.06 -0.71 -0.26 0.00 0.36 0.00 0.00 54.97 54.42 1pty s GLU 161 Cb -0.13 -2.00 0.04 0.00 0.26 0.00 0.00 34.13 32.30 1pty s GLU 161 CO 0.03 0.11 1.08 1.21 -0.54 0.00 0.00 175.26 177.15 1pty s ASN 162 N 0.49 6.33 0.54 -1.70 3.84 -0.54 -0.63 114.94 123.27 1pty s ASN 162 Ca -0.17 -0.28 0.23 0.00 0.21 0.00 0.00 52.86 52.85 1pty s ASN 162 Cb -0.17 -2.49 1.52 0.00 -0.55 0.00 0.00 41.25 39.56 1pty s ASN 162 CO 0.07 -1.42 2.17 -0.07 -2.79 0.00 0.00 177.10 175.06 1pty h LEU 163 N 11.63 0.00 -0.52 3.21 3.38 -1.43 0.44 115.31 132.02 1pty h LEU 163 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1pty h LEU 163 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1pty h LEU 163 CO 1.16 0.03 0.09 0.74 0.09 0.00 0.00 178.44 180.55 1pty h THR 164 N 0.00 1.25 -0.00 0.22 2.02 -1.90 -3.30 112.91 111.20 1pty h THR 164 Ca -0.00 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1pty h THR 164 Cb 0.07 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1pty h THR 164 CO 0.00 0.34 -0.52 0.35 0.37 0.00 0.00 175.52 176.06 1pty n THR 165 N -4.39 0.00 -0.95 3.16 -2.24 -1.04 -4.99 114.28 103.83 1pty n THR 165 Ca 0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1pty n THR 165 Cb 0.26 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1pty n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pty n GLN 166 N -1.07 -0.82 -2.64 -0.78 1.13 0.15 -4.99 117.38 108.37 1pty n GLN 166 Ca 0.03 0.21 -0.38 0.00 -1.94 0.00 0.00 57.00 54.92 1pty n GLN 166 Cb 0.21 -3.93 -0.05 0.00 0.11 0.00 0.00 30.24 26.58 1pty n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1pty s GLU 167 N -0.92 4.51 0.17 -1.09 2.12 -1.22 -4.85 118.70 117.41 1pty s GLU 167 Ca 0.00 1.51 0.10 0.00 0.36 0.00 0.00 54.97 56.93 1pty s GLU 167 Cb 0.00 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 1pty s GLU 167 CO 0.00 0.17 -0.20 0.95 -0.54 0.00 0.00 175.26 175.64 1pty s THR 168 N -1.47 2.01 -0.00 -1.70 -4.23 -1.26 -1.46 115.64 107.52 1pty s THR 168 Ca 0.50 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.99 1pty s THR 168 Cb -0.24 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1pty s THR 168 CO 0.30 -0.24 0.13 -0.13 -0.54 0.00 0.00 174.62 174.14 1pty s ARG 169 N -2.73 0.45 -0.19 3.99 0.52 0.21 -4.99 118.95 116.21 1pty s ARG 169 Ca 0.17 -0.36 -0.17 0.00 -0.52 0.00 0.00 55.73 54.86 1pty s ARG 169 Cb -0.07 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.55 1pty s ARG 169 CO 0.08 -0.10 0.46 -2.00 0.02 0.00 0.00 175.30 173.75 1pty s GLU 170 N -1.26 4.20 -0.11 3.54 2.12 -1.26 -0.54 118.70 125.40 1pty s GLU 170 Ca -0.13 0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.53 1pty s GLU 170 Cb -0.07 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 1pty s GLU 170 CO 0.01 -0.06 -0.15 0.42 -0.54 0.00 0.00 175.26 174.95 1pty s ILE 171 N 1.35 2.93 -0.18 -3.70 -1.09 -0.16 -4.86 121.20 115.49 1pty s ILE 171 Ca 0.22 -0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 57.82 1pty s ILE 171 Cb -0.15 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.48 1pty s ILE 171 CO 0.09 0.54 0.14 -0.76 -1.23 0.00 0.00 174.94 173.72 1pty s LEU 172 N 0.11 4.25 -0.22 2.97 1.43 -0.29 -0.39 118.68 126.55 1pty s LEU 172 Ca -0.07 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1pty s LEU 172 Cb -0.15 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1pty s LEU 172 CO 0.05 0.23 -0.05 -2.28 0.23 0.00 0.00 176.35 174.53 1pty s HIS 173 N 0.03 2.95 -0.34 0.29 2.46 0.59 -0.79 115.29 120.49 1pty s HIS 173 Ca 0.10 -0.97 -0.06 0.00 0.47 0.00 0.00 55.06 54.60 1pty s HIS 173 Cb -0.11 -2.09 0.04 0.00 -0.13 0.00 0.00 32.58 30.29 1pty s HIS 173 CO -0.00 -0.56 0.10 -0.06 -2.47 0.00 0.00 174.74 171.75 1pty s PHE 174 N 1.45 3.26 -0.36 3.88 0.08 0.14 -0.46 117.98 125.97 1pty s PHE 174 Ca 0.06 -1.49 -0.05 0.00 0.12 0.00 0.00 56.93 55.57 1pty s PHE 174 Cb -0.14 -2.29 0.07 0.00 -0.57 0.00 0.00 43.02 40.09 1pty s PHE 174 CO -0.04 -0.74 0.14 -1.58 -0.10 0.00 0.00 175.22 172.90 1pty s HIS 175 N 1.38 3.37 -0.38 0.36 2.46 0.23 -0.53 115.29 122.18 1pty s HIS 175 Ca -0.02 -1.85 -0.26 0.00 0.47 0.00 0.00 55.06 53.40 1pty s HIS 175 Cb -0.20 -2.65 0.02 0.00 -0.13 0.00 0.00 32.58 29.62 1pty s HIS 175 CO 0.02 -0.84 0.95 -0.47 -2.47 0.00 0.00 174.74 171.93 1pty s TYR 176 N 1.29 3.04 -2.40 3.88 6.14 0.03 -0.72 117.35 128.62 1pty s TYR 176 Ca 0.01 0.74 0.24 0.00 0.64 0.00 0.00 57.07 58.70 1pty s TYR 176 Cb -0.21 -3.75 0.20 0.00 0.42 0.00 0.00 41.96 38.62 1pty s TYR 176 CO -0.00 -0.89 1.24 0.25 0.64 0.00 0.00 175.55 176.78 1pty n THR 177 N 6.09 0.00 -1.87 4.34 -2.24 0.13 -3.79 114.28 116.94 1pty n THR 177 Ca 0.08 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.51 1pty n THR 177 Cb 0.48 1.22 0.14 0.00 -2.10 0.00 0.00 70.33 70.07 1pty n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pty n THR 178 N 0.45 1.95 -3.81 4.28 -2.24 -1.22 -4.85 114.28 108.85 1pty n THR 178 Ca 0.12 -3.16 -0.36 0.00 -2.27 0.00 0.00 64.05 58.38 1pty n THR 178 Cb 0.50 -0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.40 1pty n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pty s TRP 179 N -2.93 3.48 0.44 4.78 -0.11 -1.26 -4.71 118.94 118.64 1pty s TRP 179 Ca 0.40 -2.19 -0.24 0.00 1.22 0.00 0.00 56.10 55.29 1pty s TRP 179 Cb 0.38 -2.87 -0.08 0.00 -1.50 0.00 0.00 33.47 29.40 1pty s TRP 179 CO -0.06 -0.91 1.19 -1.25 -4.62 0.00 0.00 176.95 171.30 1pty s PRO 180 N 1.19 3.83 0.44 5.86 0.04 -1.26 -4.74 135.00 140.36 1pty s PRO 180 Ca 0.04 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 62.69 1pty s PRO 180 Cb -0.22 -2.51 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 1pty s PRO 180 CO -0.03 -0.51 1.30 0.16 0.04 0.00 0.00 177.00 177.96 1pty s ASP 181 N -1.21 6.09 -1.76 6.66 -4.77 -1.26 -1.46 116.67 118.96 1pty s ASP 181 Ca 0.61 2.64 0.00 0.00 -3.30 0.00 0.00 52.55 52.50 1pty s ASP 181 Cb -0.31 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 38.89 1pty s ASP 181 CO 0.38 -1.00 0.00 0.49 0.70 0.00 0.00 175.17 175.74 1pty n PHE 182 N -0.17 -0.05 -4.37 2.11 3.72 -1.26 -4.95 117.46 112.48 1pty n PHE 182 Ca 0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 1pty n PHE 182 Cb 0.44 -2.93 -0.04 0.00 -0.94 0.00 0.00 39.48 36.00 1pty n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pty n GLY 183 N -0.92 3.64 3.40 1.37 0.00 -0.53 -4.96 105.19 107.19 1pty n GLY 183 Ca -0.17 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.51 1pty n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pty s VAL 184 N -2.39 1.90 0.90 1.61 -7.23 -1.26 -4.82 120.40 109.11 1pty s VAL 184 Ca 0.09 -2.24 -0.10 0.00 -1.81 0.00 0.00 61.98 57.91 1pty s VAL 184 Cb 0.00 -2.20 0.13 0.00 0.56 0.00 0.00 36.38 34.88 1pty s VAL 184 CO 0.06 -0.48 1.12 -2.84 -0.31 0.00 0.00 175.10 172.65 1pty s PRO 185 N -3.63 1.18 0.48 4.82 0.02 -1.26 -4.67 135.00 131.94 1pty s PRO 185 Ca 0.26 1.35 0.20 0.00 0.02 0.00 0.00 61.00 62.83 1pty s PRO 185 Cb -0.01 -1.76 1.23 0.00 0.02 0.00 0.00 34.50 33.99 1pty s PRO 185 CO 0.10 -2.45 1.97 1.05 -0.33 0.00 0.00 177.00 177.34 1pty h GLU 186 N -1.73 0.18 -2.39 5.54 9.09 -1.99 -3.45 114.58 119.85 1pty h GLU 186 Ca -0.45 -0.01 0.08 0.00 0.05 0.00 0.00 59.36 59.03 1pty h GLU 186 Cb 1.27 -0.04 -0.15 0.00 -1.65 0.00 0.00 28.75 28.17 1pty h GLU 186 CO 0.46 0.12 0.43 -1.54 0.05 0.00 0.00 179.01 178.53 1pty s SER 187 N -6.16 -0.41 0.38 3.06 1.04 -1.26 -5.01 113.70 105.32 1pty s SER 187 Ca -0.06 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.46 1pty s SER 187 Cb 0.20 0.43 0.75 0.00 0.10 0.00 0.00 66.02 67.50 1pty s SER 187 CO 0.74 -0.68 2.01 -0.65 0.98 0.00 0.00 173.24 175.64 1pty h PRO 188 N 2.05 0.70 -0.09 4.02 0.11 -1.94 -2.75 132.00 134.11 1pty h PRO 188 Ca -0.24 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.85 1pty h PRO 188 Cb 1.25 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1pty h PRO 188 CO 0.32 0.46 -0.07 0.00 -0.21 0.00 0.00 178.00 178.50 1pty h ALA 189 N 1.65 -0.00 -0.51 -0.75 0.00 -1.95 0.16 119.26 117.86 1pty h ALA 189 Ca 0.24 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1pty h ALA 189 Cb 0.06 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1pty h ALA 189 CO -0.06 -0.54 0.30 0.77 0.00 0.00 0.00 179.25 179.71 1pty h SER 190 N -0.09 0.47 -0.05 0.00 0.02 -1.76 0.34 113.55 112.48 1pty h SER 190 Ca 0.06 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1pty h SER 190 Cb 0.18 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1pty h SER 190 CO -0.14 0.33 0.02 0.15 -1.14 0.00 0.00 176.83 176.05 1pty h PHE 191 N 0.59 0.09 -0.53 3.45 3.57 -1.17 -2.39 116.94 120.54 1pty h PHE 191 Ca 0.21 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1pty h PHE 191 Cb 0.03 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1pty h PHE 191 CO -0.07 0.25 0.11 -0.07 -2.23 0.00 0.00 178.31 176.30 1pty h LEU 192 N -0.10 0.77 -0.59 0.59 3.38 -0.54 0.43 115.31 119.26 1pty h LEU 192 Ca 0.02 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1pty h LEU 192 Cb 0.20 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1pty h LEU 192 CO -0.00 0.77 0.39 -1.13 0.09 0.00 0.00 178.44 178.56 1pty h ASN 193 N 0.79 0.68 -0.18 -0.43 -1.24 -0.85 0.84 115.58 115.19 1pty h ASN 193 Ca 0.17 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1pty h ASN 193 Cb 0.31 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1pty h ASN 193 CO 0.00 0.49 -0.01 0.15 -1.29 0.00 0.00 177.43 176.77 1pty h PHE 194 N 0.80 0.35 -0.80 0.67 3.57 -0.91 -1.93 116.94 118.69 1pty h PHE 194 Ca 0.22 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1pty h PHE 194 Cb -0.09 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 1pty h PHE 194 CO -0.03 0.54 0.52 1.25 -2.23 