#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jf7 n MET 3 N 0.00 0.00 -0.17 3.49 0.00 -1.26 -3.10 117.12 116.08 1jf7 n MET 3 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.82 1jf7 n MET 3 Cb 0.00 -1.50 0.45 0.00 0.00 0.00 0.00 33.22 32.17 1jf7 n MET 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1jf7 h GLU 4 N 0.00 0.52 0.12 3.17 4.81 -1.97 1.04 114.58 122.27 1jf7 h GLU 4 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1jf7 h GLU 4 Cb 0.50 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1jf7 h GLU 4 CO 0.00 0.34 -0.06 1.57 -0.73 0.00 0.00 179.01 180.14 1jf7 h LYS 5 N 0.53 -0.15 -0.09 1.92 2.10 -1.97 0.20 116.57 119.10 1jf7 h LYS 5 Ca 0.35 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1jf7 h LYS 5 Cb 0.64 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 1jf7 h LYS 5 CO -0.12 -0.00 0.05 0.93 -2.00 0.00 0.00 179.45 178.31 1jf7 h GLU 6 N -0.28 0.10 -0.81 0.07 5.08 -1.02 -1.25 114.58 116.48 1jf7 h GLU 6 Ca -0.02 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.52 1jf7 h GLU 6 Cb 0.22 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.34 1jf7 h GLU 6 CO 0.03 0.07 0.30 0.35 -1.00 0.00 0.00 179.01 178.75 1jf7 h PHE 7 N 0.10 0.49 0.00 4.33 3.57 0.12 0.79 116.94 126.34 1jf7 h PHE 7 Ca 0.03 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1jf7 h PHE 7 Cb -0.00 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1jf7 h PHE 7 CO -0.08 -0.03 -0.19 0.93 -2.23 0.00 0.00 178.31 176.71 1jf7 h GLU 8 N 0.37 0.00 0.09 1.11 5.08 0.50 -0.80 114.58 120.93 1jf7 h GLU 8 Ca 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1jf7 h GLU 8 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1jf7 h GLU 8 CO -0.49 0.19 -0.04 -0.56 -1.00 0.00 0.00 179.01 177.11 1jf7 h GLN 9 N 0.00 -0.12 -0.71 2.33 -0.00 0.15 -0.79 115.11 115.97 1jf7 h GLN 9 Ca -0.00 0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.81 1jf7 h GLN 9 Cb 0.36 0.03 -0.12 0.00 -0.00 0.00 0.00 27.48 27.75 1jf7 h GLN 9 CO 0.02 0.34 0.03 0.82 -0.00 0.00 0.00 178.83 180.04 1jf7 h ILE 10 N -0.94 0.42 -0.50 1.86 2.04 -0.85 0.58 117.51 120.10 1jf7 h ILE 10 Ca -0.01 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1jf7 h ILE 10 Cb 0.51 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1jf7 h ILE 10 CO 0.02 0.02 0.22 0.44 0.00 0.00 0.00 178.15 178.86 1jf7 h ASP 11 N 0.13 0.29 0.36 1.72 5.19 -1.13 -2.31 116.42 120.68 1jf7 h ASP 11 Ca 0.38 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.82 1jf7 h ASP 11 Cb 0.66 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1jf7 h ASP 11 CO -0.60 0.20 -0.19 0.07 -3.12 0.00 0.00 179.24 175.61 1jf7 h LYS 12 N 0.44 -0.49 -0.09 3.56 2.10 0.16 -2.81 116.57 119.44 1jf7 h LYS 12 Ca 0.23 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1jf7 h LYS 12 Cb 0.19 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 1jf7 h LYS 12 CO -0.19 -0.32 0.00 0.43 -2.00 0.00 0.00 179.45 177.36 1jf7 n SER 13 N -5.31 0.09 -3.98 7.07 7.64 -0.08 -4.89 113.62 114.16 1jf7 n SER 13 Ca -0.10 -1.62 -0.32 0.00 1.01 0.00 0.00 58.87 57.84 1jf7 n SER 13 Cb 0.22 -0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 1jf7 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jf7 n GLY 14 N 0.28 -0.48 1.52 0.23 0.00 -0.89 -4.90 105.19 100.95 1jf7 n GLY 14 Ca 0.00 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1jf7 n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jf7 n SER 15 N -2.75 4.62 -0.11 1.61 2.88 -1.07 -4.59 113.62 114.21 1jf7 n SER 15 Ca 0.05 -2.40 -0.10 0.00 -1.33 0.00 0.00 58.87 55.10 1jf7 n SER 15 Cb 0.51 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.39 1jf7 n SER 15 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1jf7 h TRP 16 N 4.01 0.49 -0.63 0.66 4.06 -1.91 -2.82 115.95 119.82 1jf7 h TRP 16 Ca 0.00 -0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.96 1jf7 h TRP 16 Cb 1.39 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 29.35 1jf7 h TRP 16 CO 0.72 0.46 0.37 0.00 -3.56 0.00 0.00 178.44 176.42 1jf7 h ALA 17 N 0.98 0.82 -0.50 1.49 0.00 -1.89 -1.21 119.26 118.96 1jf7 h ALA 17 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jf7 h ALA 17 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jf7 h ALA 17 CO -0.01 0.08 0.27 0.00 0.00 0.00 0.00 179.25 179.59 1jf7 h ALA 