#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h4g h MET 3 N 0.00 0.00 -0.05 5.31 -0.00 -1.86 -2.83 114.93 115.50 2h4g h MET 3 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.47 2h4g h MET 3 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.61 2h4g h MET 3 CO 0.00 0.40 -0.90 1.49 -0.00 0.00 0.00 176.91 177.90 2h4g h GLU 4 N 0.00 0.57 -0.29 -0.10 4.81 -1.97 -0.79 114.58 116.81 2h4g h GLU 4 Ca -0.00 -0.55 -0.10 0.00 -0.13 0.00 0.00 59.36 58.58 2h4g h GLU 4 Cb 0.91 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2h4g h GLU 4 CO 0.05 1.17 -0.19 0.87 -0.73 0.00 0.00 179.01 180.19 2h4g h LYS 5 N 0.35 0.65 -0.56 1.92 1.57 -1.99 -2.70 116.57 115.80 2h4g h LYS 5 Ca -0.08 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 2h4g h LYS 5 Cb 1.52 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.80 2h4g h LYS 5 CO 0.17 0.90 0.21 1.49 -0.57 0.00 0.00 179.45 181.64 2h4g h GLU 6 N 0.39 0.83 0.04 3.15 4.81 -1.48 -1.86 114.58 120.45 2h4g h GLU 6 Ca 0.06 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2h4g h GLU 6 Cb 0.73 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2h4g h GLU 6 CO 0.05 0.69 -0.02 0.35 -0.73 0.00 0.00 179.01 179.35 2h4g h PHE 7 N 0.81 -0.06 0.00 0.92 3.04 -0.95 -1.65 116.94 119.05 2h4g h PHE 7 Ca 0.19 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.14 2h4g h PHE 7 Cb 0.19 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.72 2h4g h PHE 7 CO 0.01 -0.04 0.00 0.93 -2.02 0.00 0.00 178.31 177.20 2h4g h GLU 8 N -0.06 0.00 0.13 1.11 5.08 -1.25 -0.98 114.58 118.62 2h4g h GLU 8 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 2h4g h GLU 8 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2h4g h GLU 8 CO 0.00 0.00 -1.24 0.37 -1.00 0.00 0.00 179.01 177.14 2h4g h GLN 9 N 0.00 0.36 0.05 2.33 4.15 -0.91 -2.23 115.11 118.87 2h4g h GLN 9 Ca 0.00 -0.56 -0.23 0.00 0.77 0.00 0.00 58.65 58.62 2h4g h GLN 9 Cb 0.52 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2h4g h GLN 9 CO 0.00 1.25 -1.06 0.82 -1.93 0.00 0.00 178.83 177.91 2h4g h ILE 10 N 0.12 1.55 -0.29 2.39 2.04 -1.05 -2.72 117.51 119.56 2h4g h ILE 10 Ca -0.15 -3.01 -0.16 0.00 1.00 0.00 0.00 64.86 62.53 2h4g h ILE 10 Cb 1.95 2.77 -0.00 0.00 -0.74 0.00 0.00 36.82 40.79 2h4g h ILE 10 CO 0.21 0.87 -0.48 -0.78 0.00 0.00 0.00 178.15 177.98 2h4g h ASP 11 N 0.07 0.84 -0.10 1.72 3.58 -1.24 -1.63 116.42 119.67 2h4g h ASP 11 Ca -0.07 -0.42 -0.14 0.00 0.42 0.00 0.00 57.03 56.82 2h4g h ASP 11 Cb 1.77 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 42.59 2h4g h ASP 11 CO 0.16 1.18 -0.49 0.07 -2.88 0.00 0.00 179.24 177.29 2h4g h LYS 12 N 0.61 0.51 -0.30 0.28 2.10 -1.47 -2.98 116.57 115.33 2h4g h LYS 12 Ca 0.03 -0.41 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2h4g h LYS 12 Cb 1.05 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2h4g h LYS 12 CO 0.10 1.04 0.00 -1.13 -2.00 0.00 0.00 179.45 177.46 2h4g n SER 13 N -4.25 0.59 -4.03 7.07 3.41 -1.03 -4.92 113.62 110.46 2h4g n SER 13 Ca -0.08 -2.02 -0.27 0.00 -0.26 0.00 0.00 58.87 56.24 2h4g n SER 13 Cb 0.59 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 2h4g n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h4g n GLY 14 N 0.45 -0.13 2.61 5.00 0.00 -0.69 -4.89 105.19 107.54 2h4g n GLY 14 Ca 0.02 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2h4g n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h4g n SER 15 N -2.33 3.72 0.09 1.61 3.41 -0.73 -4.81 113.62 114.58 2h4g n SER 15 Ca -0.24 -3.48 -0.12 0.00 -0.26 0.00 0.00 58.87 54.78 2h4g n SER 15 Cb 0.56 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 2h4g n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 2h4g h TRP 16 N 2.81 0.37 -0.41 7.33 4.06 -1.90 -2.70 115.95 125.50 2h4g h TRP 16 Ca 0.17 -0.24 0.02 0.00 2.06 0.00 0.00 58.89 60.89 2h4g h TRP 16 Cb 0.84 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 2h4g h TRP 16 CO 0.74 1.13 0.24 0.00 -3.56 0.00 0.00 178.44 176.99 2h4g h ALA 17 N 0.78 0.52 -0.33 1.49 0.00 -1.92 0.10 119.26 119.92 2h4g h ALA 17 Ca -0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2h4g h ALA 17 Cb 1.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2h4g h ALA 17 CO 0.17 -0.09 0.04 0.00 0.00 0.00 0.00 179.25 179.37 2h4g h ALA 18 N 1.19 0.44 -0.50 0.00 0.00 -1.93 -0.23 119.26 118.23 2h4g h ALA 18 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2h4g h ALA 18 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2h4g h ALA 18 CO -0.08 0.15 0.29 0.82 0.00 0.00 0.00 179.25 180.43 2h4g h ILE 19 N 0.38 1.16 -0.50 0.00 1.08 -1.20 -1.02 117.51 117.40 2h4g h ILE 19 Ca 0.10 -0.39 -0.05 0.00 -0.39 0.00 0.00 64.86 64.13 2h4g h ILE 19 Cb 0.38 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2h4g h ILE 19 CO 0.01 0.17 0.13 0.22 -0.69 0.00 0.00 178.15 177.99 2h4g h TYR 20 N 0.66 0.84 -0.05 1.37 3.20 -0.66 -2.60 116.97 119.73 2h4g h TYR 20 Ca 0.18 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2h4g h TYR 20 Cb 0.02 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2h4g h TYR 20 CO -0.02 0.74 -0.25 1.96 -1.64 0.00 0.00 178.16 178.94 2h4g h GLN 21 N 0.69 0.09 -0.37 1.82 1.08 -0.83 -1.76 115.11 115.84 2h4g h GLN 21 Ca 0.16 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.25 2h4g h GLN 21 Cb 0.31 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2h4g h GLN 21 CO -0.00 0.34 -0.10 -0.44 -0.95 0.00 0.00 178.83 177.68 2h4g h ASP 22 N 0.08 0.61 -0.34 1.46 3.32 -0.82 -0.16 116.42 120.58 2h4g h ASP 22 Ca 0.01 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.76 2h4g h ASP 22 Cb 0.50 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2h4g h ASP 22 CO 0.04 0.75 -0.30 0.40 -1.72 0.00 0.00 179.24 178.41 2h4g h ILE 23 N 0.58 1.27 -0.55 0.35 2.04 -1.08 -1.70 117.51 118.42 2h4g h ILE 23 Ca 0.10 -1.45 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 2h4g h ILE 23 Cb 0.52 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2h4g h ILE 23 CO 0.03 0.49 0.04 0.03 0.00 0.00 0.00 178.15 178.74 2h4g h ARG 24 N 0.73 0.91 -0.19 2.37 3.08 -0.83 0.24 114.38 120.68 2h4g h ARG 24 Ca 0.08 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 2h4g h ARG 24 Cb 0.85 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2h4g h ARG 24 CO 0.07 0.87 -0.45 1.25 -1.07 0.00 0.00 179.97 180.65 2h4g h HIS 25 N 0.85 0.59 0.00 3.04 2.76 -0.83 -3.20 115.15 118.36 2h4g h HIS 25 Ca 0.17 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2h4g h HIS 25 Cb 0.44 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2h4g h HIS 25 CO 0.03 0.85 -0.65 0.39 -1.30 0.00 0.00 177.93 177.25 2h4g n GLU 26 N -4.00 0.23 -1.64 5.26 1.02 -0.66 -4.97 120.64 115.89 2h4g n GLU 26 Ca -0.02 0.06 -0.39 0.00 -0.02 0.00 0.00 57.16 56.79 2h4g n GLU 26 Cb 0.54 -1.64 0.04 0.00 -0.02 0.00 0.00 31.44 30.36 2h4g n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h4g n ALA 27 N -1.76 0.42 -1.23 0.62 0.00 0.05 -4.95 120.51 113.67 2h4g n ALA 27 Ca 0.04 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.21 2h4g n ALA 27 Cb 0.42 -2.15 0.12 0.00 0.00 0.00 0.00 19.45 17.84 2h4g n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2h4g s SER 28 N -1.07 3.78 -0.20 0.00 0.01 -1.26 -5.03 113.70 109.92 2h4g s SER 28 Ca 0.72 2.43 -0.05 0.00 1.31 0.00 0.00 55.95 60.36 2h4g s SER 28 Cb -0.45 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.26 2h4g s SER 28 CO 0.50 -2.55 0.10 -0.62 0.41 0.00 0.00 173.24 171.08 2h4g s ASP 29 N -1.99 2.68 0.22 2.44 2.15 -1.26 -4.95 116.67 115.97 2h4g s ASP 29 Ca 0.75 -0.80 0.10 0.00 0.43 0.00 0.00 52.55 53.03 2h4g s ASP 29 Cb -0.31 -0.29 -0.05 0.00 -0.30 0.00 0.00 42.92 41.98 2h4g s ASP 29 CO 0.48 -0.37 -0.19 -0.36 -0.17 0.00 0.00 175.17 174.56 2h4g s PHE 30 N 2.11 2.05 0.41 -5.34 0.08 -1.26 -5.12 117.98 110.91 2h4g s PHE 30 Ca 0.04 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.42 2h4g s PHE 30 Cb -0.16 -0.95 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 2h4g s PHE 30 CO -0.16 0.51 1.17 -1.25 -0.10 0.00 0.00 175.22 175.39 2h4g s PRO 31 N -3.25 4.01 -0.34 0.24 0.04 -1.26 -4.89 135.00 129.56 2h4g s PRO 31 Ca 0.24 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.19 2h4g s PRO 31 Cb -0.05 -2.64 0.45 0.00 0.04 0.00 0.00 34.50 32.30 2h4g s PRO 31 CO 0.10 -0.35 1.15 0.00 0.04 0.00 0.00 177.00 177.94 2h4g h ARG 33 N 2.35 -0.14 -0.71 0.00 2.43 -1.92 -2.40 114.38 114.00 2h4g h ARG 33 Ca 0.32 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 2h4g h ARG 33 Cb 1.30 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 2h4g h ARG 33 CO 0.77 -0.09 0.42 0.28 -1.51 0.00 0.00 179.97 179.83 2h4g h VAL 34 N -0.14 1.21 0.00 0.20 2.07 -1.92 -2.45 116.25 115.21 2h4g h VAL 34 Ca 0.21 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2h4g h VAL 34 Cb 0.48 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2h4g h VAL 34 CO -0.55 0.22 -0.08 0.00 0.02 0.00 0.00 177.57 177.18 2h4g h ALA 35 N 1.22 1.71 -0.28 1.67 0.00 -1.74 -2.21 119.26 119.62 2h4g h ALA 35 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2h4g h ALA 35 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2h4g h ALA 35 CO -0.05 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.93 2h4g n LYS 36 N -4.21 1.94 -2.16 0.00 4.76 -0.94 -4.70 118.16 112.86 2h4g n LYS 36 Ca -0.03 -1.43 -0.41 0.00 -2.87 0.00 0.00 58.31 53.57 2h4g n LYS 36 Cb 0.16 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 2h4g n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2h4g s LEU 37 N -1.38 4.43 0.37 -0.35 1.43 -0.83 -4.90 118.68 117.44 2h4g s LEU 37 Ca 0.32 2.55 0.16 0.00 -1.03 0.00 0.00 54.13 56.13 2h4g s LEU 37 Cb 0.18 -3.63 1.06 0.00 0.03 0.00 0.00 46.19 43.82 2h4g s LEU 37 CO 0.25 -0.53 1.74 -0.65 0.23 0.00 0.00 176.35 177.39 2h4g h PRO 38 N 4.46 0.41 0.00 1.29 0.11 -1.91 0.14 132.00 136.50 2h4g h PRO 38 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2h4g h PRO 38 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2h4g h PRO 38 CO 0.72 0.27 0.00 0.36 -0.21 0.00 0.00 178.00 179.15 2h4g n LYS 39 N -4.74 0.11 -0.42 1.05 2.85 -1.26 -2.44 118.16 113.32 2h4g n LYS 39 Ca 0.27 0.34 0.08 0.00 -1.05 0.00 0.00 58.31 57.95 2h4g n LYS 39 Cb 0.88 -1.71 0.26 0.00 -0.65 0.00 0.00 35.03 33.81 2h4g n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2h4g n ASN 40 N -1.93 3.92 -0.22 -5.58 3.02 0.49 -4.59 115.26 110.37 2h4g n ASN 40 Ca 0.03 -2.47 -0.04 0.00 -0.03 0.00 0.00 54.58 52.07 2h4g n ASN 40 Cb 0.21 -0.46 0.07 0.00 -0.61 0.00 0.00 39.78 38.99 2h4g n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2h4g h LYS 41 N 2.76 0.71 -0.36 3.52 3.64 -1.47 -1.97 116.57 123.40 2h4g h LYS 41 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2h4g h LYS 41 Cb 1.22 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2h4g h LYS 41 CO 0.15 0.47 0.00 0.27 -2.27 0.00 0.00 179.45 178.07 2h4g n ASN 42 N -4.74 1.15 -0.63 4.20 0.23 -1.26 -3.08 115.26 111.12 2h4g n ASN 42 Ca 0.06 -2.05 0.07 0.00 -0.53 0.00 0.00 54.58 52.13 2h4g n ASN 42 Cb 0.10 -0.22 0.09 0.00 -2.08 0.00 0.00 39.78 37.67 2h4g n ASN 42 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2h4g n ARG 43 N 0.00 1.40 -4.87 -3.83 1.74 -0.74 -4.91 116.66 105.45 2h4g n ARG 43 Ca 0.05 -1.54 -0.33 0.00 -0.77 0.00 0.00 57.85 55.26 2h4g n ARG 43 Cb 0.22 -1.29 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 2h4g n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2h4g s ASN 44 N -1.16 3.72 0.07 0.55 0.01 -1.18 -4.35 114.94 112.60 2h4g s ASN 44 Ca 0.20 -0.41 -0.13 0.00 -0.71 0.00 0.00 52.86 51.81 2h4g s ASN 44 Cb 0.13 -1.55 -0.26 0.00 0.41 0.00 0.00 41.25 39.97 2h4g s ASN 44 CO 0.19 0.15 1.14 -0.09 -1.51 0.00 0.00 177.10 176.98 2h4g h ARG 45 N 6.77 0.60 -5.08 -0.60 2.43 -1.89 -3.44 114.38 113.18 2h4g h ARG 45 Ca -0.25 -0.77 -0.64 0.00 -0.81 0.00 0.00 59.98 57.51 2h4g h ARG 45 Cb 1.22 0.25 -0.34 0.00 -0.42 0.00 0.00 29.97 30.68 2h4g h ARG 45 CO 0.53 1.34 -0.86 0.71 -1.51 0.00 0.00 179.97 180.19 2h4g s TYR 46 N -3.04 2.38 0.30 2.20 2.02 -1.26 -5.02 117.35 114.93 2h4g s TYR 46 Ca -0.09 -1.10 -0.00 0.00 -0.37 0.00 0.00 57.07 55.51 2h4g s TYR 46 Cb 0.06 -1.63 0.50 0.00 -0.40 0.00 0.00 41.96 40.49 2h4g s TYR 46 CO 0.92 -0.50 1.94 -0.09 -1.57 0.00 0.00 175.55 176.25 2h4g h ARG 47 N 7.15 1.02 -0.23 -0.62 2.43 -1.97 -2.57 114.38 119.59 2h4g h ARG 47 Ca -0.28 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2h4g h ARG 47 Cb 1.20 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2h4g h ARG 47 CO 0.51 0.68 0.00 -0.25 -1.51 0.00 0.00 179.97 179.40 2h4g n ASP 48 N -4.46 1.76 -3.88 -3.80 8.00 -1.26 -4.72 116.55 108.20 2h4g n ASP 48 Ca 0.12 -1.81 -0.30 0.00 0.71 0.00 0.00 54.79 53.51 2h4g n ASP 48 Cb 0.13 -0.15 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 2h4g n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h4g s VAL 49 N -1.70 1.49 0.09 2.53 1.01 -0.97 -5.11 120.40 117.74 2h4g s VAL 49 Ca 0.30 -1.61 0.03 0.00 0.00 0.00 0.00 61.98 60.70 2h4g s VAL 49 Cb 0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2h4g s VAL 49 CO 0.23 -0.46 -0.09 -0.44 0.00 0.00 0.00 175.10 174.33 2h4g s SER 50 N 1.34 1.35 0.25 3.32 0.01 -1.26 -4.63 113.70 114.08 2h4g s SER 50 Ca 0.05 -0.82 -0.29 0.00 1.31 0.00 0.00 55.95 56.20 2h4g s SER 50 Cb -0.18 0.02 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 2h4g s SER 50 CO -0.14 -0.29 0.92 -2.16 0.41 0.00 0.00 173.24 171.98 2h4g s PRO 51 N -2.86 4.77 0.55 12.44 0.04 -1.26 -4.61 135.00 144.08 2h4g s PRO 51 Ca 0.05 1.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 2h4g s PRO 51 Cb -0.02 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.28 2h4g s PRO 51 CO -0.01 0.48 1.16 -0.06 0.04 0.00 0.00 177.00 178.61 2h4g s PHE 52 N -1.26 2.58 0.26 0.56 0.08 -1.26 -4.58 117.98 114.36 2h4g s PHE 52 Ca 0.42 1.53 -0.02 0.00 0.12 0.00 0.00 56.93 58.98 2h4g s PHE 52 Cb -0.24 -3.37 0.35 0.00 -0.57 0.00 0.00 43.02 39.19 2h4g s PHE 52 CO 0.30 -1.81 1.79 -0.44 -0.10 0.00 0.00 175.22 174.96 2h4g h ASP 53 N 1.16 0.80 0.31 1.36 3.32 -1.62 -1.99 116.42 119.75 2h4g h ASP 53 Ca -0.50 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 56.32 2h4g h ASP 53 Cb 1.27 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2h4g h ASP 53 CO 0.57 0.81 -0.29 1.12 -1.72 0.00 0.00 179.24 179.72 2h4g h HIS 54 N 0.81 0.00 -0.16 4.55 2.07 -1.92 -3.20 115.15 117.30 2h4g h HIS 54 Ca 0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 2h4g h HIS 54 Cb 0.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.34 2h4g h HIS 54 CO 0.02 0.29 0.00 -1.13 -3.07 0.00 0.00 177.93 174.04 2h4g n SER 55 N -4.15 2.36 -4.77 3.10 3.41 -1.18 -5.04 113.62 107.35 2h4g n SER 55 Ca -0.02 -1.91 -0.34 0.00 -0.26 0.00 0.00 58.87 56.33 2h4g n SER 55 Cb 0.34 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.20 2h4g n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h4g s ARG 56 N -0.94 3.19 -0.22 4.33 1.70 -0.76 -0.64 118.95 125.62 2h4g s ARG 56 Ca 0.11 1.52 -0.21 0.00 -0.47 0.00 0.00 55.73 56.69 2h4g s ARG 56 Cb 0.06 -1.99 -0.02 0.00 -0.57 0.00 0.00 34.95 32.43 2h4g s ARG 56 CO 0.08 -0.96 0.65 0.42 -1.08 0.00 0.00 175.30 174.41 2h4g s ILE 57 N -1.97 4.99 -0.17 4.99 -1.09 -0.60 -4.79 121.20 122.55 2h4g s ILE 57 Ca 0.71 1.22 -0.16 0.00 -2.23 0.00 0.00 60.65 60.19 2h4g s ILE 57 Cb -0.22 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 2h4g s ILE 57 CO 0.32 0.06 0.37 -0.54 -1.23 0.00 0.00 174.94 173.92 2h4g s LYS 58 N 2.19 4.24 0.37 2.79 1.02 -1.26 -4.32 119.74 124.78 2h4g s LYS 58 Ca 0.29 0.21 -0.26 0.00 0.02 0.00 0.00 55.97 56.23 2h4g s LYS 58 Cb -0.16 -3.47 -0.09 0.00 -0.52 0.00 0.00 37.83 33.59 2h4g s LYS 58 CO 0.10 0.11 1.13 -0.51 -0.92 0.00 0.00 175.35 175.26 2h4g s LEU 59 N 0.84 4.26 -1.47 3.17 1.43 -0.10 -4.91 118.68 121.90 2h4g s LEU 59 Ca 0.20 2.28 -0.09 0.00 -1.03 0.00 0.00 54.13 55.48 2h4g s LEU 59 Cb -0.14 -3.97 0.03 0.00 0.03 0.00 0.00 46.19 42.14 2h4g s LEU 59 CO 0.07 -0.52 2.52 1.41 0.23 0.00 0.00 176.35 180.05 2h4g n HIS 60 N 0.29 2.75 -3.95 0.29 8.25 -1.26 -4.62 115.22 116.97 2h4g n HIS 60 Ca 0.03 -2.96 -0.09 0.00 -0.26 0.00 0.00 57.72 54.45 2h4g n HIS 60 Cb 0.47 -2.25 -0.09 0.00 1.12 0.00 0.00 29.99 29.23 2h4g n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2h4g s GLN 61 N 1.21 0.60 0.02 -0.41 -2.07 -1.26 -5.07 119.66 112.68 2h4g s GLN 61 Ca 0.57 -0.86 -0.06 0.00 -1.82 0.00 0.00 55.36 53.20 2h4g s GLN 61 Cb 0.16 0.23 -0.29 0.00 -1.09 0.00 0.00 33.01 32.02 2h4g s GLN 61 CO -0.07 -0.15 0.92 0.93 -1.32 0.00 0.00 175.29 175.60 2h4g h GLU 62 N 3.52 0.31 0.00 9.60 5.08 -2.02 -3.38 114.58 127.69 2h4g h GLU 62 Ca -0.33 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.50 2h4g h GLU 62 Cb 1.18 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2h4g h GLU 62 CO 0.53 1.20 0.00 -3.47 -1.00 0.00 0.00 179.01 176.28 2h4g n ASP 63 N -3.52 0.00 -3.66 1.42 2.03 -1.26 -4.72 116.55 106.84 2h4g n ASP 63 Ca -0.16 0.73 -0.17 0.00 0.52 0.00 0.00 54.79 55.71 2h4g n ASP 63 Cb 1.05 -0.23 -0.16 0.00 -0.72 0.00 0.00 41.12 41.07 2h4g n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2h4g s ASN 64 N -2.48 0.81 -0.11 1.67 3.84 -1.26 -5.04 114.94 112.37 2h4g s ASN 64 Ca 0.00 0.29 0.14 0.00 0.21 0.00 0.00 52.86 53.50 2h4g s ASN 64 Cb 0.00 0.27 0.61 0.00 -0.55 0.00 0.00 41.25 41.57 2h4g s ASN 64 CO 0.00 -0.25 1.48 -0.90 -2.79 0.00 0.00 177.10 174.64 2h4g n ASP 65 N 5.32 4.12 -4.83 -4.21 5.68 -1.26 -4.80 116.55 116.58 2h4g n ASP 65 Ca -0.05 -2.42 -0.37 0.00 -0.50 0.00 0.00 54.79 51.45 2h4g n ASP 65 Cb 0.50 -0.54 -0.06 0.00 -1.14 0.00 0.00 41.12 39.88 2h4g n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2h4g s TYR 66 N -1.89 3.71 -0.26 2.11 5.04 -1.26 -0.93 117.35 123.88 2h4g s TYR 66 Ca 0.42 1.18 -0.22 0.00 -2.44 0.00 0.00 57.07 56.01 2h4g s TYR 66 Cb 0.28 -2.44 0.07 0.00 0.35 0.00 0.00 41.96 40.22 2h4g s TYR 66 CO 0.19 0.51 0.67 -1.50 -1.34 0.00 0.00 175.55 174.09 2h4g s ILE 67 N -1.27 -0.00 -1.13 3.14 2.07 -1.26 -4.90 121.20 117.85 2h4g s ILE 67 Ca 0.33 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.36 2h4g s ILE 67 Cb -0.17 -0.94 0.02 0.00 0.13 0.00 0.00 42.46 41.49 2h4g s ILE 67 CO 0.19 0.00 1.72 0.21 -1.91 0.00 0.00 174.94 175.15 2h4g s ASN 68 N 0.57 6.12 -0.18 4.50 3.84 -1.26 -4.62 114.94 123.90 2h4g s ASN 68 Ca -0.02 -1.70 -0.20 0.00 0.21 0.00 0.00 52.86 51.15 2h4g s ASN 68 Cb -0.05 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.13 2h4g s ASN 68 CO -0.02 -1.89 0.56 0.00 -2.79 0.00 0.00 177.10 172.95 2h4g s ALA 69 N 6.69 -1.38 0.03 1.71 0.00 -1.26 -2.32 121.76 125.22 2h4g s ALA 69 Ca 0.57 1.47 0.08 0.00 0.00 0.00 0.00 51.96 54.08 2h4g s ALA 69 Cb 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2h4g s ALA 69 CO 0.02 -0.27 -0.23 -1.12 0.00 0.00 0.00 175.76 174.16 2h4g s SER 70 N 0.05 2.71 -0.45 0.00 0.01 0.14 -1.56 113.70 114.59 2h4g s SER 70 Ca -0.02 -0.51 -0.19 0.00 1.31 0.00 0.00 55.95 56.55 2h4g s SER 70 Cb -0.04 -0.25 0.03 0.00 0.21 0.00 0.00 66.02 65.97 2h4g s SER 70 CO 0.02 0.22 0.55 -0.22 0.41 0.00 0.00 173.24 174.22 2h4g s LEU 71 N -1.00 4.80 -0.69 2.44 2.96 0.18 -1.04 118.68 126.33 2h4g s LEU 71 Ca 0.09 -0.65 -0.22 0.00 -0.22 0.00 0.00 54.13 53.13 2h4g s LEU 71 Cb -0.09 -2.51 0.07 0.00 0.50 0.00 0.00 46.19 44.17 2h4g s LEU 71 CO 0.01 -0.73 0.99 -0.63 -1.32 0.00 0.00 176.35 174.67 2h4g s ILE 72 N 2.47 4.34 -0.64 6.68 -1.09 0.64 -4.90 121.20 128.71 2h4g s ILE 72 Ca 0.16 -0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 57.97 2h4g s ILE 72 Cb -0.17 -4.70 0.16 0.00 -1.58 0.00 0.00 42.46 36.17 2h4g s ILE 72 CO 0.15 -1.48 0.60 -0.75 -1.23 0.00 0.00 174.94 172.23 2h4g s LYS 73 N 4.00 3.19 -0.73 2.79 2.20 -1.26 -2.09 119.74 127.85 2h4g s LYS 73 Ca 0.23 -1.93 -0.26 0.00 -0.36 0.00 0.00 55.97 53.65 2h4g s LYS 73 Cb -0.16 -4.35 0.04 0.00 -1.51 0.00 0.00 37.83 31.85 2h4g s LYS 73 CO 0.08 -1.33 1.24 -1.64 -0.36 0.00 0.00 175.35 173.34 2h4g s MET 74 N 1.21 3.19 0.08 4.03 -1.94 -0.91 -4.91 119.30 120.05 2h4g s MET 74 Ca 0.08 -0.31 -0.31 0.00 -1.71 0.00 0.00 55.69 53.44 2h4g s MET 74 Cb -0.23 -4.18 -0.16 0.00 2.01 0.00 0.00 34.83 32.27 2h4g s MET 74 CO -0.01 -2.09 1.63 1.49 -0.01 0.00 0.00 175.02 176.03 2h4g h GLU 75 N 9.96 -0.74 -0.23 2.03 4.81 -1.95 0.60 114.58 129.06 2h4g h GLU 75 Ca -0.28 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2h4g h GLU 75 Cb 1.05 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2h4g h GLU 75 CO 1.26 -0.49 0.09 1.49 -0.73 0.00 0.00 179.01 180.63 2h4g h GLU 76 N -0.77 0.35 0.00 1.92 4.81 -1.97 -2.88 114.58 116.04 2h4g h GLU 76 Ca -0.05 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 2h4g h GLU 76 Cb 0.63 