0.00 0.00 178.31 178.35 1pty h LEU 195 N 0.06 0.86 -1.39 0.59 5.85 -0.65 -1.28 115.31 119.35 1pty h LEU 195 Ca 0.05 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1pty h LEU 195 Cb 0.41 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1pty h LEU 195 CO 0.01 0.59 -0.29 -0.26 -0.34 0.00 0.00 178.44 178.15 1pty h PHE 196 N 1.01 0.00 -0.41 1.25 -1.00 -0.70 -0.48 116.94 116.60 1pty h PHE 196 Ca 0.32 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.94 1pty h PHE 196 Cb -0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1pty h PHE 196 CO -0.03 0.29 -0.34 -0.22 -1.61 0.00 0.00 178.31 176.40 1pty h LYS 197 N 0.00 0.96 -0.34 1.51 1.63 -0.44 -0.01 116.57 119.87 1pty h LYS 197 Ca -0.00 -0.48 -0.04 0.00 -0.85 0.00 0.00 60.65 59.28 1pty h LYS 197 Cb 0.60 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1pty h LYS 197 CO 0.04 1.14 0.05 0.28 -3.45 0.00 0.00 179.45 177.51 1pty h VAL 198 N 0.79 1.24 -0.32 2.00 2.07 -0.69 -2.65 116.25 118.69 1pty h VAL 198 Ca 0.07 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1pty h VAL 198 Cb 0.93 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1pty h VAL 198 CO 0.09 0.28 0.20 0.03 0.02 0.00 0.00 177.57 178.19 1pty h ARG 199 N 0.40 0.40 0.00 1.57 3.08 -0.94 -2.72 114.38 116.17 1pty h ARG 199 Ca 0.10 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1pty h ARG 199 Cb 0.36 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1pty h ARG 199 CO 0.01 0.26 -0.12 0.93 -1.07 0.00 0.00 179.97 179.99 1pty h GLU 200 N 0.41 0.00 0.00 0.04 5.08 -0.92 -2.13 114.58 117.06 1pty h GLU 200 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1pty h GLU 200 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1pty h GLU 200 CO -0.04 0.12 0.00 0.66 -1.00 0.00 0.00 179.01 178.75 1pty h SER 201 N 0.00 0.00 0.00 1.42 4.64 -1.14 -3.46 113.55 115.02 1pty h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pty h SER 201 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1pty h SER 201 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1pty n GLY 202 N -0.18 0.79 0.27 -0.77 0.00 -0.80 -4.93 105.19 99.57 1pty n GLY 202 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1pty n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pty h SER 203 N 0.00 0.00 -0.07 1.61 0.02 -1.78 -1.99 113.55 111.33 1pty h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pty h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1pty h SER 203 CO 0.00 0.07 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 1pty n LEU 204 N -3.88 1.84 -4.76 5.07 4.77 -1.26 -4.36 117.00 114.41 1pty n LEU 204 Ca -0.02 -0.67 -0.38 0.00 -0.03 0.00 0.00 56.01 54.91 1pty n LEU 204 Cb 0.17 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1pty n LEU 204 CO 0.30 0.33 0.94 -0.55 -1.33 0.00 0.00 177.39 177.09 1pty s SER 205 N -1.87 5.75 0.36 -1.43 0.15 -0.75 -4.92 113.70 110.99 1pty s SER 205 Ca 0.35 2.63 0.27 0.00 0.70 0.00 0.00 55.95 59.90 1pty s SER 205 Cb 0.20 -2.63 1.18 0.00 -1.71 0.00 0.00 66.02 63.07 1pty s SER 205 CO 0.31 -1.23 1.80 1.55 1.20 0.00 0.00 173.24 176.87 1pty h PRO 206 N 1.91 0.00 0.00 5.44 0.13 -1.92 -2.29 132.00 135.27 1pty h PRO 206 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1pty h PRO 206 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1pty h PRO 206 CO 0.59 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.51 1pty n GLU 207 N -2.48 0.04 -4.14 0.86 0.28 -1.26 -4.77 120.64 109.17 1pty n GLU 207 Ca 0.01 0.17 -0.24 0.00 -0.16 0.00 0.00 57.16 56.95 1pty n GLU 207 Cb 0.21 -1.56 -0.07 0.00 1.43 0.00 0.00 31.44 31.45 1pty n GLU 207 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1pty s HIS 208 N -3.04 2.64 1.09 -1.84 3.76 -0.86 -5.13 115.29 111.91 1pty s HIS 208 Ca 0.10 -0.47 -0.16 0.00 -0.15 0.00 0.00 55.06 54.38 1pty s HIS 208 Cb 0.13 -1.74 0.24 0.00 1.11 0.00 0.00 32.58 32.31 1pty s HIS 208 CO 0.40 0.30 1.11 0.20 -0.85 0.00 0.00 174.74 175.90 1pty s GLY 209 N -3.85 1.58 0.34 -2.22 0.00 0.40 -4.92 107.32 98.65 1pty s GLY 209 Ca 0.39 -0.70 -0.28 0.00 0.00 0.00 0.00 44.72 44.12 1pty s GLY 209 CO 0.22 0.05 1.35 2.56 0.00 0.00 0.00 173.10 177.28 1pty s PRO 210 N -5.24 4.29 0.46 2.90 0.04 -1.26 -4.44 135.00 131.76 1pty s PRO 210 Ca 0.68 2.29 -0.25 0.00 0.04 0.00 0.00 61.00 63.77 1pty s PRO 210 Cb -0.13 -3.