18 N 1.30 0.64 -0.24 0.00 0.00 -1.86 0.17 119.26 119.26 1jf7 h ALA 18 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jf7 h ALA 18 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jf7 h ALA 18 CO -0.13 0.17 0.12 0.82 0.00 0.00 0.00 179.25 180.22 1jf7 h ILE 19 N 0.66 1.14 -0.52 0.00 2.04 -1.23 0.39 117.51 119.99 1jf7 h ILE 19 Ca 0.18 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.68 1jf7 h ILE 19 Cb 0.06 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1jf7 h ILE 19 CO -0.03 0.14 0.27 0.22 0.00 0.00 0.00 178.15 178.75 1jf7 h TYR 20 N 0.27 0.50 -0.82 1.37 3.20 -0.81 0.44 116.97 121.12 1jf7 h TYR 20 Ca 0.08 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1jf7 h TYR 20 Cb 0.11 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 1jf7 h TYR 20 CO -0.02 0.25 0.53 1.96 -1.64 0.00 0.00 178.16 179.24 1jf7 h GLN 21 N 0.53 1.08 -0.31 1.82 1.08 -0.21 -0.64 115.11 118.45 1jf7 h GLN 21 Ca 0.22 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.42 1jf7 h GLN 21 Cb 0.11 -0.24 -0.06 0.00 -0.05 0.00 0.00 27.48 27.24 1jf7 h GLN 21 CO -0.14 0.72 -0.08 -0.44 -0.95 0.00 0.00 178.83 177.93 1jf7 h ASP 22 N 1.11 -0.30 -0.36 1.46 3.32 0.14 -0.63 116.42 121.15 1jf7 h ASP 22 Ca 0.30 0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.46 1jf7 h ASP 22 Cb -0.12 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1jf7 h ASP 22 CO -0.06 -0.11 0.22 0.40 -1.72 0.00 0.00 179.24 177.97 1jf7 h ILE 23 N -0.01 1.05 -0.85 0.35 2.04 -0.16 0.81 117.51 120.74 1jf7 h ILE 23 Ca 0.15 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1jf7 h ILE 23 Cb 0.24 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 1jf7 h ILE 23 CO -0.33 0.08 0.48 0.03 0.00 0.00 0.00 178.15 178.42 1jf7 h ARG 24 N 0.44 0.75 -0.19 2.37 3.08 -0.56 -0.59 114.38 119.68 1jf7 h ARG 24 Ca 0.14 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 1jf7 h ARG 24 Cb -0.01 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 29.88 1jf7 h ARG 24 CO -0.06 0.49 -0.71 0.45 -1.07 0.00 0.00 179.97 179.07 1jf7 h HIS 25 N 0.77 1.07 0.00 3.04 3.86 -0.51 -3.22 115.15 120.17 1jf7 h HIS 25 Ca 0.43 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1jf7 h HIS 25 Cb 0.46 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1jf7 h HIS 25 CO -0.06 1.28 0.00 0.93 0.86 0.00 0.00 177.93 180.94 1jf7 h GLU 26 N 0.58 0.00 -6.63 2.45 5.08 -0.61 -3.46 114.58 111.99 1jf7 h GLU 26 Ca -0.03 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.74 1jf7 h GLU 26 Cb 1.34 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.69 1jf7 h GLU 26 CO 0.15 0.00 0.40 0.00 -1.00 0.00 0.00 179.01 178.56 1jf7 n ALA 27 N -2.04 0.74 -1.86 3.43 0.00 -0.25 -4.96 120.51 115.58 1jf7 n ALA 27 Ca 0.04 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 1jf7 n ALA 27 Cb 0.51 -2.18 0.09 0.00 0.00 0.00 0.00 19.45 17.87 1jf7 n ALA 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jf7 s SER 28 N -0.28 4.58 0.01 0.00 1.04 -1.26 -5.05 113.70 112.74 1jf7 s SER 28 Ca 0.59 0.87 -0.00 0.00 0.48 0.00 0.00 55.95 57.88 1jf7 s SER 28 Cb -0.63 -1.42 -0.01 0.00 0.10 0.00 0.00 66.02 64.05 1jf7 s SER 28 CO 0.59 -1.87 -0.02 -0.62 0.98 0.00 0.00 173.24 172.30 1jf7 s ASP 29 N -4.48 0.18 0.16 7.02 2.15 -1.26 -4.90 116.67 115.54 1jf7 s ASP 29 Ca 0.61 -0.37 -0.08 0.00 0.43 0.00 0.00 52.55 53.14 1jf7 s ASP 29 Cb -0.11 0.08 -0.01 0.00 -0.30 0.00 0.00 42.92 42.57 1jf7 s ASP 29 CO 0.50 -0.23 0.27 -0.36 -0.17 0.00 0.00 175.17 175.18 1jf7 s PHE 30 N -1.10 0.43 0.47 -5.34 0.08 -1.26 -5.15 117.98 106.11 1jf7 s PHE 30 Ca -0.12 -0.79 -0.22 0.00 0.12 0.00 0.00 56.93 55.91 1jf7 s PHE 30 Cb -0.08 -0.08 -0.07 0.00 -0.57 0.00 0.00 43.02 42.22 1jf7 s PHE 30 CO -0.01 -0.71 1.16 -2.14 -0.10 0.00 0.00 175.22 173.43 1jf7 s PRO 31 N -3.97 3.69 -0.26 0.24 0.02 -1.26 -4.89 135.00 128.56 1jf7 s PRO 31 Ca 0.18 1.76 0.10 0.00 0.02 0.00 0.00 61.00 63.06 1jf7 s PRO 31 Cb 0.04 -2.35 0.46 0.00 0.02 0.00 0.00 34.50 32.66 1jf7 s PRO 31 CO 0.00 -0.61 1.19 0.00 -0.33 0.00 0.00 177.00 177.25 1jf7 h ARG 33 N 1.92 -0.12 -0.35 0.00 -0.00 -1.92 -1.78 114.38 112.13 1jf7 h ARG 33 Ca 0.21 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.70 1jf7 h ARG 33 Cb 1.40 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.38 1jf7 h ARG 33 CO 0.51 -0.08 0.22 0.28 