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2h4g h GLU 76 CO 0.04 0.39 -0.33 0.00 -0.73 0.00 0.00 179.01 178.39 2h4g h ALA 77 N 0.94 1.33 -2.23 2.92 0.00 -1.94 -3.47 119.26 116.80 2h4g h ALA 77 Ca 0.08 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 2h4g h ALA 77 Cb 0.18 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.93 2h4g h ALA 77 CO -0.01 0.41 -0.30 1.04 0.00 0.00 0.00 179.25 180.40 2h4g n GLN 78 N -3.97 -2.05 -4.14 0.00 6.02 0.19 -4.90 117.38 108.55 2h4g n GLN 78 Ca -0.02 0.47 -0.16 0.00 -0.01 0.00 0.00 57.00 57.29 2h4g n GLN 78 Cb 0.39 -4.43 -0.12 0.00 1.02 0.00 0.00 30.24 27.10 2h4g n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2h4g s ARG 79 N -4.96 0.65 0.15 -1.09 3.52 -1.16 -4.96 118.95 111.10 2h4g s ARG 79 Ca 0.11 -0.77 0.08 0.00 -0.13 0.00 0.00 55.73 55.02 2h4g s ARG 79 Cb -0.05 -0.53 -0.04 0.00 -1.56 0.00 0.00 34.95 32.77 2h4g s ARG 79 CO 0.14 0.11 -0.17 -1.12 -0.81 0.00 0.00 175.30 173.45 2h4g s SER 80 N -1.45 2.46 0.02 -2.12 0.01 -1.26 -2.15 113.70 109.21 2h4g s SER 80 Ca -0.05 -0.83 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 2h4g s SER 80 Cb -0.09 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 2h4g s SER 80 CO 0.01 -0.06 0.05 -0.31 0.41 0.00 0.00 173.24 173.34 2h4g s TYR 81 N -1.99 0.18 -0.32 2.43 1.51 -0.89 -3.83 117.35 114.45 2h4g s TYR 81 Ca 0.13 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.75 2h4g s TYR 81 Cb -0.06 -0.14 0.05 0.00 -0.11 0.00 0.00 41.96 41.70 2h4g s TYR 81 CO 0.05 -0.26 0.04 0.42 -1.11 0.00 0.00 175.55 174.69 2h4g s ILE 82 N -1.71 3.29 -0.23 2.71 1.01 -0.33 -0.26 121.20 125.69 2h4g s ILE 82 Ca -0.13 -1.29 -0.16 0.00 0.00 0.00 0.00 60.65 59.06 2h4g s ILE 82 Cb -0.07 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2h4g s ILE 82 CO -0.01 -0.14 0.42 -0.76 0.00 0.00 0.00 174.94 174.46 2h4g s LEU 83 N 1.31 4.10 0.01 2.97 1.02 -0.21 -0.50 118.68 127.38 2h4g s LEU 83 Ca -0.04 0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.59 2h4g s LEU 83 Cb -0.20 -2.54 -0.01 0.00 0.02 0.00 0.00 46.19 43.47 2h4g s LEU 83 CO 0.00 -0.15 -0.04 0.28 0.02 0.00 0.00 176.35 176.46 2h4g s THR 84 N 1.73 0.29 -0.06 5.49 -1.32 -0.73 -0.68 115.64 120.35 2h4g s THR 84 Ca 0.19 -0.33 -0.08 0.00 -1.21 0.00 0.00 61.69 60.26 2h4g s THR 84 Cb -0.15 -0.28 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 2h4g s THR 84 CO 0.09 -0.04 0.25 1.67 -2.21 0.00 0.00 174.62 174.38 2h4g n GLN 85 N 2.67 0.00 -1.52 7.08 7.27 -0.98 -4.03 117.38 127.88 2h4g n GLN 85 Ca -0.15 0.00 -0.53 0.00 0.07 0.00 0.00 57.00 56.39 2h4g n GLN 85 Cb 0.58 -0.25 -0.06 0.00 2.41 0.00 0.00 30.24 32.92 2h4g n GLN 85 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2h4g n GLY 86 N 0.57 -0.36 3.89 1.69 0.00 -0.95 -4.94 105.19 105.08 2h4g n GLY 86 Ca 0.05 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 2h4g n GLY 86 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2h4g s PRO 87 N -0.23 3.68 0.36 1.61 0.02 -1.26 -4.85 135.00 134.34 2h4g s PRO 87 Ca 0.80 0.37 0.07 0.00 0.02 0.00 0.00 61.00 62.26 2h4g s PRO 87 Cb -1.05 -2.37 -0.00 0.00 0.02 0.00 0.00 34.50 31.09 2h4g s PRO 87 CO 0.54 -0.12 0.51 -0.51 -0.33 0.00 0.00 177.00 177.09 2h4g s LEU 88 N -4.25 3.87 0.43 -5.54 1.43 -1.26 -1.18 118.68 112.17 2h4g s LEU 88 Ca 0.50 -0.24 0.17 0.00 -1.03 0.00 0.00 54.13 53.53 2h4g s LEU 88 Cb -0.10 -2.74 1.07 0.00 0.03 0.00 0.00 46.19 44.45 2h4g s LEU 88 CO 0.38 -0.54 1.89 -0.65 0.23 0.00 0.00 176.35 177.66 2h4g h PRO 89 N 0.80 0.39 -0.01 1.29 0.11 -1.97 -1.72 132.00 130.89 2h4g h PRO 89 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2h4g h PRO 89 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2h4g h PRO 89 CO 0.51 0.26 -0.29 0.27 -0.21 0.00 0.00 178.00 178.54 2h4g n ASN 90 N -4.49 1.42 -0.35 -2.05 6.94 -1.26 -4.26 115.26 111.22 2h4g n ASN 90 Ca 0.16 -1.16 0.03 0.00 -0.02 0.00 0.00 54.58 53.59 2h4g n ASN 90 Cb 0.60 0.22 0.08 0.00 -2.36 0.00 0.00 39.78 38.32 2h4g n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2h4g n THR 91 N -0.33 0.80 -0.07 5.53 -2.24 -0.66 -4.62 114.28 112.68 2h4g n THR 91 Ca 0.12 -0.90 0.01 0.00 -2.27 0.00 0.00 64.05 61.01 2h4g n THR 91 Cb 0.39 0.63 0.31 0.00 -2.10 0.00 0.00 70.33 69.56 2h4g n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h4g h GLY 93 N 0.80 0.94 0.99 0.00 0.00 -1.90 -2.23 103.07 101.67 2h4g h GLY 93 Ca 0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 2h4g h GLY 93 CO -0.02 0.65 0.28 0.45 0.00 0.00 0.00 176.54 177.90 2h4g h HIS 94 N 0.72 0.84 -0.22 5.60 3.86 -1.64 -0.26 115.15 124.05 2h4g h HIS 94 Ca 0.13 -0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 2h4g h HIS 94 Cb 0.55 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 2h4g h HIS 94 CO 0.04 0.64 -0.07 0.35 0.86 0.00 0.00 177.93 179.75 2h4g h PHE 95 N 0.79 -0.16 0.00 2.45 3.57 -0.49 -0.04 116.94 123.07 2h4g h PHE 95 Ca 0.20 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2h4g h PHE 95 Cb 0.12 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2h4g h PHE 95 CO -0.00 -0.12 -0.19 -1.49 -2.23 0.00 0.00 178.31 174.28 2h4g h TRP 96 N -0.03 0.00 -0.36 0.41 4.06 -1.25 -2.04 115.95 116.74 2h4g h TRP 96 Ca 0.11 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.00 2h4g h TRP 96 Cb 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 2h4g h TRP 96 CO -0.24 0.19 -0.01 1.49 -3.56 0.00 0.00 178.44 176.30 2h4g h GLU 97 N 0.00 0.65 -0.24 0.49 4.81 -0.20 -1.21 114.58 118.88 2h4g h GLU 97 Ca -0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2h4g h GLU 97 Cb 0.89 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2h4g h GLU 97 CO 0.02 0.76 0.13 1.98 -0.73 0.00 0.00 179.01 181.18 2h4g h MET 98 N 0.46 0.34 -0.95 1.92 4.05 -0.82 0.96 114.93 120.88 2h4g h MET 98 Ca 0.10 -0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.57 2h4g h MET 98 Cb 0.48 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.14 2h4g h MET 98 CO 0.02 0.31 0.61 0.28 0.23 0.00 0.00 176.91 178.37 2h4g h VAL 99 N 0.28 1.00 0.14 -5.77 2.07 -1.18 0.17 116.25 112.96 2h4g h VAL 99 Ca 0.08 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2h4g h VAL 99 Cb 0.07 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 2h4g h VAL 99 CO -0.01 0.18 -0.07 -0.25 0.02 0.00 0.00 177.57 177.45 2h4g h TRP 100 N 1.01 -0.17 -0.80 1.57 2.91 -0.76 -2.39 115.95 117.33 2h4g h TRP 100 Ca 0.44 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.47 2h4g h TRP 100 Cb 0.34 0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.00 2h4g h TRP 100 CO -0.00 0.29 0.53 0.93 -1.03 0.00 0.00 178.44 179.16 2h4g h GLU 101 N -0.81 1.03 -0.00 2.65 5.08 -0.54 -1.88 114.58 120.10 2h4g h GLU 101 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2h4g h GLU 101 Cb 0.54 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2h4g h GLU 101 CO 0.03 0.68 -0.07 1.04 -1.00 0.00 0.00 179.01 179.69 2h4g n GLN 102 N -4.42 0.24 -2.79 2.33 1.13 0.58 -4.93 117.38 109.51 2h4g n GLN 102 Ca 0.09 -0.04 -0.17 0.00 -1.94 0.00 0.00 57.00 54.95 2h4g n GLN 102 Cb 0.05 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.92 2h4g n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2h4g n LYS 103 N -1.35 -3.49 -2.46 -1.09 5.02 -0.71 -4.10 118.16 109.97 2h4g n LYS 103 Ca 0.10 0.69 -0.34 0.00 -2.02 0.00 0.00 58.31 56.73 2h4g n LYS 103 Cb 0.30 -5.06 -0.02 0.00 -0.02 0.00 0.00 35.03 30.22 2h4g n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2h4g s SER 104 N -2.75 6.18 -0.01 4.39 0.01 -0.93 -0.61 113.70 119.99 2h4g s SER 104 Ca 0.21 2.00 0.10 0.00 1.31 0.00 0.00 55.95 59.58 2h4g s SER 104 Cb -0.09 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.42 2h4g s SER 104 CO 0.26 -0.89 0.26 -1.14 0.41 0.00 0.00 173.24 172.13 2h4g n ARG 105 N -1.02 0.95 -4.11 12.44 0.63 -1.26 -4.87 116.66 119.42 2h4g n ARG 105 Ca 0.10 -0.08 -0.15 0.00 -0.92 0.00 0.00 57.85 56.80 2h4g n ARG 105 Cb 0.52 -1.19 -0.12 0.00 0.45 0.00 0.00 32.46 32.12 2h4g n ARG 105 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2h4g s GLY 106 N -2.94 0.63 -0.10 5.14 0.00 -1.26 -0.83 107.32 107.96 2h4g s GLY 106 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.86 2h4g s GLY 106 CO 0.42 -0.88 -0.11 0.14 0.00 0.00 0.00 173.10 172.67 2h4g s VAL 107 N -1.32 1.17 -0.37 1.40 1.01 -0.20 -1.81 120.40 120.29 2h4g s VAL 107 Ca -0.07 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 2h4g s VAL 107 Cb -0.10 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.22 2h4g s VAL 107 CO 0.01 0.38 0.16 -0.69 0.00 0.00 0.00 175.10 174.96 2h4g s VAL 108 N 1.22 3.86 -0.27 2.92 1.01 0.46 -0.62 120.40 128.99 2h4g s VAL 108 Ca -0.04 -1.31 -0.12 0.00 0.00 0.00 0.00 61.98 60.51 2h4g s VAL 108 Cb -0.14 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2h4g s VAL 108 CO -0.03 -0.33 0.23 -0.32 0.00 0.00 0.00 175.10 174.65 2h4g s MET 109 N 1.38 3.98 0.00 2.72 0.00 0.44 -1.53 119.30 126.30 2h4g s MET 109 Ca 0.01 -0.22 0.15 0.00 0.00 0.00 0.00 55.69 55.64 2h4g s MET 109 Cb -0.21 -3.64 0.28 0.00 0.00 0.00 0.00 34.83 31.26 2h4g s MET 109 CO 0.02 -0.17 1.18 1.28 0.00 0.00 0.00 175.02 177.33 2h4g n LEU 110 N 5.02 2.83 -4.49 4.11 4.77 -0.20 -0.36 117.00 128.67 2h4g n LEU 110 Ca -0.13 -1.51 -0.24 0.00 -0.03 0.00 0.00 56.01 54.10 2h4g n LEU 110 Cb 0.52 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 2h4g n LEU 110 CO 0.34 0.63 -0.21 0.54 -1.33 0.00 0.00 177.39 177.35 2h4g s ASN 111 N -1.16 2.62 0.14 -1.43 2.20 -1.25 -4.59 114.94 111.48 2h4g s ASN 111 Ca 0.26 -1.59 0.05 0.00 -0.94 0.00 0.00 52.86 50.64 2h4g s ASN 111 Cb 0.15 0.36 -0.04 0.00 -2.00 0.00 0.00 41.25 39.72 2h4g s ASN 111 CO 0.21 -0.85 0.06 -0.13 -2.94 0.00 0.00 177.10 173.45 2h4g s ARG 112 N -3.77 2.70 0.25 3.55 0.52 -1.26 -4.78 118.95 116.16 2h4g s ARG 112 Ca 0.27 -0.89 -0.04 0.00 -0.52 0.00 0.00 55.73 54.56 2h4g s ARG 112 Cb 0.04 -2.57 0.39 0.00 0.52 0.00 0.00 34.95 33.34 2h4g s ARG 112 CO 0.15 0.50 1.84 0.28 0.02 0.00 0.00 175.30 178.09 2h4g h VAL 113 N 2.42 1.00 -3.30 3.52 2.07 -1.95 -3.40 116.25 116.61 2h4g h VAL 113 Ca -0.47 -0.33 -0.67 0.00 0.82 0.00 0.00 66.70 66.05 2h4g h VAL 113 Cb 1.19 -0.05 -0.30 0.00 -1.52 0.00 0.00 31.29 30.60 2h4g h VAL 113 CO 0.62 0.18 -0.81 -0.32 0.02 0.00 0.00 177.57 177.25 2h4g s MET 114 N -6.04 3.22 -0.01 1.57 -2.45 -1.26 -1.04 119.30 113.29 2h4g s MET 114 Ca -0.12 -0.77 0.01 0.00 -1.25 0.00 0.00 55.69 53.56 2h4g s MET 114 Cb 0.19 -2.53 0.01 0.00 1.25 0.00 0.00 34.83 33.75 2h4g s MET 114 CO 0.80 0.12 -0.03 -1.21 1.05 0.00 0.00 175.02 175.75 2h4g s GLU 115 N 0.53 0.36 -1.59 4.11 2.02 -0.10 -4.87 118.70 119.15 2h4g s GLU 115 Ca -0.11 -0.08 -0.09 0.00 0.02 0.00 0.00 54.97 54.71 2h4g s GLU 115 Cb -0.16 -0.40 0.08 0.00 0.10 0.00 0.00 34.13 33.75 2h4g s GLU 115 CO 0.04 0.01 0.49 1.63 0.02 0.00 0.00 175.26 177.45 2h4g n LYS 116 N 3.40 -2.50 0.00 1.61 5.02 -1.26 -0.34 118.16 124.09 2h4g n LYS 116 Ca -0.18 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2h4g n LYS 116 Cb 0.56 -4.56 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 2h4g n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2h4g n GLY 117 N -1.80 2.27 3.75 0.72 0.00 -1.26 -4.99 105.19 103.89 2h4g n GLY 117 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2h4g n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h4g s SER 118 N -3.41 5.46 -0.95 1.61 0.01 0.54 -5.05 113.70 111.90 2h4g s SER 118 Ca 0.00 0.02 -0.22 0.00 1.31 0.00 0.00 55.95 57.05 2h4g s SER 118 Cb 0.00 -1.47 0.07 0.00 0.21 0.00 0.00 66.02 64.83 2h4g s SER 118 CO 0.00 0.22 1.32 -0.76 0.41 0.00 0.00 173.24 174.43 2h4g s LEU 119 N -2.07 3.90 0.00 2.44 1.43 -1.26 -0.93 118.68 122.19 2h4g s LEU 119 Ca 0.26 -1.46 0.26 0.00 -1.03 0.00 0.00 54.13 52.16 2h4g s LEU 119 Cb -0.12 -2.52 1.33 0.00 0.03 0.00 0.00 46.19 44.92 2h4g s LEU 119 CO 0.18 -1.43 1.87 0.29 0.23 0.00 0.00 176.35 177.48 2h4g n LYS 120 N 8.30 0.45 -3.63 1.70 4.76 -0.21 -4.83 118.16 124.70 2h4g n LYS 120 Ca 0.25 0.04 -0.08 0.00 -2.87 0.00 0.00 58.31 55.65 2h4g n LYS 120 Cb 0.50 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.12 2h4g n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h4g s ALA 122 N -0.01 2.23 -1.00 0.00 0.00 -0.33 -4.75 121.76 117.91 2h4g s ALA 122 Ca 0.04 0.47 -0.23 0.00 0.00 0.00 0.00 51.96 52.23 2h4g s ALA 122 Cb -0.04 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.78 2h4g s ALA 122 CO -0.07 -1.72 1.52 -1.14 0.00 0.00 0.00 175.76 174.35 2h4g s GLN 123 N -4.49 3.43 0.00 0.00 2.00 -1.26 -4.80 119.66 114.54 2h4g s GLN 123 Ca 0.65 -0.99 0.15 0.00 -2.00 0.00 0.00 55.36 53.17 2h4g s GLN 123 Cb -0.20 -5.31 0.42 0.00 0.80 0.00 0.00 33.01 28.73 2h4g s GLN 123 CO 0.50 -2.39 1.35 2.48 -0.50 0.00 0.00 175.29 176.74 2h4g n TYR 124 N 9.66 0.64 -3.95 1.67 0.18 -1.26 -4.87 117.16 119.23 2h4g n TYR 124 Ca 0.34 -0.49 -0.10 0.00 1.88 0.00 0.00 57.90 59.53 2h4g n TYR 124 Cb 0.50 -0.02 -0.11 0.00 -0.38 0.00 0.00 39.34 39.34 2h4g n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2h4g s TRP 125 N -1.00 0.20 0.21 -3.48 -2.14 -1.26 -5.04 118.94 106.42 2h4g s TRP 125 Ca 0.32 -0.42 -0.30 0.00 2.66 0.00 0.00 56.10 58.36 2h4g s TRP 125 Cb 0.17 -0.15 -0.09 0.00 -3.10 0.00 0.00 33.47 30.30 2h4g s TRP 125 CO 0.22 -0.20 1.24 -1.25 -2.66 0.00 0.00 176.95 174.30 2h4g s PRO 126 N -1.39 4.45 0.00 3.25 0.04 -1.26 -4.95 135.00 135.14 2h4g s PRO 126 Ca -0.15 1.97 0.25 0.00 0.04 0.00 0.00 61.00 63.11 2h4g s PRO 126 Cb -0.09 -3.21 0.54 0.00 0.04 0.00 0.00 34.50 31.79 2h4g s PRO 126 CO -0.00 -0.14 1.43 1.04 0.04 0.00 0.00 177.00 179.37 2h4g n GLN 127 N 2.33 0.25 -3.76 4.56 6.02 -1.26 -4.62 117.38 120.90 2h4g n GLN 127 Ca 0.04 -0.15 -0.14 0.00 -0.01 0.00 0.00 57.00 56.74 2h4g n GLN 127 Cb 0.44 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.05 2h4g n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2h4g s LYS 128 N -2.85 0.02 0.21 -1.09 1.02 -1.26 -5.06 119.74 110.72 2h4g s LYS 128 Ca 0.15 0.28 -0.19 0.00 0.02 0.00 0.00 55.97 56.23 2h4g s LYS 128 Cb 0.18 -0.22 0.19 0.00 -0.52 0.00 0.00 37.83 37.45 2h4g s LYS 128 CO 0.65 -0.17 1.57 0.93 -0.92 0.00 0.00 175.35 177.41 2h4g h GLU 129 N 7.31 -0.08 0.00 1.68 3.07 -1.90 0.14 114.58 124.80 2h4g h GLU 129 Ca -0.44 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2h4g h GLU 129 Cb 1.13 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 2h4g h GLU 129 CO 0.44 -0.06 0.00 -0.85 -1.40 0.00 0.00 179.01 177.15 2h4g n GLU 130 N -5.46 0.00 -3.65 2.33 0.00 -1.26 -4.07 120.64 108.52 2h4g n GLU 130 Ca 0.07 0.35 -0.34 0.00 0.00 0.00 0.00 57.16 57.25 2h4g n GLU 130 Cb 0.38 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.24 2h4g n GLU 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2h4g n LYS 131 N -1.50 2.52 -2.62 3.44 4.76 0.48 -5.08 118.16 120.16 2h4g n LYS 131 Ca 0.02 -4.51 -0.32 0.00 -2.87 0.00 0.00 58.31 50.63 2h4g n LYS 131 Cb 0.10 -2.37 -0.05 0.00 -1.84 0.00 0.00 35.03 30.87 2h4g n LYS 131 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2h4g s GLU 132 N -1.58 4.01 -0.07 1.97 1.03 -1.26 -4.56 118.70 118.24 2h4g s GLU 132 Ca 0.28 0.93 -0.03 0.00 0.03 0.00 0.00 54.97 56.18 2h4g s GLU 132 Cb -0.04 -2.20 -0.04 0.00 -0.80 0.00 0.00 34.13 31.06 2h4g s GLU 132 CO -0.12 -0.15 0.08 -1.64 -1.33 0.00 0.00 175.26 172.11 2h4g s MET 133 N -3.72 3.19 -0.15 -4.83 -1.94 0.18 -4.95 119.30 107.09 2h4g s MET 133 Ca 0.59 -0.33 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 2h4g s MET 133 Cb -0.10 -2.97 0.03 0.00 2.01 0.00 0.00 34.83 33.80 2h4g s MET 133 CO 0.25 0.71 -0.11 0.42 -0.01 0.00 0.00 175.02 176.28 2h4g s ILE 134 N -1.06 1.43 -0.73 2.53 1.01 -1.26 0.19 121.20 123.31 2h4g s ILE 134 Ca 0.18 -0.62 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 2h4g s ILE 134 Cb -0.12 -1.41 0.16 0.00 0.01 0.00 0.00 42.46 41.10 2h4g s ILE 134 CO 0.08 0.36 0.76 -0.36 0.00 0.00 0.00 174.94 175.77 2h4g s PHE 135 N 1.53 3.37 0.56 3.97 0.08 0.14 -4.93 117.98 122.70 2h4g s PHE 135 Ca 0.04 -1.50 0.25 0.00 0.12 0.00 0.00 56.93 55.84 2h4g s PHE 135 Cb -0.14 -3.94 1.57 0.00 -0.57 0.00 0.00 43.02 39.94 2h4g s PHE 135 CO -0.10 -1.15 2.14 1.49 -0.10 0.00 0.00 175.22 177.50 2h4g h GLU 136 N 8.52 0.00 0.00 0.44 4.81 -1.97 -1.13 114.58 125.26 2h4g h GLU 136 Ca -0.07 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 2h4g h GLU 136 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2h4g h GLU 136 CO 0.95 0.00 -0.80 0.38 -0.73 0.00 0.00 179.01 178.81 2h4g h ASP 137 N 0.00 0.02 -0.16 1.04 2.03 -1.96 -3.29 116.42 114.10 2h4g h ASP 137 Ca 0.06 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 2h4g h ASP 137 Cb 0.30 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2h4g h ASP 137 CO -0.00 0.81 0.00 0.35 -1.03 0.00 0.00 179.24 179.37 2h4g n THR 138 N -3.60 0.53 -3.52 1.15 -2.24 -1.10 -5.02 114.28 100.48 2h4g n THR 138 Ca -0.01 -0.77 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 2h4g n THR 138 Cb 0.77 0.83 0.05 0.00 -2.10 0.00 0.00 70.33 69.88 2h4g n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2h4g n ASN 139 N 0.43 -5.60 -4.01 3.42 5.15 -0.45 -4.92 115.26 109.28 2h4g n ASN 139 Ca 0.08 -0.89 -0.12 0.00 -0.60 0.00 0.00 54.58 53.05 2h4g n ASN 139 Cb 0.32 -4.12 -0.12 0.00 -0.53 0.00 0.00 39.78 35.33 2h4g n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2h4g s LEU 140 N -6.07 2.21 -0.01 1.20 1.43 -1.09 -2.05 118.68 114.31 2h4g s LEU 140 Ca 0.44 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.17 2h4g s LEU 140 Cb -0.12 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.02 2h4g s LEU 140 CO 0.81 -0.20 -0.25 -0.75 0.23 0.00 0.00 176.35 176.19 2h4g s LYS 141 N -1.29 1.99 -0.07 1.70 2.20 -0.43 -0.68 119.74 123.15 2h4g s LYS 141 Ca -0.10 -0.93 0.02 0.00 -0.36 0.00 0.00 55.97 54.60 2h4g s LYS 141 Cb -0.09 -1.96 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 2h4g s LYS 141 CO -0.00 0.53 -0.12 -1.17 -0.36 0.00 0.00 175.35 174.23 2h4g s LEU 142 N -0.70 1.63 -0.04 5.43 2.96 0.13 -1.15 118.68 126.93 2h4g s LEU 142 Ca 0.10 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2h4g s LEU 142 Cb -0.10 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.77 2h4g s LEU 142 CO -0.00 0.03 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.05 2h4g s THR 143 N 0.71 1.02 -0.10 3.68 2.01 -0.74 -0.64 115.64 121.57 2h4g s THR 143 Ca -0.14 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 2h4g s THR 143 Cb -0.16 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 2h4g s THR 143 CO 0.03 0.31 1.15 -0.22 -0.69 0.00 0.00 174.62 175.21 2h4g s LEU 144 N 0.34 4.23 -0.18 4.42 2.96 -1.26 -0.73 118.68 128.46 2h4g s LEU 144 Ca -0.07 1.69 0.07 0.00 -0.22 0.00 0.00 54.13 55.59 2h4g s LEU 144 Cb -0.12 -3.55 -0.22 0.00 0.50 0.00 0.00 46.19 42.80 2h4g s LEU 144 CO 0.02 -0.60 0.10 -0.38 -1.32 0.00 0.00 176.35 174.17 2h4g n ILE 145 N 4.81 1.53 -3.63 6.68 2.08 0.20 -4.34 119.36 126.71 2h4g n ILE 145 Ca 0.11 -0.70 0.00 0.00 0.56 0.00 0.00 62.75 62.72 2h4g n ILE 145 Cb 0.46 -1.14 -0.01 0.00 -0.75 0.00 0.00 39.64 38.20 2h4g n ILE 145 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2h4g s SER 146 N -6.26 -0.09 -0.22 4.38 1.04 -1.07 -5.00 113.70 106.49 2h4g s SER 146 Ca -0.21 -0.14 -0.19 0.00 0.48 0.00 0.00 55.95 55.89 2h4g s SER 146 Cb 0.08 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.45 2h4g s SER 146 CO 0.73 -0.35 0.58 -1.83 0.98 0.00 0.00 173.24 173.35 2h4g s GLU 147 N -2.51 0.66 -0.49 4.02 -1.05 -1.26 -1.19 118.70 116.87 2h4g s GLU 147 Ca 0.13 0.84 -0.03 0.00 -0.15 0.00 0.00 54.97 55.76 2h4g s GLU 147 Cb 0.03 0.29 0.13 0.00 -0.44 0.00 0.00 34.13 34.14 2h4g s GLU 147 CO -0.04 -0.09 0.30 0.34 0.95 0.00 0.00 175.26 176.72 2h4g s ASP 148 N 0.50 5.26 -0.09 0.83 2.15 0.04 -4.97 116.67 120.39 2h4g s ASP 148 Ca -0.02 -2.33 -0.30 0.00 0.43 0.00 0.00 52.55 50.34 2h4g s ASP 148 Cb -0.04 -1.84 -0.02 0.00 -0.30 0.00 0.00 42.92 40.72 2h4g s ASP 148 CO -0.02 -0.48 1.03 -0.63 -0.17 0.00 0.00 175.17 174.90 2h4g s ILE 149 N 0.70 4.72 0.00 4.11 1.01 -1.26 -2.15 121.20 128.34 2h4g s ILE 149 Ca 0.11 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.75 2h4g s ILE 149 Cb -0.22 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2h4g s ILE 149 CO -0.04 0.02 0.00 0.29 0.00 0.00 0.00 174.94 175.21 2h4g n LYS 150 N 4.93 2.50 0.05 2.79 4.76 -0.45 -5.02 118.16 127.72 2h4g n LYS 150 Ca 0.09 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.49 2h4g n LYS 150 Cb 0.49 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.87 2h4g n LYS 150 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2h4g h SER 151 N 0.00 0.40 0.00 4.39 0.87 -0.88 -3.36 113.55 114.96 2h4g h SER 151 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2h4g