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 1pty s PRO 210 CO 0.56 -0.27 1.38 0.54 0.04 0.00 0.00 177.00 179.25 1pty s VAL 211 N -1.14 2.22 -0.26 -0.36 0.11 -1.26 -4.43 120.40 115.28 1pty s VAL 211 Ca 0.50 0.19 -0.15 0.00 -2.93 0.00 0.00 61.98 59.59 1pty s VAL 211 Cb -0.41 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.29 1pty s VAL 211 CO 0.55 0.02 0.36 -0.69 -3.33 0.00 0.00 175.10 172.01 1pty s VAL 212 N -1.25 5.19 -0.11 2.04 1.01 -0.81 -1.10 120.40 125.37 1pty s VAL 212 Ca 0.62 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1pty s VAL 212 Cb -0.41 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1pty s VAL 212 CO 0.52 0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 175.00 1pty s VAL 213 N 1.94 3.31 0.10 2.92 1.01 0.79 -0.19 120.40 130.27 1pty s VAL 213 Ca 0.15 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1pty s VAL 213 Cb -0.16 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1pty s VAL 213 CO 0.10 0.55 0.28 -1.38 0.00 0.00 0.00 175.10 174.65 1pty s HIS 214 N -0.08 -0.02 0.00 5.22 -3.43 0.11 -1.83 115.29 115.27 1pty s HIS 214 Ca -0.01 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 1pty s HIS 214 Cb -0.14 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 1pty s HIS 214 CO 0.03 -0.60 0.00 -1.13 -2.00 0.00 0.00 174.74 171.04 1pty n SER 215 N -0.05 0.00 -0.07 7.38 3.41 -1.25 -1.04 113.62 122.00 1pty n SER 215 Ca -0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.33 1pty n SER 215 Cb 0.63 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 1pty n SER 215 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1pty h SER 216 N 0.00 0.00 0.67 4.04 0.87 -1.90 -2.35 113.55 114.88 1pty h SER 216 Ca 0.00 -0.81 -0.10 0.00 -1.23 0.00 0.00 61.79 59.65 1pty h SER 216 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1pty h SER 216 CO 0.00 0.95 -1.40 0.00 -0.53 0.00 0.00 176.83 175.85 1pty n ALA 217 N -2.70 2.24 -1.83 6.23 0.00 -1.26 -0.64 120.51 122.56 1pty n ALA 217 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1pty n ALA 217 Cb 0.42 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1pty n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pty n GLY 218 N 1.32 0.46 0.00 0.00 0.00 -1.24 -3.89 105.19 101.84 1pty n GLY 218 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1pty n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pty n ILE 219 N -3.78 0.00 0.00 -0.61 -5.35 -1.26 -4.45 119.36 103.92 1pty n ILE 219 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1pty n ILE 219 Cb 0.44 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 1pty n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pty n GLY 220 N 1.68 0.58 0.35 3.28 0.00 -1.26 -1.18 105.19 108.64 1pty n GLY 220 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1pty n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pty h ARG 221 N 0.00 1.11 -0.36 1.61 3.08 -1.95 -1.25 114.38 116.62 1pty h ARG 221 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1pty h ARG 221 Cb 0.00 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1pty h ARG 221 CO 0.00 0.81 0.23 0.77 -1.07 0.00 0.00 179.97 180.71 1pty h SER 222 N 1.12 0.43 -0.84 7.04 0.02 -1.87 -1.21 113.55 118.25 1pty h SER 222 Ca 0.28 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1pty h SER 222 Cb 0.02 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 1pty h SER 222 CO -0.05 0.34 0.41 1.23 -1.14 0.00 0.00 176.83 177.62 1pty h GLY 223 N 0.48 1.29 0.95 -3.77 0.00 -0.98 -1.94 103.07 99.09 1pty h GLY 223 Ca 0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1pty h GLY 223 CO -0.03 0.60 0.17 -0.84 0.00 0.00 0.00 176.54 176.45 1pty h THR 224 N 1.19 1.18 0.31 4.70 2.02 -0.87 -0.36 112.91 121.08 1pty h THR 224 Ca 0.29 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1pty h THR 224 Cb 0.11 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1pty h THR 224 CO -0.04 0.20 -0.22 0.15 0.37 0.00 0.00 175.52 175.98 1pty h PHE 225 N 0.48 -0.59 -0.70 3.16 3.57 -1.05 -2.45 116.94 119.37 1pty h PHE 225 Ca 0.13 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1pty h PHE 225 Cb 0.15 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1pty h PHE 225 CO -0.01 -0.34 0.28 0.00 -2.23 0.00 0.00 178.31 176.02 1pty h LEU 227 N 1.00 0.25 -0.40 0.00 5.85 -0.98 0.15 115.31 121.17 1pty h LEU 227 Ca 0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1pty h LEU 227 Cb 0.20 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1pty h LEU 227 CO -0.02 0.18 0.21 0.00 -0.34 0.00 0.00 178.44 178.47 1pty h ALA 228 N 1.11 0.51 0.12 1.25 0.00 -1.33 -1.29 119.26 119.63 1pty h ALA 228 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pty h ALA 228 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1pty h ALA 228 CO -0.04 0.05 -0.06 0.22 0.00 0.00 0.00 179.25 179.42 1pty h ASP 229 N 0.51 -0.13 -0.46 0.00 3.58 -1.04 -1.18 116.42 117.69 1pty h ASP 229 Ca 0.14 -0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.55 1pty h ASP 229 Cb 0.08 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1pty h ASP 229 CO -0.02 -0.03 0.28 0.74 -2.88 0.00 0.00 179.24 177.33 1pty h THR 230 N -0.23 1.06 -0.83 2.25 2.02 -0.91 0.01 112.91 116.28 1pty h THR 230 Ca -0.02 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1pty h THR 230 Cb 0.18 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1pty