0.00 0.00 0.00 179.97 180.90 1jf7 h VAL 34 N -0.12 1.10 -0.40 2.04 2.07 -1.93 -2.64 116.25 116.38 1jf7 h VAL 34 Ca 0.25 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1jf7 h VAL 34 Cb 0.52 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1jf7 h VAL 34 CO -0.65 0.10 0.27 0.00 0.02 0.00 0.00 177.57 177.30 1jf7 h ALA 35 N 1.11 1.97 -0.16 1.67 0.00 -1.67 -2.11 119.26 120.07 1jf7 h ALA 35 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jf7 h ALA 35 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jf7 h ALA 35 CO -0.03 -0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.81 1jf7 n LYS 36 N -4.48 1.67 -1.96 0.00 4.76 -0.73 -4.69 118.16 112.73 1jf7 n LYS 36 Ca 0.05 -1.01 -0.41 0.00 -2.87 0.00 0.00 58.31 54.07 1jf7 n LYS 36 Cb 0.24 -1.38 -0.01 0.00 -1.84 0.00 0.00 35.03 32.03 1jf7 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1jf7 s LEU 37 N -1.55 4.37 0.52 -0.35 1.43 -0.80 -4.89 118.68 117.41 1jf7 s LEU 37 Ca 0.32 2.84 0.22 0.00 -1.03 0.00 0.00 54.13 56.48 1jf7 s LEU 37 Cb 0.17 -3.65 1.33 0.00 0.03 0.00 0.00 46.19 44.07 1jf7 s LEU 37 CO 0.26 -0.71 2.03 -0.65 0.23 0.00 0.00 176.35 177.50 1jf7 h PRO 38 N 3.52 0.04 0.00 1.29 0.11 -1.90 0.15 132.00 135.22 1jf7 h PRO 38 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jf7 h PRO 38 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jf7 h PRO 38 CO 0.67 0.03 0.00 0.36 -0.21 0.00 0.00 178.00 178.85 1jf7 n LYS 39 N -4.43 0.07 -0.14 1.05 2.85 -1.26 -2.68 118.16 113.62 1jf7 n LYS 39 Ca 0.07 0.21 0.11 0.00 -1.05 0.00 0.00 58.31 57.64 1jf7 n LYS 39 Cb 0.47 -1.61 0.18 0.00 -0.65 0.00 0.00 35.03 33.41 1jf7 n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jf7 n ASN 40 N -1.74 3.19 -0.06 -5.58 5.03 0.52 -4.67 115.26 111.94 1jf7 n ASN 40 Ca 0.05 -1.93 -0.08 0.00 0.87 0.00 0.00 54.58 53.49 1jf7 n ASN 40 Cb 0.27 -0.19 -0.01 0.00 -1.02 0.00 0.00 39.78 38.82 1jf7 n ASN 40 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1jf7 h LYS 41 N 4.00 -0.19 -0.00 3.52 3.11 -1.49 -1.31 116.57 124.21 1jf7 h LYS 41 Ca 0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1jf7 h LYS 41 Cb 0.90 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1jf7 h LYS 41 CO 0.00 -0.13 0.00 0.27 -2.81 0.00 0.00 179.45 176.78 1jf7 n ASN 42 N -5.36 0.01 -0.60 4.20 6.94 -1.26 -2.50 115.26 116.69 1jf7 n ASN 42 Ca -0.00 -1.91 0.08 0.00 -0.02 0.00 0.00 54.58 52.74 1jf7 n ASN 42 Cb 0.28 -0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.75 1jf7 n ASN 42 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1jf7 n ARG 43 N -0.54 1.48 -3.80 -3.83 1.74 -0.50 -4.90 116.66 106.31 1jf7 n ARG 43 Ca 0.02 -1.32 -0.36 0.00 -0.77 0.00 0.00 57.85 55.42 1jf7 n ARG 43 Cb 0.01 -1.32 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 1jf7 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1jf7 s ASN 44 N -1.59 5.40 0.12 0.55 -0.87 -1.04 -4.38 114.94 113.13 1jf7 s ASN 44 Ca 0.18 -0.10 -0.11 0.00 -1.57 0.00 0.00 52.86 51.25 1jf7 s ASN 44 Cb 0.14 -1.97 -0.10 0.00 -0.02 0.00 0.00 41.25 39.31 1jf7 s ASN 44 CO 0.27 0.02 1.38 -0.09 -2.57 0.00 0.00 177.10 176.11 1jf7 h ARG 45 N 7.87 0.84 -5.30 -0.60 2.43 -1.91 -3.45 114.38 114.27 1jf7 h ARG 45 Ca -0.37 -0.58 -0.46 0.00 -0.81 0.00 0.00 59.98 57.76 1jf7 h ARG 45 Cb 1.18 0.09 -0.27 0.00 -0.42 0.00 0.00 29.97 30.55 1jf7 h ARG 45 CO 0.60 1.21 -0.80 0.71 -1.51 0.00 0.00 179.97 180.18 1jf7 s TYR 46 N -4.01 1.23 -0.46 2.20 2.02 -1.26 -5.03 117.35 112.04 1jf7 s TYR 46 Ca -0.10 -0.30 0.25 0.00 -0.37 0.00 0.00 57.07 56.55 1jf7 s TYR 46 Cb 0.10 -0.76 0.66 0.00 -0.40 0.00 0.00 41.96 41.56 1jf7 s TYR 46 CO 0.89 0.01 1.72 0.07 -1.57 0.00 0.00 175.55 176.67 1jf7 h ARG 47 N 5.30 0.00 -0.54 -0.62 0.11 -1.98 -3.02 114.38 113.63 1jf7 h ARG 47 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1jf7 h ARG 47 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1jf7 h ARG 47 CO 0.46 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.13 1jf7 n ASP 48 N -2.79 3.66 -4.10 0.08 5.75 -1.26 -4.81 116.55 113.08 1jf7 n ASP 48 Ca 0.04 -1.99 -0.33 0.00 -0.01 0.00 0.00 54.79 52.50 1jf7 n ASP 48 Cb 0.45 -0.36 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 1jf7 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jf7 s VAL 49 N -1.23 2.60 0.05 2.12 1.01 -1.14 -5.08 120.40 