h SER 151 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2h4g h SER 151 CO 0.00 0.73 0.00 0.00 -0.53 0.00 0.00 176.83 177.03 2h4g n TYR 152 N -4.06 0.00 -3.54 2.24 4.11 -1.26 -5.01 117.16 109.64 2h4g n TYR 152 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.73 2h4g n TYR 152 Cb 0.46 0.05 -0.05 0.00 -0.00 0.00 0.00 39.34 39.80 2h4g n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 2h4g s TYR 153 N 0.00 -0.54 0.05 -3.48 1.13 -1.26 -0.72 117.35 112.53 2h4g s TYR 153 Ca 0.00 0.77 0.06 0.00 -1.41 0.00 0.00 57.07 56.49 2h4g s TYR 153 Cb 0.00 0.39 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 2h4g s TYR 153 CO 0.00 -0.64 -0.16 0.99 -2.51 0.00 0.00 175.55 173.23 2h4g s THR 154 N -1.93 1.30 -0.19 -3.49 2.01 0.78 -1.35 115.64 112.77 2h4g s THR 154 Ca -0.08 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 60.79 2h4g s THR 154 Cb -0.01 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.35 2h4g s THR 154 CO 0.03 0.01 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.10 2h4g s VAL 155 N -0.93 2.14 -0.12 3.82 1.01 -0.91 -0.38 120.40 125.02 2h4g s VAL 155 Ca 0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2h4g s VAL 155 Cb -0.09 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2h4g s VAL 155 CO 0.02 0.46 -0.07 -0.13 0.00 0.00 0.00 175.10 175.37 2h4g s ARG 156 N 1.27 3.27 -0.36 2.72 0.52 0.92 -0.78 118.95 126.52 2h4g s ARG 156 Ca 0.03 -0.58 -0.17 0.00 -0.52 0.00 0.00 55.73 54.50 2h4g s ARG 156 Cb -0.14 -2.72 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 2h4g s ARG 156 CO -0.12 0.38 0.44 -1.14 0.02 0.00 0.00 175.30 174.89 2h4g s GLN 157 N -0.05 3.51 0.31 3.54 0.74 -0.33 0.33 119.66 127.70 2h4g s GLN 157 Ca -0.00 -0.36 0.08 0.00 0.05 0.00 0.00 55.36 55.13 2h4g s GLN 157 Cb -0.13 -3.83 -0.04 0.00 1.10 0.00 0.00 33.01 30.10 2h4g s GLN 157 CO 0.03 -0.63 0.12 -0.51 -0.55 0.00 0.00 175.29 173.75 2h4g s LEU 158 N 2.20 3.35 -0.18 3.68 1.43 -0.40 0.62 118.68 129.38 2h4g s LEU 158 Ca 0.15 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2h4g s LEU 158 Cb -0.16 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.22 2h4g s LEU 158 CO 0.13 -0.18 -0.18 -0.70 0.23 0.00 0.00 176.35 175.65 2h4g s GLU 159 N -3.81 2.74 -0.24 1.70 2.12 0.09 -1.69 118.70 119.61 2h4g s GLU 159 Ca 0.35 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.77 2h4g s GLU 159 Cb -0.05 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 2h4g s GLU 159 CO 0.23 -0.26 0.11 -1.17 -0.54 0.00 0.00 175.26 173.63 2h4g s LEU 160 N 1.31 3.80 -0.11 2.70 2.96 0.38 -1.78 118.68 127.95 2h4g s LEU 160 Ca 0.03 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2h4g s LEU 160 Cb -0.14 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.54 2h4g s LEU 160 CO -0.12 0.04 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.03 2h4g s GLU 161 N 1.21 2.89 -0.67 1.98 2.12 -0.30 0.06 118.70 125.98 2h4g s GLU 161 Ca 0.06 -0.82 -0.26 0.00 0.36 0.00 0.00 54.97 54.31 2h4g s GLU 161 Cb -0.14 -2.26 0.04 0.00 0.26 0.00 0.00 34.13 32.03 2h4g s GLU 161 CO 0.05 0.08 1.15 1.21 -0.54 0.00 0.00 175.26 177.21 2h4g s ASN 162 N 0.58 6.23 0.57 -1.70 3.84 -0.13 -1.32 114.94 123.01 2h4g s ASN 162 Ca -0.13 -0.49 0.26 0.00 0.21 0.00 0.00 52.86 52.71 2h4g s ASN 162 Cb -0.17 -2.51 1.58 0.00 -0.55 0.00 0.00 41.25 39.60 2h4g s ASN 162 CO 0.04 -1.62 2.11 -0.07 -2.79 0.00 0.00 177.10 174.77 2h4g h LEU 163 N 12.22 0.00 -0.35 3.21 3.38 -1.71 1.14 115.31 133.21 2h4g h LEU 163 Ca -0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2h4g h LEU 163 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2h4g h LEU 163 CO 1.22 0.00 -0.03 0.74 0.09 0.00 0.00 178.44 180.47 2h4g h THR 164 N 0.00 1.27 0.00 0.22 2.02 -1.90 -3.27 112.91 111.24 2h4g h THR 164 Ca 0.08 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2h4g h THR 164 Cb 0.42 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2h4g h THR 164 CO -0.00 0.34 -1.10 0.35 0.37 0.00 0.00 175.52 175.48 2h4g n THR 165 N -4.48 0.00 -1.04 3.16 -2.24 -0.88 -4.98 114.28 103.82 2h4g n THR 165 Ca -0.02 -0.17 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 2h4g n THR 165 Cb 0.29 0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 2h4g n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h4g n GLN 166 N -1.61 -0.94 -2.86 -0.78 6.02 0.39 -5.00 117.38 112.61 2h4g n GLN 166 Ca 0.02 0.33 -0.35 0.00 -0.01 0.00 0.00 57.00 56.99 2h4g n GLN 166 Cb 0.33 -4.08 -0.07 0.00 1.02 0.00 0.00 30.24 27.44 2h4g n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2h4g s GLU 167 N -1.23 4.34 0.15 -1.09 2.12 -1.21 -4.83 118.70 116.95 2h4g s GLU 167 Ca 0.00 1.13 0.08 0.00 0.36 0.00 0.00 54.97 56.54 2h4g s GLU 167 Cb 0.00 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 2h4g s GLU 167 CO 0.00 0.14 -0.17 0.95 -0.54 0.00 0.00 175.26 175.64 2h4g s THR 168 N -1.89 1.64 0.02 -1.70 -4.23 -1.26 -0.95 115.64 107.26 2h4g s THR 168 Ca 0.55 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.20 2h4g s THR 168 Cb -0.13 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 2h4g s THR 168 CO 0.18 -0.35 0.01 -0.13 -0.54 0.00 0.00 174.62 173.79 2h4g s ARG 169 N -2.75 0.35 -0.20 3.99 0.52 0.11 -4.97 118.95 115.99 2h4g s ARG 169 Ca 0.13 -0.56 -0.18 0.00 -0.52 0.00 0.00 55.73 54.60 2h4g s ARG 169 Cb -0.05 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.51 2h4g s ARG 169 CO 0.05 -0.06 0.48 -2.00 0.02 0.00 0.00 175.30 173.79 2h4g s GLU 170 N -1.44 4.18 -0.14 3.54 2.12 -1.26 -0.47 118.70 125.23 2h4g s GLU 170 Ca -0.16 0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.52 2h4g s GLU 170 Cb -0.09 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 2h4g s GLU 170 CO -0.00 -0.13 -0.16 0.42 -0.54 0.00 0.00 175.26 174.85 2h4g s ILE 171 N 1.59 2.74 -0.14 -3.70 -1.09 -0.68 -4.84 121.20 115.08 2h4g s ILE 171 Ca 0.22 -0.76 -0.13 0.00 -2.23 0.00 0.00 60.65 57.75 2h4g s ILE 171 Cb -0.15 -2.14 -0.05 0.00 -1.58 0.00 0.00 42.46 38.54 2h4g s ILE 171 CO 0.09 0.52 0.30 -0.76 -1.23 0.00 0.00 174.94 173.86 2h4g s LEU 172 N 0.56 4.28 -0.23 2.97 1.43 -0.01 -1.28 118.68 126.39 2h4g s LEU 172 Ca -0.10 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 2h4g s LEU 172 Cb -0.16 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 2h4g s LEU 172 CO 0.04 0.14 -0.02 -2.28 0.23 0.00 0.00 176.35 174.46 2h4g s HIS 173 N 0.21 3.00 -0.38 0.29 2.46 0.15 -1.03 115.29 119.98 2h4g s HIS 173 Ca 0.17 -0.92 -0.06 0.00 0.47 0.00 0.00 55.06 54.72 2h4g s HIS 173 Cb -0.13 -2.13 0.07 0.00 -0.13 0.00 0.00 32.58 30.26 2h4g s HIS 173 CO 0.05 -0.54 0.18 -0.06 -2.47 0.00 0.00 174.74 171.90 2h4g s PHE 174 N 1.49 3.36 -0.38 3.88 0.08 0.21 -0.05 117.98 126.57 2h4g s PHE 174 Ca 0.05 -1.73 -0.11 0.00 0.12 0.00 0.00 56.93 55.26 2h4g s PHE 174 Cb -0.15 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.58 2h4g s PHE 174 CO -0.02 -0.84 0.21 -1.58 -0.10 0.00 0.00 175.22 172.89 2h4g s HIS 175 N 1.34 3.25 -0.37 0.36 2.46 0.49 -0.42 115.29 122.39 2h4g s HIS 175 Ca 0.02 -0.95 -0.21 0.00 0.47 0.00 0.00 55.06 54.39 2h4g s HIS 175 Cb -0.22 -2.45 0.01 0.00 -0.13 0.00 0.00 32.58 29.79 2h4g s HIS 175 CO 0.01 -0.65 0.67 -0.47 -2.47 0.00 0.00 174.74 171.82 2h4g s TYR 176 N 1.56 3.13 -2.46 3.88 5.04 0.51 -0.15 117.35 128.86 2h4g s TYR 176 Ca 0.02 0.33 0.23 0.00 -2.44 0.00 0.00 57.07 55.21 2h4g s TYR 176 Cb -0.19 -3.23 0.09 0.00 0.35 0.00 0.00 41.96 38.98 2h4g s TYR 176 CO 0.07 -0.69 1.15 0.25 -1.34 0.00 0.00 175.55 174.99 2h4g n THR 177 N 5.68 0.00 -1.48 4.34 -2.24 0.10 -3.77 114.28 116.90 2h4g n THR 177 Ca -0.00 -0.39 0.05 0.00 -2.27 0.00 0.00 64.05 61.43 2h4g n THR 177 Cb 0.48 1.37 0.20 0.00 -2.10 0.00 0.00 70.33 70.29 2h4g n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2h4g n THR 178 N 0.67 2.23 -3.50 4.28 -2.24 -1.21 -4.85 114.28 109.66 2h4g n THR 178 Ca 0.11 -2.99 -0.42 0.00 -2.27 0.00 0.00 64.05 58.48 2h4g n THR 178 Cb 0.52 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.41 2h4g n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2h4g s TRP 179 N -3.18 3.29 0.45 4.78 -0.11 -1.26 -4.68 118.94 118.23 2h4g s TRP 179 Ca 0.38 -1.25 -0.25 0.00 1.22 0.00 0.00 56.10 56.20 2h4g s TRP 179 Cb 0.36 -3.09 -0.08 0.00 -1.50 0.00 0.00 33.47 29.17 2h4g s TRP 179 CO -0.04 -0.83 1.35 -2.14 -4.62 0.00 0.00 176.95 170.67 2h4g s PRO 180 N 1.53 3.72 0.32 5.86 0.02 -1.26 -4.82 135.00 140.36 2h4g s PRO 180 Ca 0.04 2.25 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 2h4g s PRO 180 Cb -0.24 -2.62 -0.10 0.00 0.02 0.00 0.00 34.50 31.56 2h4g s PRO 180 CO 0.04 -0.73 1.33 0.16 -0.33 0.00 0.00 177.00 177.47 2h4g s ASP 181 N -0.71 6.73 -0.99 2.53 -4.77 -1.26 -1.09 116.67 117.11 2h4g s ASP 181 Ca 0.61 2.71 0.00 0.00 -3.30 0.00 0.00 52.55 52.57 2h4g s ASP 181 Cb -0.40 -2.65 0.00 0.00 -1.09 0.00 0.00 42.92 38.78 2h4g s ASP 181 CO 0.51 -0.58 0.00 0.49 0.70 0.00 0.00 175.17 176.29 2h4g n PHE 182 N 0.98 0.00 -3.75 2.11 3.72 -1.26 -4.93 117.46 114.33 2h4g n PHE 182 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2h4g n PHE 182 Cb 0.41 -2.34 0.00 0.00 -0.94 0.00 0.00 39.48 36.62 2h4g n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h4g n GLY 183 N -0.38 5.02 3.27 1.37 0.00 -0.25 -4.91 105.19 109.31 2h4g n GLY 183 Ca -0.09 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.68 2h4g n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h4g s VAL 184 N -0.64 1.16 1.16 1.61 -7.23 -1.26 -4.79 120.40 110.41 2h4g s VAL 184 Ca 0.00 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 2h4g s VAL 184 Cb 0.00 -1.95 0.27 0.00 0.56 0.00 0.00 36.38 35.26 2h4g s VAL 184 CO 0.00 -0.66 0.90 -2.65 -0.31 0.00 0.00 175.10 172.38 2h4g n PRO 185 N -0.24 -2.32 0.24 4.82 -0.02 -1.26 -4.50 135.00 131.72 2h4g n PRO 185 Ca -0.09 -0.65 0.12 0.00 -2.02 0.00 0.00 63.50 60.87 2h4g n PRO 185 Cb 0.61 -2.12 0.52 0.00 -0.02 0.00 0.00 33.50 32.49 2h4g n PRO 185 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2h4g h GLU 186 N -2.60 0.00 -2.10 -0.52 5.08 -1.99 -3.46 114.58 108.99 2h4g h GLU 186 Ca -0.60 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 57.90 2h4g h GLU 186 Cb 1.33 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.42 2h4g h GLU 186 CO 0.47 0.14 0.57 -1.54 -1.00 0.00 0.00 179.01 177.65 2h4g s SER 187 N -6.03 -0.31 0.53 1.42 1.04 -1.26 -5.01 113.70 104.08 2h4g s SER 187 Ca 0.01 -0.01 0.24 0.00 0.48 0.00 0.00 55.95 56.68 2h4g s SER 187 Cb 0.10 0.33 1.45 0.00 0.10 0.00 0.00 66.02 68.00 2h4g s SER 187 CO 0.61 -0.54 2.12 -0.65 0.98 0.00 0.00 173.24 175.76 2h4g h PRO 188 N 2.00 0.00 -0.26 4.02 0.11 -1.93 -2.64 132.00 133.30 2h4g h PRO 188 Ca -0.19 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 2h4g h PRO 188 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2h4g h PRO 188 CO 0.29 0.09 -0.05 0.00 -0.21 0.00 0.00 178.00 178.12 2h4g h ALA 189 N 1.91 0.35 -0.22 -0.75 0.00 -1.95 0.34 119.26 118.95 2h4g h ALA 189 Ca -0.00 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2h4g h ALA 189 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2h4g h ALA 189 CO 0.01 0.14 0.08 0.77 0.00 0.00 0.00 179.25 180.26 2h4g h SER 190 N 0.24 0.10 0.41 0.00 0.02 -1.72 0.41 113.55 113.00 2h4g h SER 190 Ca 0.07 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2h4g h SER 190 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2h4g h SER 190 CO 0.02 0.09 -0.20 0.15 -1.14 0.00 0.00 176.83 175.75 2h4g h PHE 191 N 0.19 -0.51 -0.81 3.45 3.57 -1.42 -2.26 116.94 119.16 2h4g h PHE 191 Ca 0.09 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2h4g h PHE 191 Cb 0.05 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2h4g h PHE 191 CO -0.11 -0.25 0.53 -0.07 -2.23 0.00 0.00 178.31 176.17 2h4g h LEU 192 N -0.66 0.88 -0.36 0.59 3.38 -0.85 0.16 115.31 118.44 2h4g h LEU 192 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2h4g h LEU 192 Cb 0.48 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2h4g h LEU 192 CO 0.09 0.61 0.23 -1.13 0.09 0.00 0.00 178.44 178.34 2h4g h ASN 193 N 1.02 0.42 -0.23 -0.43 -1.24 -0.82 0.73 115.58 115.03 2h4g h ASN 193 Ca 0.31 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 2h4g h ASN 193 Cb -0.01 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 2h4g h ASN 193 CO -0.09 0.31 0.08 0.15 -1.29 0.00 0.00 177.43 176.60 2h4g h PHE 194 N 0.48 0.35 -0.88 0.67 3.57 -0.71 -1.96 116.94 118.47 2h4g h PHE 194 Ca 0.13 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.66 2h4g h PHE 194 Cb -0.04 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 2h4g h PHE 194 CO -0.05 0.40 0.55 1.25 -2.23 0.00 0.00 178.31 178.24 2h4g h LEU 195 N 0.20 0.88 -1.16 0.59 5.85 -0.43 -1.47 115.31 119.77 2h4g h LEU 195 Ca 0.07 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 2h4g h LEU 195 Cb 0.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2h4g h LEU 195 CO -0.00 0.57 -0.31 -0.26 -0.34 0.00 0.00 178.44 178.10 2h4g h PHE 196 N 1.02 0.00 -0.40 1.25 -1.00 -0.63 -0.92 116.94 116.26 2h4g h PHE 196 Ca 0.38 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 61.03 2h4g h PHE 196 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2h4g h PHE 196 CO -0.03 0.31 -0.28 0.87 -1.61 0.00 0.00 178.31 177.57 2h4g h LYS 197 N 0.00 0.84 -0.13 1.51 1.79 -0.50 -0.41 116.57 119.67 2h4g h LYS 197 Ca -0.00 -0.38 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 2h4g h LYS 197 Cb 0.75 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2h4g h LYS 197 CO 0.04 1.01 -0.00 0.28 -1.08 0.00 0.00 179.45 179.70 2h4g h VAL 198 N 0.72 1.25 -0.06 0.50 2.07 -0.98 -2.74 116.25 117.02 2h4g h VAL 198 Ca 0.08 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2h4g h VAL 198 Cb 0.82 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2h4g h VAL 198 CO 0.07 0.24 -0.02 0.03 0.02 0.00 0.00 177.57 177.91 2h4g h ARG 199 N -0.04 -0.01 0.00 1.57 3.08 -1.05 -2.51 114.38 115.43 2h4g h ARG 199 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2h4g h ARG 199 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2h4g h ARG 199 CO 0.01 -0.01 -0.00 0.93 -1.07 0.00 0.00 179.97 179.83 2h4g h GLU 200 N -0.01 0.00 0.00 0.04 5.08 -1.06 -1.62 114.58 117.01 2h4g h GLU 200 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2h4g h GLU 200 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2h4g h GLU 200 CO -0.06 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.61 2h4g h SER 201 N 0.00 0.00 0.00 1.42 4.64 -1.13 -3.46 113.55 115.02 2h4g h SER 201 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h4g h SER 201 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2h4g h SER 201 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2h4g n GLY 202 N 0.09 1.58 0.37 -0.77 0.00 -0.61 -4.92 105.19 100.93 2h4g n GLY 202 Ca 0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.23 2h4g n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2h4g h SER 203 N 0.00 0.00 0.25 1.61 0.02 -1.77 -1.22 113.55 112.44 2h4g h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2h4g h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2h4g h SER 203 CO 0.00 0.00 -0.16 0.18 -1.14 0.00 0.00 176.83 175.71 2h4g n LEU 204 N -4.40 0.82 -4.66 5.07 4.77 -1.26 -4.52 117.00 112.83 2h4g n LEU 204 Ca 0.08 -0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.50 2h4g n LEU 204 Cb 0.54 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2h4g n LEU 204 CO 0.37 0.15 0.69 -0.24 -1.33 0.00 0.00 177.39 177.03 2h4g n SER 205 N -0.69 1.48 0.03 -1.43 2.88 -0.46 -4.88 113.62 110.55 2h4g n SER 205 Ca 0.14 0.91 0.09 0.00 -1.33 0.00 0.00 58.87 58.68 2h4g n SER 205 Cb 0.31 -1.44 0.39 0.00 -0.75 0.00 0.00 64.21 62.72 2h4g n SER 205 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2h4g n PRO 206 N -0.78 0.05 0.00 -1.46 -0.04 -1.26 -2.35 135.00 129.16 2h4g n PRO 206 Ca 0.12 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.98 2h4g n PRO 206 Cb 0.45 -1.59 0.71 0.00 -0.04 0.00 0.00 33.50 33.03 2h4g n PRO 206 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2h4g n GLU 207 N -1.69 0.36 -4.18 0.54 1.02 -1.26 -4.79 120.64 110.65 2h4g n GLU 207 Ca 0.04 0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.95 2h4g n GLU 207 Cb 0.21 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.06 2h4g n GLU 207 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2h4g s HIS 208 N -2.62 2.64 0.97 -0.32 3.76 -0.99 -5.13 115.29 113.60 2h4g s HIS 208 Ca 0.26 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 54.61 2h4g s HIS 208 Cb 0.19 -1.64 0.17 0.00 1.11 0.00 0.00 32.58 32.42 2h4g s HIS 208 CO 0.45 0.36 1.11 0.20 -0.85 0.00 0.00 174.74 176.01 2h4g s GLY 209 N -3.81 1.57 0.48 -2.22 0.00 0.22 -4.94 107.32 98.62 2h4g s GLY 209 Ca 0.37 -0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.45 2h4g s GLY 209 CO 0.22 0.19 1.42 2.56 0.00 0.00 0.00 173.10 177.48 2h4g s PRO 210 N -5.06 3.52 0.28 2.90 0.04 -1.26 -4.44 135.00 130.99 2h4g s PRO 210 Ca 0.65 2.39 -0.29 0.00 0.04 0.00 0.00 61.00 63.78 2h4g s PRO 210 Cb -0.17 -2.55 -0.10 0.00 0.04 0.00 0.00 34.50 31.72 2h4g s PRO 210 CO 0.56 -0.94 1.27 0.54 0.04 0.00 0.00 177.00 178.48 2h4g s VAL 211 N -1.22 3.00 -0.12 -0.36 0.11 -1.25 -4.45 120.40 116.10 2h4g s VAL 211 Ca 0.64 0.95 -0.23 0.00 -2.93 0.00 0.00 61.98 60.40 2h4g s VAL 211 Cb -0.43 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 30.79 2h4g s VAL 211 CO 0.54 0.20 0.71 -0.69 -3.33 0.00 0.00 175.10 172.54 2h4g s VAL 212 N -0.78 5.00 -0.05 2.04 1.01 -0.75 -1.19 120.40 125.68 2h4g s VAL 212 Ca 0.50 1.42 0.05 0.00 0.00 0.00 0.00 61.98 63.96 2h4g s VAL 212 Cb -0.37 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2h4g s VAL 212 CO 0.46 0.16 -0.20 -0.69 0.00 0.00 0.00 175.10 174.84 2h4g s VAL 213 N 1.39 1.67 -0.21 2.92 1.01 0.34 -0.41 120.40 127.12 2h4g s VAL 213 Ca 0.35 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2h4g s VAL 213 Cb -0.17 -1.43 0.07 0.00 0.00 0.00 0.00 36.38 34.85 2h4g s VAL 213 CO 0.15 0.47 0.53 -1.38 0.00 0.00 0.00 175.10 174.87 2h4g s HIS 214 N 0.01 -0.78 0.00 5.22 -3.43 -0.58 -1.76 115.29 113.96 2h4g s HIS 214 Ca -0.05 1.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.83 2h4g s HIS 214 Cb -0.13 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.43 2h4g s HIS 214 CO 0.03 -0.41 0.00 0.00 -2.00 0.00 0.00 174.74 172.36 2h4g n SER 216 N 0.00 1.92 0.07 0.00 2.88 -1.26 -2.24 113.62 115.00 2h4g n SER 216 Ca 0.00 0.38 0.12 0.00 -1.33 0.00 0.00 58.87 58.03 2h4g n SER 216 Cb 0.00 -0.83 0.08 0.00 -0.75 0.00 0.00 64.21 62.71 2h4g n SER 216 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h4g n ALA 217 N -4.12 2.85 -1.73 -1.46 0.00 -1.26 -2.74 120.51 112.06 2h4g n ALA 217 Ca -0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 52.78 2h4g n ALA 217 Cb 0.70 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 2h4g n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h4g n GLY 218 N 1.28 0.37 0.00 0.00 0.00 -1.26 -3.95 105.19 101.63 2h4g n GLY 218 Ca 0.02 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2h4g n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2h4g n ILE 219 N -3.64 0.00 0.00 -0.61 -5.35 -1.26 -4.44 119.36 104.06 2h4g n ILE 219 Ca -0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 2h4g n ILE 219 Cb 0.38 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 2h4g n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2h4g n GLY 220 N 0.92 0.05 0.30 3.28 0.00 -1.26 0.03 105.19 108.52 2h4g n GLY 220 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2h4g n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2h4g h ARG 221 N 0.00 1.03 -0.99 1.61 3.08 -1.95 -2.05 114.38 115.11 2h4g h ARG 221 Ca 0.00 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 59.98 2h4g h ARG 221 Cb 0.00 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 29.78 2h4g h ARG 221 CO 0.00 0.73 0.65 0.77 -1.07 0.00 0.00 179.97 181.06 2h4g h SER 222 N 1.04 1.11 -0.46 7.04 0.02 -1.86 -1.08 113.55 119.35 2h4g h SER 222 Ca 0.27 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2h4g h SER 222 Cb -0.03 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 2h4g h SER 222 CO -0.05 0.77 -0.21 1.23 -1.14 0.00 0.00 176.83 177.44 2h4g h GLY 223 N 1.29 1.04 1.11 -3.77 0.00 -1.13 -2.04 103.07 99.57 2h4g h GLY 223 Ca 0.38 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 2h4g h GLY 223 CO -0.11 0.84 0.40 -0.84 0.00 0.00 0.00 176.54 176.83 2h4g h THR 224 N 0.81 1.25 -0.23 4.70 2.02 -0.90 -0.20 112.91 120.35 2h4g h THR 224 Ca 0.11 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 2h4g h THR 224 Cb 0.78 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2h4g