h THR 230 CO 0.03 0.10 0.55 0.00 0.37 0.00 0.00 175.52 176.57 1pty h LEU 232 N 1.13 0.52 -0.49 0.00 3.38 -0.83 -2.27 115.31 116.74 1pty h LEU 232 Ca 0.30 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1pty h LEU 232 Cb -0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1pty h LEU 232 CO -0.07 0.67 0.32 0.25 0.09 0.00 0.00 178.44 179.71 1pty h LEU 233 N 0.34 0.55 0.06 1.67 5.85 -0.64 -0.67 115.31 122.48 1pty h LEU 233 Ca 0.09 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1pty h LEU 233 Cb 0.39 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1pty h LEU 233 CO 0.01 0.40 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.23 1pty h LEU 234 N 0.66 -0.61 -1.69 2.25 3.38 -0.67 0.19 115.31 118.82 1pty h LEU 234 Ca 0.18 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1pty h LEU 234 Cb -0.07 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pty h LEU 234 CO -0.04 -0.29 -0.05 0.00 0.09 0.00 0.00 178.44 178.14 1pty h MET 235 N -0.37 0.00 -0.08 1.13 -0.00 -1.24 -2.81 114.93 111.55 1pty h MET 235 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.65 1pty h MET 235 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 1pty h MET 235 CO -0.15 0.05 -0.31 0.22 -0.00 0.00 0.00 176.91 176.72 1pty h ASP 236 N 0.00 0.41 -0.87 -0.10 3.58 -0.06 0.69 116.42 120.07 1pty h ASP 236 Ca -0.00 -0.63 0.08 0.00 0.42 0.00 0.00 57.03 56.90 1pty h ASP 236 Cb 0.45 -0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.31 1pty h ASP 236 CO 0.01 0.97 0.53 0.11 -2.88 0.00 0.00 179.24 177.98 1pty h LYS 237 N -0.12 0.89 -0.01 0.28 1.57 -0.74 -2.43 116.57 116.01 1pty h LYS 237 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1pty h LYS 237 Cb 0.95 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1pty h LYS 237 CO 0.07 0.59 -0.48 0.54 -0.57 0.00 0.00 179.45 179.59 1pty n ARG 238 N -4.66 1.16 -4.10 3.15 1.74 -1.14 -4.96 116.66 107.85 1pty n ARG 238 Ca 0.14 -0.94 -0.30 0.00 -0.77 0.00 0.00 57.85 55.97 1pty n ARG 238 Cb 0.24 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1pty n ARG 238 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pty n LYS 239 N -0.10 -3.01 -3.41 5.56 4.76 0.23 -4.94 118.16 117.26 1pty n LYS 239 Ca 0.09 0.36 -0.22 0.00 -2.87 0.00 0.00 58.31 55.68 1pty n LYS 239 Cb 0.46 -4.66 -0.10 0.00 -1.84 0.00 0.00 35.03 28.89 1pty n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1pty s ASP 240 N -3.95 1.95 0.35 4.39 2.15 -0.62 -5.02 116.67 115.92 1pty s ASP 240 Ca 0.30 -1.64 0.08 0.00 0.43 0.00 0.00 52.55 51.72 1pty s ASP 240 Cb -0.16 0.20 0.80 0.00 -0.30 0.00 0.00 42.92 43.46 1pty s ASP 240 CO 0.92 -0.30 1.87 -0.65 -0.17 0.00 0.00 175.17 176.83 1pty h PRO 241 N 7.30 0.69 0.00 4.34 0.11 -1.92 -1.95 132.00 140.56 1pty h PRO 241 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1pty h PRO 241 Cb 1.03 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1pty h PRO 241 CO 0.25 0.46 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 1pty n SER 242 N -4.56 0.00 -0.10 -2.05 3.41 -1.26 -2.93 113.62 106.13 1pty n SER 242 Ca 0.17 0.28 0.14 0.00 -0.26 0.00 0.00 58.87 59.20 1pty n SER 242 Cb 0.45 -0.40 0.61 0.00 -0.26 0.00 0.00 64.21 64.61 1pty n SER 242 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pty n SER 243 N -1.40 0.44 -4.62 4.04 3.41 -0.73 -4.80 113.62 109.95 1pty n SER 243 Ca 0.06 -0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 57.77 1pty n SER 243 Cb 0.18 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 1pty n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pty s VAL 244 N -2.50 5.28 -0.55 -3.33 1.01 -1.15 -5.03 120.40 114.13 1pty s VAL 244 Ca 0.28 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 1pty s VAL 244 Cb 0.20 -3.59 0.14 0.00 0.00 0.00 0.00 36.38 33.13 1pty s VAL 244 CO 0.48 0.25 0.43 -0.62 0.00 0.00 0.00 175.10 175.64 1pty s ASP 245 N 1.49 5.82 0.29 3.32 -1.08 -1.26 -4.65 116.67 120.60 1pty s ASP 245 Ca 0.10 -2.14 -0.01 0.00 -0.52 0.00 0.00 52.55 49.98 1pty s ASP 245 Cb -0.15 -2.03 0.46 0.00 -1.46 0.00 0.00 42.92 39.73 1pty s ASP 245 CO 0.09 -0.65 1.92 -0.29 0.52 0.00 0.00 175.17 176.77 1pty h ILE 246 N 5.81 1.13 -0.68 4.11 2.10 -1.99 -0.85 117.51 127.14 1pty h ILE 246 Ca -0.15 -0.38 -0.07 0.00 1.08 0.00 0.00 64.86 65.34 1pty h ILE 246 Cb 1.05 -0.09 -0.03 0.00 -1.09 0.00 0.00 36.82 36.67 1pty h ILE 246 CO 0.84 0.20 0.14 0.11 -1.08 0.00 0.00 178.15 178.36 1pty h LYS 247 N 1.12 1.11 -0.54 2.19 1.57 -1.99 -0.80 116.57 119.22 1pty h LYS 247 Ca 0.38 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1pty h LYS 247 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1pty h LYS 247 CO -0.12 1.00 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.50 1pty h LYS 248 N 1.03 0.95 -0.48 3.15 3.64 -1.82 -1.08 116.57 121.96 1pty h LYS 248 Ca 0.21 