118.73 1jf7 s VAL 49 Ca 0.42 -1.78 0.06 0.00 0.00 0.00 0.00 61.98 60.68 1jf7 s VAL 49 Cb 0.23 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1jf7 s VAL 49 CO 0.31 -0.28 -0.16 -0.44 0.00 0.00 0.00 175.10 174.54 1jf7 s SER 50 N 1.20 1.91 0.16 3.32 0.01 -1.26 -4.75 113.70 114.29 1jf7 s SER 50 Ca -0.01 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.44 1jf7 s SER 50 Cb -0.20 -0.12 -0.08 0.00 0.21 0.00 0.00 66.02 65.83 1jf7 s SER 50 CO -0.04 0.05 1.18 -2.16 0.41 0.00 0.00 173.24 172.68 1jf7 s PRO 51 N -1.29 4.50 0.53 12.44 0.04 -1.26 -4.58 135.00 145.38 1jf7 s PRO 51 Ca 0.03 1.83 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 1jf7 s PRO 51 Cb -0.08 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 1jf7 s PRO 51 CO 0.02 -0.09 1.36 -0.06 0.04 0.00 0.00 177.00 178.27 1jf7 s PHE 52 N 0.11 2.33 0.37 0.56 0.08 -1.26 -4.67 117.98 115.49 1jf7 s PHE 52 Ca 0.53 1.36 0.06 0.00 0.12 0.00 0.00 56.93 59.00 1jf7 s PHE 52 Cb -0.32 -3.81 0.76 0.00 -0.57 0.00 0.00 43.02 39.08 1jf7 s PHE 52 CO 0.35 -2.86 1.97 -0.44 -0.10 0.00 0.00 175.22 174.14 1jf7 h ASP 53 N 1.63 0.64 0.67 1.36 3.32 -1.40 -1.97 116.42 120.67 1jf7 h ASP 53 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1jf7 h ASP 53 Cb 1.29 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1jf7 h ASP 53 CO 0.58 0.42 0.00 0.00 -1.72 0.00 0.00 179.24 178.52 1jf7 n HIS 54 N -4.48 0.24 -0.24 4.55 1.44 -1.26 -3.66 115.22 111.82 1jf7 n HIS 54 Ca 0.10 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1jf7 n HIS 54 Cb 0.22 -0.65 0.00 0.00 0.12 0.00 0.00 29.99 29.68 1jf7 n HIS 54 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1jf7 n SER 55 N -1.72 0.33 -4.41 4.39 3.41 -1.09 -5.06 113.62 109.48 1jf7 n SER 55 Ca 0.04 -0.70 -0.40 0.00 -0.26 0.00 0.00 58.87 57.55 1jf7 n SER 55 Cb 0.22 0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1jf7 n SER 55 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1jf7 n ARG 56 N -0.25 0.39 -3.52 4.33 0.63 -0.76 -0.82 116.66 116.67 1jf7 n ARG 56 Ca 0.00 0.15 -0.38 0.00 -0.92 0.00 0.00 57.85 56.70 1jf7 n ARG 56 Cb 0.06 -1.43 -0.09 0.00 0.45 0.00 0.00 32.46 31.45 1jf7 n ARG 56 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1jf7 s ILE 57 N -1.67 5.27 0.04 5.15 -1.09 -0.79 -4.71 121.20 123.40 1jf7 s ILE 57 Ca 0.64 0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 59.16 1jf7 s ILE 57 Cb -0.53 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1jf7 s ILE 57 CO 0.59 0.27 1.01 -0.54 -1.23 0.00 0.00 174.94 175.04 1jf7 s LYS 58 N 1.43 4.57 0.54 2.79 -0.14 -1.26 -4.20 119.74 123.47 1jf7 s LYS 58 Ca 0.12 1.49 -0.18 0.00 -1.36 0.00 0.00 55.97 56.05 1jf7 s LYS 58 Cb -0.15 -3.42 -0.06 0.00 -1.68 0.00 0.00 37.83 32.53 1jf7 s LYS 58 CO 0.07 -0.02 1.05 -1.17 -0.76 0.00 0.00 175.35 174.52 1jf7 s LEU 59 N 0.74 3.65 -1.42 3.17 2.96 0.93 -4.88 118.68 123.82 1jf7 s LEU 59 Ca 0.52 1.85 -0.08 0.00 -0.22 0.00 0.00 54.13 56.20 1jf7 s LEU 59 Cb -0.23 -4.54 0.06 0.00 0.50 0.00 0.00 46.19 41.97 1jf7 s LEU 59 CO 0.29 -0.97 2.52 1.41 -1.32 0.00 0.00 176.35 178.28 1jf7 n HIS 60 N -1.55 2.61 -4.54 5.38 8.25 -1.26 -4.61 115.22 119.49 1jf7 n HIS 60 Ca 0.09 -2.91 -0.21 0.00 -0.26 0.00 0.00 57.72 54.42 1jf7 n HIS 60 Cb 0.53 -2.08 -0.15 0.00 1.12 0.00 0.00 29.99 29.41 1jf7 n HIS 60 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1jf7 s GLN 61 N 0.19 1.03 0.14 -0.41 -0.21 -1.26 -5.06 119.66 114.08 1jf7 s GLN 61 Ca 0.58 -0.42 -0.05 0.00 0.02 0.00 0.00 55.36 55.48 1jf7 s GLN 61 Cb 0.17 -0.98 -0.04 0.00 1.00 0.00 0.00 33.01 33.16 1jf7 s GLN 61 CO -0.08 0.24 1.36 0.93 -2.12 0.00 0.00 175.29 175.63 1jf7 h GLU 62 N 5.95 0.52 0.00 2.91 4.39 -2.01 -3.34 114.58 123.00 1jf7 h GLU 62 Ca -0.33 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 58.92 1jf7 h GLU 62 Cb 1.17 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1jf7 h GLU 62 CO 0.49 1.09 0.00 -0.40 -1.16 0.00 0.00 179.01 179.03 1jf7 n ASP 63 N -3.84 0.00 -3.94 1.42 5.75 -1.26 -4.74 116.55 109.94 1jf7 n ASP 63 Ca -0.06 0.60 -0.30 0.00 -0.01 0.00 0.00 54.79 55.02 1jf7 n ASP 63 Cb 0.75 -0.32 -0.16 0.00 -1.03 0.00 0.00 41.12 40.37 1jf7 n ASP 63 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1jf7 s ASN 64 N -2.13 3.89 -0.01 -1.12 3.04 -1.26 -4.98 114.94 112.38 1jf7 s ASN 64 Ca 