h THR 224 CO 0.06 0.30 -0.10 0.15 0.37 0.00 0.00 175.52 176.30 2h4g h PHE 225 N 1.15 0.55 -0.31 3.16 3.04 -1.08 -2.88 116.94 120.57 2h4g h PHE 225 Ca 0.28 -0.13 -0.13 0.00 3.98 0.00 0.00 57.97 61.96 2h4g h PHE 225 Cb 0.10 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 2h4g h PHE 225 CO 0.01 0.74 -0.35 0.00 -2.02 0.00 0.00 178.31 176.70 2h4g h LEU 227 N 0.58 0.01 -0.71 0.00 5.85 -1.06 -0.59 115.31 119.38 2h4g h LEU 227 Ca 0.06 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.75 2h4g h LEU 227 Cb 0.87 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 2h4g h LEU 227 CO 0.08 0.08 0.43 0.00 -0.34 0.00 0.00 178.44 178.69 2h4g h ALA 228 N 0.93 0.95 0.40 1.25 0.00 -1.49 -0.88 119.26 120.43 2h4g h ALA 228 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2h4g h ALA 228 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2h4g h ALA 228 CO -0.00 0.17 -0.19 0.22 0.00 0.00 0.00 179.25 179.45 2h4g h ASP 229 N 0.82 -0.46 -0.81 0.00 3.58 -1.22 -1.92 116.42 116.41 2h4g h ASP 229 Ca 0.30 -0.07 0.07 0.00 0.42 0.00 0.00 57.03 57.75 2h4g h ASP 229 Cb 0.09 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 2h4g h ASP 229 CO -0.14 -0.20 0.48 0.74 -2.88 0.00 0.00 179.24 177.24 2h4g h THR 230 N -0.71 0.98 -0.79 2.25 2.02 -0.97 0.08 112.91 115.77 2h4g h THR 230 Ca -0.06 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 2h4g h THR 230 Cb 0.51 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 2h4g h THR 230 CO 0.09 0.16 0.32 0.00 0.37 0.00 0.00 175.52 176.46 2h4g h LEU 232 N 1.14 0.62 -1.29 0.00 3.38 -0.66 -2.70 115.31 115.80 2h4g h LEU 232 Ca 0.26 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2h4g h LEU 232 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2h4g h LEU 232 CO -0.02 0.96 0.18 0.25 0.09 0.00 0.00 178.44 179.89 2h4g h LEU 233 N 0.30 0.60 0.47 1.67 5.85 -0.77 0.47 115.31 123.91 2h4g h LEU 233 Ca 0.04 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2h4g h LEU 233 Cb 0.77 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2h4g h LEU 233 CO 0.06 0.56 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.41 2h4g h LEU 234 N 0.66 -0.54 -2.14 2.25 3.38 -0.86 -0.41 115.31 117.66 2h4g h LEU 234 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2h4g h LEU 234 Cb 0.15 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2h4g h LEU 234 CO -0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 178.44 178.26 2h4g h MET 235 N -0.90 0.00 -0.20 1.13 -0.00 -1.40 -1.75 114.93 111.81 2h4g h MET 235 Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.46 2h4g h MET 235 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2h4g h MET 235 CO 0.11 0.05 -0.54 0.22 -0.00 0.00 0.00 176.91 176.75 2h4g h ASP 236 N 0.00 0.82 0.06 -0.10 3.58 -0.61 0.97 116.42 121.14 2h4g h ASP 236 Ca -0.00 -0.58 -0.04 0.00 0.42 0.00 0.00 57.03 56.83 2h4g h ASP 236 Cb 0.27 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2h4g h ASP 236 CO 0.01 1.25 -0.11 0.11 -2.88 0.00 0.00 179.24 177.62 2h4g h LYS 237 N 0.42 0.13 0.00 0.28 1.57 -0.17 -2.85 116.57 115.95 2h4g h LYS 237 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2h4g h LYS 237 Cb 1.16 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.45 2h4g h LYS 237 CO 0.12 0.25 -0.89 0.54 -0.57 0.00 0.00 179.45 178.90 2h4g n ARG 238 N -4.34 1.62 -3.90 3.15 1.74 -1.03 -4.97 116.66 108.93 2h4g n ARG 238 Ca -0.01 -0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.76 2h4g n ARG 238 Cb 0.23 -1.26 0.02 0.00 -1.02 0.00 0.00 32.46 30.42 2h4g n ARG 238 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2h4g n LYS 239 N -1.47 -4.90 -3.40 5.56 4.76 0.33 -4.94 118.16 114.10 2h4g n LYS 239 Ca 0.02 0.56 -0.22 0.00 -2.87 0.00 0.00 58.31 55.80 2h4g n LYS 239 Cb 0.27 -5.27 -0.09 0.00 -1.84 0.00 0.00 35.03 28.09 2h4g n LYS 239 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2h4g s ASP 240 N -3.67 1.88 0.35 4.39 2.15 -0.80 -5.03 116.67 115.94 2h4g s ASP 240 Ca 0.45 -1.80 0.10 0.00 0.43 0.00 0.00 52.55 51.73 2h4g s ASP 240 Cb -0.23 0.19 0.87 0.00 -0.30 0.00 0.00 42.92 43.45 2h4g s ASP 240 CO 0.84 -0.28 1.82 -0.65 -0.17 0.00 0.00 175.17 176.73 2h4g h PRO 241 N 7.07 0.62 0.00 4.34 0.11 -1.92 -1.90 132.00 140.31 2h4g h PRO 241 Ca 0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2h4g h PRO 241 Cb 1.02 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2h4g h PRO 241 CO 0.23 0.41 0.00 0.43 -0.21 0.00 0.00 178.00 178.86 2h4g n SER 242 N -4.64 0.66 -0.88 -2.05 7.64 -1.26 -2.78 113.62 110.31 2h4g n SER 242 Ca 0.21 0.68 0.05 0.00 1.01 0.00 0.00 58.87 60.81 2h4g n SER 242 Cb 0.60 -0.81 0.17 0.00 -1.01 0.00 0.00 64.21 63.16 2h4g n SER 242 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2h4g n SER 243 N -2.25 2.48 -4.24 6.43 3.41 -0.72 -4.53 113.62 114.21 2h4g n SER 243 Ca 0.02 -2.20 -0.35 0.00 -0.26 0.00 0.00 58.87 56.08 2h4g n SER 243 Cb 0.21 -0.39 -0.14 0.00 -0.26 0.00 0.00 64.21 63.62 2h4g n SER 243 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2h4g s VAL 244 N -1.67 3.03 -0.47 -3.33 1.01 -1.12 -4.97 120.40 112.89 2h4g s VAL 244 Ca 0.24 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 2h4g s VAL 244 Cb 0.16 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 34.19 2h4g s VAL 244 CO 0.12 0.35 0.38 -0.62 0.00 0.00 0.00 175.10 175.32 2h4g s ASP 245 N 1.40 5.98 0.15 3.32 -1.08 -1.26 -4.68 116.67 120.50 2h4g s ASP 245 Ca 0.04 -1.52 -0.17 0.00 -0.52 0.00 0.00 52.55 50.38 2h4g s ASP 245 Cb -0.15 -2.12 0.03 0.00 -1.46 0.00 0.00 42.92 39.22 2h4g s ASP 245 CO -0.05 -0.66 1.76 0.40 0.52 0.00 0.00 175.17 177.13 2h4g h ILE 246 N 5.90 0.93 -0.77 4.11 2.04 -1.99 -0.69 117.51 127.05 2h4g h ILE 246 Ca -0.27 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 2h4g h ILE 246 Cb 1.10 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2h4g h ILE 246 CO 0.88 0.05 0.30 0.11 0.00 0.00 0.00 178.15 179.48 2h4g h LYS 247 N 0.27 1.17 -0.68 2.37 1.57 -1.99 -0.68 116.57 118.59 2h4g h LYS 247 Ca 0.14 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 2h4g h LYS 247 Cb 0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2h4g h LYS 247 CO -0.13 0.96 0.20 -0.22 -0.57 0.00 0.00 179.45 179.68 2h4g h LYS 248 N 1.13 1.06 -0.36 3.15 3.64 -1.92 -0.68 116.57 122.59 2h4g h LYS 248 Ca 0.26 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2h4g h LYS 248 Cb 0.24 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2h4g h LYS 248 CO -0.02 0.92 -0.22 0.28 -2.27 0.00 0.00 179.45 178.14 2h4g h VAL 249 N 1.02 1.27 -0.39 2.00 2.07 -0.64 -2.47 116.25 119.11 2h4g h VAL 249 Ca 0.22 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 2h4g h VAL 249 Cb 0.31 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2h4g h VAL 249 CO -0.00 0.43 -0.20 0.25 0.02 0.00 0.00 177.57 178.07 2h4g h LEU 250 N 0.62 0.76 -0.60 2.57 5.85 -0.67 -2.14 115.31 121.70 2h4g h LEU 250 Ca 0.09 -0.26 -0.13 0.00 0.84 0.00 0.00 57.88 58.42 2h4g h LEU 250 Cb 0.71 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2h4g h LEU 250 CO 0.05 0.95 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.79 2h4g h LEU 251 N 0.67 0.88 -0.66 2.25 3.38 -0.88 -1.29 115.31 119.66 2h4g h LEU 251 Ca 0.10 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2h4g h LEU 251 Cb 0.70 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2h4g h LEU 251 CO 0.05 1.08 0.36 -0.08 0.09 0.00 0.00 178.44 179.94 2h4g h GLU 252 N 0.74 0.92 -0.14 1.13 4.57 -1.37 -2.15 114.58 118.26 2h4g h GLU 252 Ca 0.09 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 2h4g h GLU 252 Cb 0.79 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2h4g h GLU 252 CO 0.07 0.69 -0.29 0.52 -1.18 0.00 0.00 179.01 178.82 2h4g h MET 253 N 0.90 0.27 0.00 1.92 2.86 -0.90 -3.00 114.93 116.97 2h4g h MET 253 Ca 0.23 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2h4g h MET 253 Cb 0.05 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2h4g h MET 253 CO -0.04 0.55 0.00 0.54 1.06 0.00 0.00 176.91 179.02 2h4g n ARG 254 N -4.12 0.72 0.21 1.72 1.74 -0.53 -1.84 116.66 114.57 2h4g n ARG 254 Ca -0.01 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.19 2h4g n ARG 254 Cb 0.40 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.50 2h4g n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2h4g h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.42 -3.33 116.57 118.95 2h4g h LYS 255 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2h4g h LYS 255 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2h4g h LYS 255 CO 0.00 0.00 -1.83 1.19 -0.57 0.00 0.00 179.45 178.24 2h4g n PHE 256 N -3.08 0.00 -3.64 -1.35 3.72 -0.76 -4.94 117.46 107.42 2h4g n PHE 256 Ca 0.04 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.35 2h4g n PHE 256 Cb 0.53 -0.42 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 2h4g n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2h4g s ARG 257 N -3.29 0.65 0.74 -1.08 3.52 -1.18 -4.56 118.95 113.74 2h4g s ARG 257 Ca -0.07 0.94 -0.12 0.00 -0.13 0.00 0.00 55.73 56.35 2h4g s ARG 257 Cb 0.12 0.22 0.04 0.00 -1.56 0.00 0.00 34.95 33.77 2h4g s ARG 257 CO 0.78 -0.11 1.11 0.00 -0.81 0.00 0.00 175.30 176.27 2h4g s MET 258 N 0.96 2.38 -0.51 5.12 0.23 -1.26 -4.18 119.30 122.04 2h4g s MET 258 Ca -0.04 1.31 0.00 0.00 -1.03 0.00 0.00 55.69 55.93 2h4g s MET 258 Cb -0.05 -1.90 0.00 0.00 -1.53 0.00 0.00 34.83 31.35 2h4g s MET 258 CO -0.11 -1.57 0.00 0.41 -2.03 0.00 0.00 175.02 171.73 2h4g n GLY 259 N -0.76 0.73 3.64 3.16 0.00 -1.26 -4.90 105.19 105.80 2h4g n GLY 259 Ca 0.10 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2h4g n GLY 259 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h4g s LEU 260 N -1.09 4.11 0.21 0.99 1.43 -1.26 -4.33 118.68 118.74 2h4g s LEU 260 Ca 0.00 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 2h4g s LEU 260 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2h4g s LEU 260 CO 0.00 -1.30 0.00 -0.38 0.23 0.00 0.00 176.35 174.90 2h4g n ILE 261 N 6.22 -3.47 0.00 -0.59 5.41 0.11 -4.94 119.36 122.10 2h4g n ILE 261 Ca 0.22 1.37 0.00 0.00 1.00 0.00 0.00 62.75 65.35 2h4g n ILE 261 Cb 0.43 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 2h4g n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2h4g n GLN 262 N -0.13 2.39 -4.26 0.38 1.13 -1.26 -4.91 117.38 110.72 2h4g n GLN 262 Ca 0.00 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 2h4g n GLN 262 Cb 0.00 -0.80 -0.10 0.00 0.11 0.00 0.00 30.24 29.45 2h4g n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2h4g s THR 263 N -1.33 0.84 0.33 5.09 -4.23 -1.26 -5.04 115.64 110.04 2h4g s THR 263 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 2h4g s THR 263 Cb 0.00 -2.08 0.19 0.00 1.34 0.00 0.00 72.50 71.95 2h4g s THR 263 CO 0.00 -0.52 1.91 0.00 -0.54 0.00 0.00 174.62 175.46 2h4g h ALA 264 N 2.68 1.26 -0.12 3.99 0.00 -1.95 -2.81 119.26 122.32 2h4g h ALA 264 Ca -0.37 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.13 2h4g h ALA 264 Cb 1.