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1pty h LYS 248 Cb 0.40 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1pty h LYS 248 CO 0.01 0.96 0.10 0.28 -2.27 0.00 0.00 179.45 178.53 1pty h VAL 249 N 0.87 1.24 -0.66 2.00 2.07 -0.75 -1.08 116.25 119.94 1pty h VAL 249 Ca 0.15 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1pty h VAL 249 Cb 0.55 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1pty h VAL 249 CO 0.03 0.31 0.39 0.25 0.02 0.00 0.00 177.57 178.58 1pty h LEU 250 N 0.67 0.80 -0.99 2.57 5.85 -0.86 -0.97 115.31 122.38 1pty h LEU 250 Ca 0.15 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1pty h LEU 250 Cb 0.35 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1pty h LEU 250 CO 0.00 0.63 0.11 -0.07 -0.34 0.00 0.00 178.44 178.78 1pty h LEU 251 N 0.90 0.79 -0.49 2.25 3.38 -0.93 -0.32 115.31 120.90 1pty h LEU 251 Ca 0.24 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1pty h LEU 251 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1pty h LEU 251 CO -0.04 0.79 0.23 -0.08 0.09 0.00 0.00 178.44 179.42 1pty h GLU 252 N 0.81 0.71 -0.65 1.13 4.57 -0.64 -2.55 114.58 117.96 1pty h GLU 252 Ca 0.17 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 1pty h GLU 252 Cb 0.32 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1pty h GLU 252 CO 0.00 0.60 0.20 0.52 -1.18 0.00 0.00 179.01 179.15 1pty h MET 253 N 0.65 0.99 0.00 1.92 2.86 -0.64 -2.20 114.93 118.50 1pty h MET 253 Ca 0.17 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1pty h MET 253 Cb 0.13 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1pty h MET 253 CO -0.02 0.85 0.00 0.54 1.06 0.00 0.00 176.91 179.34 1pty n ARG 254 N -4.27 0.05 0.22 1.72 1.74 -0.18 -0.87 116.66 115.06 1pty n ARG 254 Ca 0.05 0.30 0.11 0.00 -0.77 0.00 0.00 57.85 57.54 1pty n ARG 254 Cb 0.22 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.54 1pty n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1pty h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.26 -3.31 116.57 119.12 1pty h LYS 255 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1pty h LYS 255 Cb 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1pty h LYS 255 CO 0.00 0.18 -2.11 1.19 -0.57 0.00 0.00 179.45 178.14 1pty n PHE 256 N -3.24 0.19 -3.69 -1.35 3.72 -0.05 -4.96 117.46 108.07 1pty n PHE 256 Ca 0.01 0.06 -0.13 0.00 -0.05 0.00 0.00 57.45 57.35 1pty n PHE 256 Cb 0.47 -0.88 -0.09 0.00 -0.94 0.00 0.00 39.48 38.04 1pty n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1pty s ARG 257 N -2.84 0.61 0.65 -1.08 3.52 -1.17 -4.51 118.95 114.12 1pty s ARG 257 Ca -0.08 0.78 -0.15 0.00 -0.13 0.00 0.00 55.73 56.15 1pty s ARG 257 Cb 0.09 0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.73 1pty s ARG 257 CO 0.85 -0.09 1.11 0.00 -0.81 0.00 0.00 175.30 176.36 1pty s MET 258 N 0.50 2.86 -1.99 5.12 0.23 -1.26 -4.25 119.30 120.50 1pty s MET 258 Ca -0.02 1.39 0.00 0.00 -1.03 0.00 0.00 55.69 56.04 1pty s MET 258 Cb -0.04 -1.96 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 1pty s MET 258 CO -0.02 -1.20 0.00 0.41 -2.03 0.00 0.00 175.02 172.18 1pty n GLY 259 N -0.51 1.15 3.67 3.16 0.00 -1.26 -4.87 105.19 106.53 1pty n GLY 259 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1pty n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pty s LEU 260 N -5.07 4.37 0.00 0.99 1.43 -1.26 -4.05 118.68 115.10 1pty s LEU 260 Ca 0.00 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1pty s LEU 260 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1pty s LEU 260 CO 0.00 -0.94 0.00 -0.38 0.23 0.00 0.00 176.35 175.26 1pty n ILE 261 N 5.12 -1.87 0.60 -0.59 2.08 -0.33 -4.96 119.36 119.43 1pty n ILE 261 Ca 0.17 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.59 1pty n ILE 261 Cb 0.41 -2.64 -0.01 0.00 -0.75 0.00 0.00 39.64 36.64 1pty n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pty n GLN 262 N 0.20 0.26 -4.10 0.38 1.13 -1.26 -4.90 117.38 109.10 1pty n GLN 262 Ca 0.00 -0.02 -0.07 0.00 -1.94 0.00 0.00 57.00 54.96 1pty n GLN 262 Cb 0.00 -1.56 -0.10 0.00 0.11 0.00 0.00 30.24 28.69 1pty n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1pty s THR 263 N -3.19 0.25 0.38 5.09 -4.23 -1.26 -5.03 115.64 107.66 1pty s THR 263 Ca 0.03 -1.81 0.10 0.00 -1.18 0.00 0.00 61.69 58.83 1pty s THR 263 Cb 0.15 -1.52 0.14 0.00 1.34 0.00 0.00 72.50 72.61 1pty s THR 263 CO 0.82 -0.99 1.90 0.00 -0.54 0.00 0.00 174.62 175.81 1pty h ALA 264 N 3.15 1.48 -0.14 3.99 0.00 -1.94 -2.49 119.26 123.31 1pty h ALA 264 Ca -0.34 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 1pty h ALA 264 Cb 1.