0.00 -1.22 0.09 0.00 0.04 0.00 0.00 52.86 51.76 1jf7 s ASN 64 Cb 0.00 -1.19 0.27 0.00 -1.54 0.00 0.00 41.25 38.79 1jf7 s ASN 64 CO 0.00 -0.25 1.21 -0.90 -3.04 0.00 0.00 177.10 174.12 1jf7 n ASP 65 N 4.66 1.68 -4.74 -4.21 3.85 -1.25 -4.67 116.55 111.88 1jf7 n ASP 65 Ca -0.11 -2.02 -0.39 0.00 -0.71 0.00 0.00 54.79 51.56 1jf7 n ASP 65 Cb 0.44 -0.22 -0.05 0.00 -1.35 0.00 0.00 41.12 39.93 1jf7 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1jf7 s TYR 66 N -1.61 3.61 -0.06 2.11 5.04 -1.26 0.31 117.35 125.50 1jf7 s TYR 66 Ca 0.20 1.17 -0.05 0.00 -2.44 0.00 0.00 57.07 55.95 1jf7 s TYR 66 Cb 0.11 -2.68 0.02 0.00 0.35 0.00 0.00 41.96 39.76 1jf7 s TYR 66 CO 0.13 0.21 0.15 -1.50 -1.34 0.00 0.00 175.55 173.20 1jf7 s ILE 67 N 0.35 -0.01 -0.83 3.14 1.10 -1.26 -4.86 121.20 118.83 1jf7 s ILE 67 Ca 0.33 0.03 -0.25 0.00 -0.51 0.00 0.00 60.65 60.25 1jf7 s ILE 67 Cb -0.17 -0.22 -0.01 0.00 0.15 0.00 0.00 42.46 42.21 1jf7 s ILE 67 CO 0.16 0.01 1.73 0.21 -2.11 0.00 0.00 174.94 174.95 1jf7 s ASN 68 N 0.27 5.60 -0.12 4.50 3.84 -1.26 -4.62 114.94 123.14 1jf7 s ASN 68 Ca -0.02 -0.55 -0.30 0.00 0.21 0.00 0.00 52.86 52.21 1jf7 s ASN 68 Cb -0.03 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.20 1jf7 s ASN 68 CO -0.01 -2.27 0.76 0.00 -2.79 0.00 0.00 177.10 172.79 1jf7 s ALA 69 N 8.18 -1.81 0.00 1.71 0.00 -1.26 -3.24 121.76 125.33 1jf7 s ALA 69 Ca 0.60 1.51 0.01 0.00 0.00 0.00 0.00 51.96 54.08 1jf7 s ALA 69 Cb -0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1jf7 s ALA 69 CO 0.05 -0.35 -0.05 -1.12 0.00 0.00 0.00 175.76 174.29 1jf7 s SER 70 N -0.85 0.58 -0.25 0.00 0.01 0.16 -1.89 113.70 111.46 1jf7 s SER 70 Ca -0.07 -0.13 -0.25 0.00 1.31 0.00 0.00 55.95 56.81 1jf7 s SER 70 Cb -0.01 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 1jf7 s SER 70 CO 0.06 0.03 0.84 -0.22 0.41 0.00 0.00 173.24 174.36 1jf7 s LEU 71 N -0.27 4.08 -0.26 2.44 2.96 -0.00 -1.04 118.68 126.59 1jf7 s LEU 71 Ca 0.00 1.02 -0.08 0.00 -0.22 0.00 0.00 54.13 54.86 1jf7 s LEU 71 Cb -0.03 -3.20 -0.02 0.00 0.50 0.00 0.00 46.19 43.44 1jf7 s LEU 71 CO -0.00 -0.54 0.08 -0.63 -1.32 0.00 0.00 176.35 173.94 1jf7 s ILE 72 N 2.89 4.32 -0.23 6.68 1.09 0.13 -4.87 121.20 131.22 1jf7 s ILE 72 Ca 0.35 -0.25 0.01 0.00 -1.10 0.00 0.00 60.65 59.66 1jf7 s ILE 72 Cb -0.15 -3.06 0.03 0.00 -1.06 0.00 0.00 42.46 38.22 1jf7 s ILE 72 CO 0.08 0.28 -0.13 -0.75 -0.10 0.00 0.00 174.94 174.32 1jf7 s LYS 73 N 1.60 2.71 -0.56 2.79 2.20 -1.26 -1.77 119.74 125.44 1jf7 s LYS 73 Ca 0.06 -1.04 -0.09 0.00 -0.36 0.00 0.00 55.97 54.53 1jf7 s LYS 73 Cb -0.16 -2.81 0.14 0.00 -1.51 0.00 0.00 37.83 33.50 1jf7 s LYS 73 CO 0.04 -0.38 0.44 -1.64 -0.36 0.00 0.00 175.35 173.44 1jf7 s MET 74 N 1.24 2.70 0.06 4.03 -1.94 -0.23 -4.98 119.30 120.18 1jf7 s MET 74 Ca -0.01 -2.01 -0.34 0.00 -1.71 0.00 0.00 55.69 51.63 1jf7 s MET 74 Cb -0.16 -4.00 -0.18 0.00 2.01 0.00 0.00 34.83 32.50 1jf7 s MET 74 CO -0.08 -1.22 1.51 0.93 -0.01 0.00 0.00 175.02 176.16 1jf7 h GLU 75 N 8.13 -1.11 -0.47 2.03 5.08 -1.96 0.50 114.58 126.78 1jf7 h GLU 75 Ca -0.13 0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1jf7 h GLU 75 Cb 1.05 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1jf7 h GLU 75 CO 0.83 -0.74 0.21 1.49 -1.00 0.00 0.00 179.01 179.80 1jf7 h GLU 76 N -1.15 0.41 0.00 2.33 4.57 -1.97 0.13 114.58 118.89 1jf7 h GLU 76 Ca -0.11 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1jf7 h GLU 76 Cb 0.91 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1jf7 h GLU 76 CO 0.13 0.27 -0.18 0.00 -1.18 0.00 0.00 179.01 178.05 1jf7 h ALA 77 N 1.27 1.13 -5.16 2.92 0.00 -1.90 -3.47 119.26 114.05 1jf7 h ALA 77 Ca 0.21 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.65 1jf7 h ALA 77 Cb 0.15 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.05 1jf7 h ALA 77 CO -0.17 0.23 -0.64 1.04 0.00 0.00 0.00 179.25 179.71 1jf7 n GLN 78 N -3.49 -6.10 -3.87 0.00 1.13 0.16 -4.88 117.38 100.33 1jf7 n GLN 78 Ca -0.01 0.73 -0.12 0.00 -1.94 0.00 0.00 57.00 55.66 1jf7 n GLN 78 Cb 0.35 -5.41 -0.13 0.00 0.11 0.00 0.00 30.24 25.16 1jf7 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1jf7 s ARG 79 N -5.48 0.16 0.08 -1.09 6.06 -0.57 -5.02 118.95 113.09 1jf7 s ARG 79 Ca 0.16 -0.05 0.06 0.00 -2.50 0.00 0.00 55.73 53.41 1jf7 s ARG 79 Cb -0.07 