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2h4g h ALA 264 CO 0.63 0.32 -0.67 0.22 0.00 0.00 0.00 179.25 179.76 2h4g h ASP 265 N 0.00 0.57 -0.16 0.00 3.58 -1.96 -0.93 116.42 117.52 2h4g h ASP 265 Ca -0.00 -0.34 -0.08 0.00 0.42 0.00 0.00 57.03 57.02 2h4g h ASP 265 Cb 0.57 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2h4g h ASP 265 CO 0.03 1.08 -0.14 1.56 -2.88 0.00 0.00 179.24 178.89 2h4g h GLN 266 N 0.35 0.54 -0.49 0.28 4.20 -1.82 0.21 115.11 118.39 2h4g h GLN 266 Ca -0.02 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.42 2h4g h GLN 266 Cb 1.23 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2h4g h GLN 266 CO 0.12 0.68 -0.08 1.25 -0.67 0.00 0.00 178.83 180.13 2h4g h LEU 267 N 0.50 0.92 -0.79 1.46 5.85 -1.29 -0.55 115.31 121.41 2h4g h LEU 267 Ca 0.09 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 2h4g h LEU 267 Cb 0.54 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2h4g h LEU 267 CO 0.03 1.05 0.04 -0.09 -0.34 0.00 0.00 178.44 179.13 2h4g h ARG 268 N 0.78 0.96 -0.42 1.25 2.43 -0.63 -2.63 114.38 116.11 2h4g h ARG 268 Ca 0.13 -0.26 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 2h4g h ARG 268 Cb 0.62 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2h4g h ARG 268 CO 0.04 0.92 -0.20 0.35 -1.51 0.00 0.00 179.97 179.57 2h4g h PHE 269 N 0.89 0.92 -0.36 2.20 3.04 -0.30 -2.54 116.94 120.79 2h4g h PHE 269 Ca 0.17 -0.21 0.06 0.00 3.98 0.00 0.00 57.97 61.98 2h4g h PHE 269 Cb 0.47 -0.22 -0.06 0.00 2.56 0.00 0.00 35.95 38.70 2h4g h PHE 269 CO 0.03 0.95 0.01 0.77 -2.02 0.00 0.00 178.31 178.04 2h4g h SER 270 N 0.72 -0.14 -0.13 0.41 0.02 -0.75 0.18 113.55 113.86 2h4g h SER 270 Ca 0.10 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2h4g h SER 270 Cb 0.72 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.36 2h4g h SER 270 CO 0.06 -0.03 -0.16 1.88 -1.14 0.00 0.00 176.83 177.43 2h4g h TYR 271 N 0.11 -0.42 -0.54 3.45 -1.99 -1.33 -0.68 116.97 115.57 2h4g h TYR 271 Ca 0.18 0.02 0.07 0.00 2.00 0.00 0.00 58.73 61.00 2h4g h TYR 271 Cb 0.24 0.21 -0.06 0.00 2.00 0.00 0.00 36.73 39.12 2h4g h TYR 271 CO -0.25 -0.24 0.21 1.25 -0.00 0.00 0.00 178.16 179.14 2h4g h LEU 272 N -0.20 0.23 -0.30 3.88 5.85 -0.97 0.24 115.31 124.05 2h4g h LEU 272 Ca 0.10 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 2h4g h LEU 272 Cb 0.34 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2h4g h LEU 272 CO -0.25 0.16 -0.17 0.00 -0.34 0.00 0.00 178.44 177.84 2h4g h ALA 273 N 1.35 0.43 -0.33 1.25 0.00 -0.29 -1.29 119.26 120.37 2h4g h ALA 273 Ca 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2h4g h ALA 273 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2h4g h ALA 273 CO -0.25 0.34 0.08 0.28 0.00 0.00 0.00 179.25 179.70 2h4g h VAL 274 N 0.40 1.22 -0.47 0.00 2.07 -0.86 0.29 116.25 118.89 2h4g h VAL 274 Ca 0.06 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2h4g h VAL 274 Cb 0.70 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2h4g h VAL 274 CO 0.05 0.25 0.29 0.40 0.02 0.00 0.00 177.57 178.58 2h4g h ILE 275 N 0.38 1.07 -0.26 4.57 2.04 -0.49 0.11 117.51 124.93 2h4g h ILE 275 Ca 0.10 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2h4g h ILE 275 Cb 0.29 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2h4g h ILE 275 CO 0.00 0.11 -0.03 -0.08 0.00 0.00 0.00 178.15 178.15 2h4g h GLU 276 N 0.59 0.48 0.00 2.37 4.57 -1.07 -3.02 114.58 118.50 2h4g h GLU 276 Ca 0.19 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2h4g h GLU 276 Cb -0.01 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2h4g h GLU 276 CO -0.07 0.67 -0.08 0.78 -1.18 0.00 0.00 179.01 179.13 2h4g h GLY 277 N 0.25 0.00 2.00 1.92 0.00 -0.08 -2.53 103.07 104.62 2h4g h GLY 277 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2h4g h GLY 277 CO 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.49 2h4g h ALA 278 N 1.92 1.73 -0.57 3.60 0.00 -0.84 -2.38 119.26 122.72 2h4g h ALA 278 Ca -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2h4g h ALA 278 Cb 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2h4g h ALA 278 CO 0.01 0.09 0.28 0.87 0.00 0.00 0.00 179.25 180.50 2h4g h LYS 279 N 0.00 0.51 0.29 0.00 1.57 -1.58 0.85 116.57 118.22 2h4g h LYS 279 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2h4g h LYS 279 Cb 0.14 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2h4g h LYS 279 CO 0.01 0.34 -0.14 0.35 -0.57 0.00 0.00 179.45 179.44 2h4g h PHE 280 N 0.53 -0.37 -1.00 -1.35 3.57 -1.54 -1.36 116.94 115.42 2h4g h PHE 280 Ca 0.26 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.98 2h4g h PHE 280 Cb 0.19 0.12 -0.10 0.00 2.79 0.00 0.00 35.95 38.95 2h4g h PHE 280 CO -0.11 -0.06 0.62 0.82 -2.23 0.00 0.00 178.31 177.36 2h4g h ILE 281 N -0.68 0.61 -0.35 1.41 1.08 -1.25 0.68 117.51 119.01 2h4g h ILE 281 Ca -0.04 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 2h4g h ILE 281 Cb 0.47 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 2h4g h ILE 281 CO 0.07 0.11 0.00 0.23 -0.69 0.00 0.00 178.15 177.86 2h4g n MET 282 N -4.73 2.00 0.00 2.37 2.81 0.27 -4.87 117.12 114.96 2h4g n MET 282 Ca 0.24 -1.53 0.00 0.00 -1.81 0.00 0.00 57.70 54.60 2h4g n MET 282 Cb 0.71 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 2h4g n MET 282 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2h4g n GLY 283 N 1.23 1.07 3.53 3.03 0.00 0.23 -5.04 105.19 109.23 2h4g n GLY 283 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2h4g n GLY 283 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h4g s ASP 284 N -0.46 6.75 0.52 1.61 -1.08 -0.55 -4.85 116.67 118.63 2h4g s ASP 284 Ca 0.00 -2.20 0.30 0.00 -0.52 0.00 0.00 52.55 50.13 2h4g s ASP 284 Cb 0.00 -2.51 1.38 0.00 -1.46 0.00 0.00 42.92 40.33 2h4g s ASP 284 CO 0.00 -1.16 2.01 0.28 0.52 0.00 0.00 175.17 176.82 2h4g h SER 285 N 8.35 0.00 0.24 -0.34 0.02 -1.83 -3.17 113.55 116.81 2h4g h SER 285 Ca 0.30 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2h4g h SER 285 Cb 0.94 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 2h4g h SER 285 CO 1.35 0.10 -0.09 0.77 -1.14 0.00 0.00 176.83 177.83 2h4g h SER 286 N 0.00 0.00 -0.13 3.07 4.64 -1.96 -2.73 113.55 116.43 2h4g h SER 286 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2h4g h SER 286 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2h4g h SER 286 CO 0.01 0.09 0.09 -0.37 -0.87 0.00 0.00 176.83 175.78 2h4g h VAL 287 N 0.00 1.01 -0.46 0.95 -1.51 -1.94 -2.33 116.25 111.97 2h4g h VAL 287 Ca -0.00 -0.05 0.05 0.00 -1.23 0.00 0.00 66.70 65.47 2h4g h VAL 287 Cb 0.23 0.86 -0.05 0.00 -2.13 0.00 0.00 31.29 30.20 2h4g h VAL 287 CO 0.01 0.03 0.20 -0.61 -1.23 0.00 0.00 177.57 175.96 2h4g h GLN 288 N 0.14 0.38 0.00 5.19 4.15 -1.73 0.15 115.11 123.39 2h4g h GLN 288 Ca 0.05 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2h4g h GLN 288 Cb 0.03 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 2h4g h GLN 288 CO -0.01 0.25 -0.33 -0.44 -1.93 0.00 0.00 178.83 176.38 2h4g h ASP 289 N 0.39 0.00 0.07 -0.69 3.32 -1.61 -2.66 116.42 115.25 2h4g h ASP 289 Ca 0.21 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 2h4g h ASP 289 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2h4g h ASP 289 CO -0.18 0.33 -0.76 1.56 -1.72 0.00 0.00 179.24 178.47 2h4g h GLN 290 N 0.00 0.59 -0.40 3.56 4.20 -0.91 -2.08 115.11 120.06 2h4g h GLN 290 Ca -0.00 -0.48 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 2h4g h GLN 290 Cb 0.65 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 2h4g h GLN 290 CO 0.04 1.10 -0.06 -1.49 -0.67 0.00 0.00 178.83 177.75 2h4g h TRP 291 N 0.40 0.73 -0.50 2.96 6.55 -0.53 0.11 115.95 125.67 2h4g h TRP 291 Ca -0.04 -0.11 -0.11 0.00 0.95 0.00 0.00 58.89 59.58 2h4g h TRP 291 Cb 1.36 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 29.44 2h4g h TRP 291 CO 0.06 0.73 -0.11 -0.22 -1.05 0.00 0.00 178.44 177.85 2h4g h LYS 292 N 0.63 0.96 0.81 0.49 3.64 -1.40 0.70 116.57 122.40 2h4g h LYS 292 Ca 0.12 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 2h4g h LYS 292 Cb 0.49 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2h4g h LYS 292 CO 0.03 1.03 -0.39 0.93 -2.27 0.00 0.00 179.45 178.78 2h4g h GLU 293 N 0.82 -1.04 -0.80 1.90 4.39 -0.94 -3.03 114.58 115.89 2h4g h GLU 293 Ca 0.13 0.07 0.21 0.00 0.34 0.00 0.00 59.36 60.11 2h4g h GLU 293 Cb 0.67 0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 2h4g h GLU 293 CO 0.05 -0.68 0.56 -0.07 -1.16 0.00 0.00 179.01 177.70 2h4g h LEU 294 N -1.22 0.12 -0.29 1.33 4.07 -0.76 -2.14 115.31 116.41 2h4g h LEU 294 Ca -0.11 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.75 2h4g h LEU 294 Cb 0.84 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 2h4g h LEU 294 CO 0.18 0.05 -0.55 0.77 -1.08 0.00 0.00 178.44 177.81 2h4g h SER 295 N 0.12 0.00 -5.50 -0.43 4.64 -0.76 -3.46 113.55 108.16 2h4g h SER 295 Ca 0.39 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.37 2h4g h SER 295 Cb 1.36 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.60 2h4g h SER 295 CO -0.05 0.55 -0.69 1.41 -0.87 0.00 0.00 176.83 177.18 2h4g n HIS 296 N -3.34 -2.33 0.30 4.77 8.25 -0.81 -4.90 115.22 117.16 2h4g n HIS 296 Ca 0.01 0.92 0.13 0.00 -0.26 0.00 0.00 57.72 58.51 2h4g n HIS 296 Cb 0.70 -4.88 0.58 0.00 1.12 0.00 0.00 29.99 27.52 2h4g n HIS 296 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2h4g h GLU 297 N -2.10 0.00 -0.02 -0.41 4.11 -1.86 -3.41 114.58 110.89 2h4g h GLU 297 Ca -0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2h4g h GLU 297 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2h4g h GLU 297 CO 0.49 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.32