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pty h ALA 264 CO 0.66 0.37 -0.46 0.22 0.00 0.00 0.00 179.25 180.03 1pty h ASP 265 N 0.17 0.37 -0.01 0.00 3.58 -1.96 -0.65 116.42 117.91 1pty h ASP 265 Ca 0.03 -0.17 -0.08 0.00 0.42 0.00 0.00 57.03 57.23 1pty h ASP 265 Cb 0.44 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1pty h ASP 265 CO 0.03 0.78 -0.21 1.56 -2.88 0.00 0.00 179.24 178.52 1pty h GLN 266 N 0.28 0.38 -0.09 0.28 4.20 -1.77 0.16 115.11 118.54 1pty h GLN 266 Ca 0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1pty h GLN 266 Cb 0.92 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 1pty h GLN 266 CO 0.08 0.58 -0.06 1.25 -0.67 0.00 0.00 178.83 180.01 1pty h LEU 267 N 0.35 0.21 -0.83 1.46 5.85 -1.13 -0.78 115.31 120.44 1pty h LEU 267 Ca 0.06 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.39 1pty h LEU 267 Cb 0.56 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1pty h LEU 267 CO 0.04 0.60 0.52 -0.09 -0.34 0.00 0.00 178.44 179.17 1pty h ARG 268 N -0.18 0.94 -0.76 1.25 2.43 -0.86 -1.33 114.38 115.87 1pty h ARG 268 Ca 0.02 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1pty h ARG 268 Cb 0.53 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1pty h ARG 268 CO 0.02 0.62 0.36 0.35 -1.51 0.00 0.00 179.97 179.81 1pty h PHE 269 N 0.97 1.11 -0.64 2.20 3.57 -0.56 -1.85 116.94 121.74 1pty h PHE 269 Ca 0.35 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1pty h PHE 269 Cb 0.11 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.45 1pty h PHE 269 CO -0.03 0.81 0.34 0.77 -2.23 0.00 0.00 178.31 177.97 1pty h SER 270 N 1.08 0.49 -0.16 0.41 0.02 -0.05 0.11 113.55 115.44 1pty h SER 270 Ca 0.26 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1pty h SER 270 Cb 0.13 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1pty h SER 270 CO -0.03 0.32 0.06 1.88 -1.14 0.00 0.00 176.83 177.91 1pty h TYR 271 N 0.63 0.10 -0.37 3.45 -1.99 -0.87 -1.09 116.97 116.83 1pty h TYR 271 Ca 0.29 0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.06 1pty h TYR 271 Cb 0.21 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.88 1pty h TYR 271 CO -0.09 0.05 0.16 -0.07 -0.00 0.00 0.00 178.16 178.22 1pty h LEU 272 N 0.14 0.22 -0.61 3.88 3.38 -0.52 -0.13 115.31 121.66 1pty h LEU 272 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pty h LEU 272 Cb 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1pty h LEU 272 CO -0.07 0.16 0.38 0.00 0.09 0.00 0.00 178.44 179.01 1pty h ALA 273 N 1.22 0.78 -0.23 1.53 0.00 -0.54 -1.15 119.26 120.86 1pty h ALA 273 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1pty h ALA 273 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pty h ALA 273 CO -0.14 0.24 -0.03 0.28 0.00 0.00 0.00 179.25 179.60 1pty h VAL 274 N 0.83 1.27 -0.60 0.00 2.07 -0.87 0.59 116.25 119.55 1pty h VAL 274 Ca 0.22 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1pty h VAL 274 Cb -0.05 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1pty h VAL 274 CO -0.04 0.31 0.39 0.40 0.02 0.00 0.00 177.57 178.64 1pty h ILE 275 N 0.18 1.13 -0.28 4.57 2.04 -0.89 0.17 117.51 124.43 1pty h ILE 275 Ca 0.06 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.58 1pty h ILE 275 Cb 0.48 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1pty h ILE 275 CO 0.02 0.14 -0.11 -0.08 0.00 0.00 0.00 178.15 178.12 1pty h GLU 276 N 0.79 0.57 -0.04 2.37 4.57 -1.15 -3.08 114.58 118.60 1pty h GLU 276 Ca 0.23 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1pty h GLU 276 Cb -0.06 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1pty h GLU 276 CO -0.06 0.80 -0.06 0.78 -1.18 0.00 0.00 179.01 179.29 1pty h GLY 277 N 0.31 0.06 1.35 1.92 0.00 -0.46 -1.88 103.07 104.38 1pty h GLY 277 Ca 0.06 -0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.45 1pty h GLY 277 CO 0.04 0.03 0.24 0.00 0.00 0.00 0.00 176.54 176.84 1pty h ALA 278 N 1.88 2.17 -0.48 3.60 0.00 -0.87 -1.56 119.26 124.01 1pty h ALA 278 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1pty h ALA 278 Cb 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1pty h ALA 278 CO 0.01 -0.39 0.30 0.87 0.00 0.00 0.00 179.25 180.03 1pty h LYS 279 N 0.00 0.58 0.04 0.00 1.57 -1.45 -0.32 116.57 116.99 1pty h LYS 279 Ca 0.14 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1pty h LYS 279 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1pty h LYS 279 CO -0.00 0.39 -0.02 0.35 -0.57 0.00 0.00 179.45 179.59 1pty h PHE 280 N 0.60 -0.05 -0.82 -1.35 3.04 -1.42 -1.90 116.94 115.04 1pty h PHE 280 Ca 0.18 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.29 1pty h PHE 280 Cb -0.02 0.02 -0.10 0.00 2.56 0.00 0.00 35.95 38.40 1pty h PHE 280 CO -0.06 0.26 0.37 0.82 -2.02 0.00 0.00 178.31 177.69 1pty h ILE 281 N -0.38 0.64 -0.05 1.41 1.08 -1.28 -1.82 117.51 117.11 1pty h ILE 281 Ca -0.01 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1pty h ILE 281 Cb 0.34 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 1pty h ILE 281 CO 0.01 0.09 0.00 0.23 -0.69 0.00 0.00 178.15 177.79 1pty n MET 