0.07 -0.03 0.00 0.06 0.00 0.00 34.95 34.97 1jf7 s ARG 79 CO 0.63 -0.03 -0.17 -1.12 -2.50 0.00 0.00 175.30 172.11 1jf7 s SER 80 N -0.32 2.03 0.01 -2.12 0.01 -1.26 -1.07 113.70 110.98 1jf7 s SER 80 Ca -0.04 -0.64 -0.07 0.00 1.31 0.00 0.00 55.95 56.52 1jf7 s SER 80 Cb -0.03 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 1jf7 s SER 80 CO 0.00 -0.01 0.12 -0.31 0.41 0.00 0.00 173.24 173.45 1jf7 s TYR 81 N -1.20 0.08 -0.28 2.43 1.51 -0.73 -4.13 117.35 115.03 1jf7 s TYR 81 Ca 0.02 -0.22 -0.09 0.00 -1.01 0.00 0.00 57.07 55.77 1jf7 s TYR 81 Cb -0.10 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.65 1jf7 s TYR 81 CO 0.03 -0.29 0.13 0.42 -1.11 0.00 0.00 175.55 174.73 1jf7 s ILE 82 N -1.57 4.69 -0.17 2.71 1.01 -0.44 -0.69 121.20 126.73 1jf7 s ILE 82 Ca -0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 1jf7 s ILE 82 Cb -0.07 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1jf7 s ILE 82 CO 0.01 0.22 0.08 -0.76 0.00 0.00 0.00 174.94 174.49 1jf7 s LEU 83 N 1.66 3.97 0.12 2.97 1.43 -0.21 -0.51 118.68 128.11 1jf7 s LEU 83 Ca 0.06 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1jf7 s LEU 83 Cb -0.16 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1jf7 s LEU 83 CO 0.07 0.23 0.13 0.28 0.23 0.00 0.00 176.35 177.28 1jf7 s THR 84 N 0.07 0.12 0.65 5.49 -1.32 -0.77 0.37 115.64 120.26 1jf7 s THR 84 Ca 0.07 -1.62 -0.11 0.00 -1.21 0.00 0.00 61.69 58.82 1jf7 s THR 84 Cb -0.12 -1.78 -0.01 0.00 -1.51 0.00 0.00 72.50 69.08 1jf7 s THR 84 CO 0.00 -0.54 1.05 0.00 -2.21 0.00 0.00 174.62 172.92 1jf7 s GLN 85 N -3.97 3.22 0.10 7.08 -2.07 -1.20 -3.78 119.66 119.04 1jf7 s GLN 85 Ca 0.16 0.56 -0.31 0.00 -1.82 0.00 0.00 55.36 53.95 1jf7 s GLN 85 Cb 0.06 -2.07 -0.09 0.00 -1.09 0.00 0.00 33.01 29.81 1jf7 s GLN 85 CO -0.03 -0.78 1.76 0.20 -1.32 0.00 0.00 175.29 175.12 1jf7 s GLY 86 N -4.27 1.44 0.42 2.60 0.00 0.80 -4.86 107.32 103.45 1jf7 s GLY 86 Ca 0.56 1.34 -0.25 0.00 0.00 0.00 0.00 44.72 46.37 1jf7 s GLY 86 CO 0.52 3.04 1.17 -1.05 0.00 0.00 0.00 173.10 176.79 1jf7 n PRO 87 N 5.72 1.70 -2.66 2.90 -0.02 -1.26 -4.76 135.00 136.62 1jf7 n PRO 87 Ca 0.17 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 62.05 1jf7 n PRO 87 Cb 0.39 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1jf7 n PRO 87 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jf7 s LEU 88 N -1.28 3.30 0.50 2.45 1.43 -1.26 -1.66 118.68 122.15 1jf7 s LEU 88 Ca 0.62 -0.02 0.23 0.00 -1.03 0.00 0.00 54.13 53.93 1jf7 s LEU 88 Cb -0.53 -2.87 1.33 0.00 0.03 0.00 0.00 46.19 44.15 1jf7 s LEU 88 CO 0.57 -1.12 2.06 -0.65 0.23 0.00 0.00 176.35 177.44 1jf7 h PRO 89 N 0.10 0.00 -0.01 1.29 0.11 -1.95 0.33 132.00 131.87 1jf7 h PRO 89 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1jf7 h PRO 89 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jf7 h PRO 89 CO 0.52 0.13 -0.26 0.27 -0.21 0.00 0.00 178.00 178.45 1jf7 n ASN 90 N -3.88 1.58 -0.44 -2.05 6.94 -1.26 -4.22 115.26 111.93 1jf7 n ASN 90 Ca -0.02 -1.27 0.05 0.00 -0.02 0.00 0.00 54.58 53.31 1jf7 n ASN 90 Cb 0.23 0.21 0.07 0.00 -2.36 0.00 0.00 39.78 37.93 1jf7 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1jf7 n THR 91 N -0.15 0.38 -0.27 5.53 -2.24 0.11 -4.64 114.28 113.00 1jf7 n THR 91 Ca 0.12 -0.69 -0.05 0.00 -2.27 0.00 0.00 64.05 61.17 1jf7 n THR 91 Cb 0.41 0.93 0.06 0.00 -2.10 0.00 0.00 70.33 69.63 1jf7 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jf7 h GLY 93 N 1.01 0.12 1.00 0.00 0.00 -1.88 -2.18 103.07 101.15 1jf7 h GLY 93 Ca 0.27 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 1jf7 h GLY 93 CO -0.05 -0.09 0.09 0.45 0.00 0.00 0.00 176.54 176.94 1jf7 h HIS 94 N -0.02 0.94 -0.13 5.60 3.86 -1.60 0.20 115.15 124.00 1jf7 h HIS 94 Ca 0.10 -0.13 0.05 0.00 -1.16 0.00 0.00 60.37 59.23 1jf7 h HIS 94 Cb 0.17 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.33 1jf7 h HIS 94 CO -0.23 0.84 -0.21 0.35 0.86 0.00 0.00 177.93 179.54 1jf7 h PHE 95 N 0.78 -0.56 0.00 2.45 3.04 -0.21 0.82 116.94 123.25 1jf7 h PHE 95 Ca 0.16 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.09 1jf7 h PHE 95 Cb 0.40 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 1jf7 h PHE 95 CO 0.03 -0.29 -0.27 -1.49 -2.02 0.00 0.00 178.31 174.27 1jf7 h TRP 96 N -0.27 0.00 -0.55 0.41 4.06 -1.31 -1.58 115.95 116.72 