282 N -4.97 1.16 0.00 2.37 2.81 -0.15 -4.88 117.12 113.47 1pty n MET 282 Ca 0.17 -0.20 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1pty n MET 282 Cb 0.47 -1.16 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 1pty n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pty n GLY 283 N 0.46 1.92 3.46 3.03 0.00 -0.68 -5.04 105.19 108.34 1pty n GLY 283 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1pty n GLY 283 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pty s ASP 284 N -1.85 7.04 0.53 1.61 2.15 -0.72 -4.81 116.67 120.61 1pty s ASP 284 Ca 0.00 -2.92 0.35 0.00 0.43 0.00 0.00 52.55 50.41 1pty s ASP 284 Cb 0.00 -2.40 1.63 0.00 -0.30 0.00 0.00 42.92 41.86 1pty s ASP 284 CO 0.00 -0.77 2.04 0.28 -0.17 0.00 0.00 175.17 176.55 1pty h SER 285 N 7.30 0.00 0.32 -0.34 0.02 -1.83 -3.00 113.55 116.02 1pty h SER 285 Ca 0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1pty h SER 285 Cb 0.89 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 1pty h SER 285 CO 1.23 0.00 -0.14 0.77 -1.14 0.00 0.00 176.83 177.55 1pty h SER 286 N 0.00 0.00 -0.06 3.07 4.64 -1.96 -2.60 113.55 116.65 1pty h SER 286 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1pty h SER 286 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1pty h SER 286 CO 0.00 0.14 0.04 -0.37 -0.87 0.00 0.00 176.83 175.77 1pty h VAL 287 N 0.00 0.91 -0.75 0.95 -1.51 -1.91 -1.67 116.25 112.27 1pty h VAL 287 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1pty h VAL 287 Cb 0.33 0.97 -0.04 0.00 -2.13 0.00 0.00 31.29 30.43 1pty h VAL 287 CO 0.02 0.00 0.45 -0.61 -1.23 0.00 0.00 177.57 176.20 1pty h GLN 288 N 0.00 1.01 -0.22 5.19 4.15 -1.70 0.67 115.11 124.21 1pty h GLN 288 Ca 0.03 -0.09 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1pty h GLN 288 Cb 0.12 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1pty h GLN 288 CO -0.00 0.71 -0.34 -0.44 -1.93 0.00 0.00 178.83 176.83 1pty h ASP 289 N 1.02 0.47 -0.45 -0.69 3.32 -1.49 -1.91 116.42 116.69 1pty h ASP 289 Ca 0.27 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1pty h ASP 289 Cb -0.04 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1pty h ASP 289 CO -0.05 0.79 0.16 1.56 -1.72 0.00 0.00 179.24 179.98 1pty h GLN 290 N 0.39 0.69 -0.57 3.56 4.20 -0.78 -1.20 115.11 121.40 1pty h GLN 290 Ca 0.04 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1pty h GLN 290 Cb 0.79 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 1pty h GLN 290 CO 0.06 0.65 0.35 -1.49 -0.67 0.00 0.00 178.83 177.73 1pty h TRP 291 N 0.59 0.74 -0.74 2.96 6.55 -0.69 0.17 115.95 125.53 1pty h TRP 291 Ca 0.15 0.00 0.05 0.00 0.95 0.00 0.00 58.89 60.04 1pty h TRP 291 Cb 0.23 -0.24 -0.05 0.00 -0.86 0.00 0.00 29.16 28.23 1pty h TRP 291 CO 0.01 0.50 0.45 -0.22 -1.05 0.00 0.00 178.44 178.12 1pty h LYS 292 N 0.77 0.81 0.36 0.49 3.64 -1.07 0.14 116.57 121.71 1pty h LYS 292 Ca 0.20 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1pty h LYS 292 Cb -0.03 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1pty h LYS 292 CO -0.04 0.54 -0.17 0.93 -2.27 0.00 0.00 179.45 178.43 1pty h GLU 293 N 0.84 -0.47 -0.20 1.90 4.39 -0.52 -3.16 114.58 117.36 1pty h GLU 293 Ca 0.32 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.11 1pty h GLU 293 Cb 0.13 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1pty h GLU 293 CO -0.16 -0.16 0.15 -0.07 -1.16 0.00 0.00 179.01 177.61 1pty h LEU 294 N -0.79 0.00 -0.75 1.33 3.38 -0.46 -1.90 115.31 116.12 1pty h LEU 294 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1pty h LEU 294 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1pty h LEU 294 CO 0.08 0.00 -0.12 0.77 0.09 0.00 0.00 178.44 179.26 1pty h SER 295 N 0.00 0.00 -5.99 -0.43 4.64 -0.69 -3.46 113.55 107.62 1pty h SER 295 Ca 0.10 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.02 1pty h SER 295 Cb 0.40 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.57 1pty h SER 295 CO -0.00 0.12 -0.82 1.41 -0.87 0.00 0.00 176.83 176.67 1pty n HIS 296 N -3.19 -1.98 0.29 4.77 8.25 -0.72 -4.89 115.22 117.76 1pty n HIS 296 Ca 0.02 0.86 0.19 0.00 -0.26 0.00 0.00 57.72 58.52 1pty n HIS 296 Cb 0.46 -4.53 0.81 0.00 1.12 0.00 0.00 29.99 27.85 1pty n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1pty h GLU 297 N -1.86 0.00 -6.66 -0.41 4.11 -1.84 -3.42 114.58 104.49 1pty h GLU 297 Ca -0.61 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.31 1pty h GLU 297 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1pty h GLU 297 CO 0.55 0.00 0.46 -0.51 0.07 0.00 0.00 179.01 179.58 1pty s ASP 298 N -5.56 7.30 0.00 3.06 1.01 -1.26 0.22 116.67 121.43 1pty s ASP 298 Ca -0.00 2.07 0.31 0.00 0.71 0.00 0.00 52.55 55.64 1pty s ASP 298 Cb 0.10 -2.60 1.69 0.00 1.01 0.00 0.00 42.92 43.12 1pty s ASP 298 CO 0.51 -0.19 2.11 0.18 0.21 0.00 0.00 175.17 177.99