1jf7 h TRP 96 Ca 0.10 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.97 1jf7 h TRP 96 Cb 0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 1jf7 h TRP 96 CO -0.32 0.27 0.02 1.49 -3.56 0.00 0.00 178.44 176.34 1jf7 h GLU 97 N 0.00 0.95 -0.32 0.49 4.81 0.14 -1.23 114.58 119.42 1jf7 h GLU 97 Ca -0.00 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1jf7 h GLU 97 Cb 0.60 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1jf7 h GLU 97 CO 0.03 0.95 0.17 1.98 -0.73 0.00 0.00 179.01 181.42 1jf7 h MET 98 N 0.83 0.45 -0.82 1.92 4.05 0.14 -2.44 114.93 119.06 1jf7 h MET 98 Ca 0.16 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1jf7 h MET 98 Cb 0.51 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.18 1jf7 h MET 98 CO 0.02 0.39 0.54 0.28 0.23 0.00 0.00 176.91 178.37 1jf7 h VAL 99 N 0.40 1.16 0.19 -5.77 2.07 -0.99 -1.03 116.25 112.27 1jf7 h VAL 99 Ca 0.11 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1jf7 h VAL 99 Cb 0.07 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1jf7 h VAL 99 CO -0.02 0.19 -0.09 -0.25 0.02 0.00 0.00 177.57 177.42 1jf7 h TRP 100 N 1.05 -0.24 0.00 1.57 2.91 -1.08 -2.33 115.95 117.82 1jf7 h TRP 100 Ca 0.32 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.27 1jf7 h TRP 100 Cb -0.01 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1jf7 h TRP 100 CO -0.00 0.12 -0.32 1.05 -1.03 0.00 0.00 178.44 178.26 1jf7 h GLU 101 N -0.66 0.00 -0.00 2.65 4.11 -1.34 -1.84 114.58 117.49 1jf7 h GLU 101 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1jf7 h GLU 101 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1jf7 h GLU 101 CO 0.04 0.32 -0.23 1.04 0.07 0.00 0.00 179.01 180.26 1jf7 n GLN 102 N -3.39 0.41 -1.80 1.06 1.13 -0.40 -4.96 117.38 109.42 1jf7 n GLN 102 Ca 0.00 -0.18 -0.15 0.00 -1.94 0.00 0.00 57.00 54.74 1jf7 n GLN 102 Cb 0.52 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.33 1jf7 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1jf7 n LYS 103 N -1.14 -1.11 -1.76 -1.09 5.02 -0.69 -3.80 118.16 113.59 1jf7 n LYS 103 Ca 0.10 0.90 -0.41 0.00 -2.02 0.00 0.00 58.31 56.88 1jf7 n LYS 103 Cb 0.32 -5.12 -0.01 0.00 -0.02 0.00 0.00 35.03 30.20 1jf7 n LYS 103 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jf7 n SER 104 N -0.61 3.88 -0.05 4.39 7.64 -0.98 -2.13 113.62 125.76 1jf7 n SER 104 Ca -0.16 1.18 -0.09 0.00 1.01 0.00 0.00 58.87 60.81 1jf7 n SER 104 Cb 0.55 -1.61 -0.15 0.00 -1.01 0.00 0.00 64.21 62.00 1jf7 n SER 104 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1jf7 n ARG 105 N 1.49 0.65 -4.27 1.43 3.00 -1.26 -4.89 116.66 112.80 1jf7 n ARG 105 Ca 0.06 0.19 -0.22 0.00 -0.00 0.00 0.00 57.85 57.88 1jf7 n ARG 105 Cb 0.38 -1.70 -0.12 0.00 0.00 0.00 0.00 32.46 31.02 1jf7 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1jf7 s GLY 106 N -5.23 1.19 -0.09 5.14 0.00 -1.26 -1.31 107.32 105.76 1jf7 s GLY 106 Ca -0.06 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.41 1jf7 s GLY 106 CO 0.83 -1.28 -0.11 0.14 0.00 0.00 0.00 173.10 172.68 1jf7 s VAL 107 N -1.46 1.11 -0.27 1.40 1.01 0.98 -2.06 120.40 121.11 1jf7 s VAL 107 Ca 0.07 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1jf7 s VAL 107 Cb -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1jf7 s VAL 107 CO 0.04 0.36 0.02 -0.69 0.00 0.00 0.00 175.10 174.83 1jf7 s VAL 108 N 1.07 3.57 -0.19 2.92 1.01 0.13 -1.31 120.40 127.61 1jf7 s VAL 108 Ca -0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1jf7 s VAL 108 Cb -0.14 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 1jf7 s VAL 108 CO -0.01 0.19 -0.06 -0.32 0.00 0.00 0.00 175.10 174.90 1jf7 s MET 109 N 1.45 3.41 0.00 2.72 0.00 -0.19 -0.40 119.30 126.29 1jf7 s MET 109 Ca 0.03 -0.63 0.09 0.00 0.00 0.00 0.00 55.69 55.18 1jf7 s MET 109 Cb -0.16 -2.92 0.19 0.00 0.00 0.00 0.00 34.83 31.94 1jf7 s MET 109 CO -0.00 -0.06 1.06 1.28 0.00 0.00 0.00 175.02 177.30 1jf7 n LEU 110 N 4.39 2.43 -4.40 4.11 4.32 -0.55 -0.24 117.00 127.06 1jf7 n LEU 110 Ca -0.18 -1.63 -0.20 0.00 -0.02 0.00 0.00 56.01 53.98 1jf7 n LEU 110 Cb 0.51 -0.13 -0.10 0.00 -1.62 0.00 0.00 43.42 42.08 1jf7 n LEU 110 CO 0.30 0.57 -0.28 0.54 -1.22 0.00 0.00 177.39 177.30 1jf7 s ASN 111 N -0.93 2.04 0.21 -1.43 2.20 -1.25 -4.55 114.94 111.23 1jf7 s ASN 111 Ca 0.17 -1.35 0.06 0.00 -0.94 0.00 0.00 52.86 50.80 1jf7 s ASN 111 Cb 0.09 -0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.29 1jf7 s ASN 111 CO 0.13 -0.61 0.19 -0.13 -2.94 0.00 0.00 177.10 173.74 1jf7 s ARG 112 N -3.91 3.00 0.26 3.55 0.52 -1.26 -4.83 118.95 116.28 1jf7 s ARG 112 Ca 0.35 -0.92 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 1jf7 s ARG 112 Cb 0.08 -2.66 0.35 0.00 0.52 0.00 0.00 34.95 33.25 1jf7 s ARG 112 CO 0.14 0.45 1.70 0.28 0.02 0.00 0.00 175.30 177.89 1jf7 h VAL 113 N 1.70 1.27 -3.79 3.52 2.07 -1.94 -3.40 116.25 115.67 1jf7 h VAL 113 Ca -0.48 -1.27 -0.66 0.00 0.82 0.00 0.00 66.70 65.11 1jf7 h VAL 113 Cb 1.22 1.29 -0.32 0.00 -1.52 0.00 0.00 31.29 31.96 1jf7 h VAL 113 CO 0.62 0.41 -0.87 -0.04 0.02 0.00 0.00 177.57 177.71 1jf7 s MET 114 N -4.55 2.50 -0.04 1.57 1.00 -1.26 -0.62 119.30 117.90 1jf7 s MET 114 Ca -0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 55.69 54.79 1jf7 s MET 114 Cb 0.14 -2.05 0.03 0.00 0.00 0.00 0.00 34.83 32.95 1jf7 s MET 114 CO 0.80 0.29 0.02 -1.21 0.00 0.00 0.00 175.02 174.92 1jf7 s GLU 115 N 0.05 0.18 -1.81 2.03 2.02 -0.58 -4.82 118.70 115.77 1jf7 s GLU 115 Ca -0.08 0.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.91 1jf7 s GLU 115 Cb -0.15 -0.54 0.19 0.00 0.10 0.00 0.00 34.13 33.74 1jf7 s GLU 115 CO 0.05 -0.23 0.47 1.63 0.02 0.00 0.00 175.26 177.20 1jf7 n LYS 116 N 4.68 -0.76 -0.68 1.61 4.76 -1.26 -0.91 118.16 125.59 1jf7 n LYS 116 Ca -0.16 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1jf7 n LYS 116 Cb 0.50 -4.47 0.00 0.00 -1.84 0.00 0.00 35.03 29.22 1jf7 n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jf7 n GLY 117 N -1.38 0.83 3.47 0.72 0.00 -1.26 -5.04 105.19 102.52 1jf7 n GLY 117 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1jf7 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jf7 s SER 118 N -2.92 3.98 -0.02 1.61 0.01 -0.09 -5.09 113.70 111.19 1jf7 s SER 118 Ca 0.00 -0.23 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 1jf7 s SER 118 Cb 0.00 -0.81 -0.05 0.00 0.21 0.00 0.00 66.02 65.37 1jf7 s SER 118 CO 0.00 0.33 1.38 -0.22 0.41 0.00 0.00 173.24 175.14 1jf7 s LEU 119 N -0.81 4.31 0.00 2.44 2.96 -1.26 -1.52 118.68 124.79 1jf7 s LEU 119 Ca 0.12 2.06 0.06 0.00 -0.22 0.00 0.00 54.13 56.15 1jf7 s LEU 119 Cb -0.11 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.96 1jf7 s LEU 119 CO 0.01 -0.71 0.29 0.29 -1.32 0.00 0.00 176.35 174.91 1jf7 n LYS 120 N 5.45 4.75 -3.64 1.98 4.76 0.21 -4.97 118.16 126.69 1jf7 n LYS 120 Ca 0.13 -0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.51 1jf7 n LYS 120 Cb 0.44 -0.81 -0.06 0.00 -1.84 0.00 0.00 35.03 32.75 1jf7 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jf7 s ALA 122 N -0.25 2.78 -1.08 0.00 0.00 -0.67 -4.67 121.76 117.86 1jf7 s ALA 122 Ca 0.06 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.94 1jf7 s ALA 122 Cb -0.04 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.95 1jf7 s ALA 122 CO -0.11 -1.00 1.60 -1.14 0.00 0.00 0.00 175.76 175.11 1jf7 s GLN 123 N -4.79 3.52 0.00 0.00 2.00 -1.26 -4.84 119.66 114.29 1jf7 s GLN 123 Ca 0.59 -1.25 0.15 0.00 -2.00 0.00 0.00 55.36 52.85 1jf7 s GLN 123 Cb -0.14 -5.37 0.44 0.00 0.80 0.00 0.00 33.01 28.74 1jf7 s GLN 123 CO 0.49 -2.44 1.35 2.48 -0.50 0.00 0.00 175.29 176.68 1jf7 n TYR 124 N 9.61 0.51 -4.00 1.67 4.11 -1.26 -4.86 117.16 122.94 1jf7 n TYR 124 Ca 0.38 -0.26 -0.09 0.00 -0.00 0.00 0.00 57.90 57.94 1jf7 n TYR 124 Cb 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.73 1jf7 n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1jf7 s TRP 125 N -1.49 0.32 0.51 -3.48 -2.14 -1.26 -5.04 118.94 106.36 1jf7 s TRP 125 Ca 0.29 -0.68 -0.20 0.00 2.66 0.00 0.00 56.10 58.18 1jf7 s TRP 125 Cb 0.16 -0.24 -0.07 0.00 -3.10 0.00 0.00 33.47 30.22 1jf7 s TRP 125 CO 0.21 -0.29 1.11 -2.14 -2.66 0.00 0.00 176.95 173.18 1jf7 s PRO 126 N -2.45 3.56 -0.05 3.25 0.02 -1.26 -5.00 135.00 133.07 1jf7 s PRO 126 Ca -0.07 1.56 0.19 0.00 0.02 0.00 0.00 61.00 62.71 1jf7 s PRO 126 Cb -0.03 -2.10 -0.23 0.00 0.02 0.00 0.00 34.50 32.16 1jf7 s PRO 126 CO -0.04 -0.67 0.47 1.04 -0.33 0.00 0.00 177.00 177.46 1jf7 n GLN 127 N -1.06 0.66 -3.97 5.54 6.02 -1.26 -4.80 117.38 118.50 1jf7 n GLN 127 Ca 0.10 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.77 1jf7 n GLN 127 Cb 0.51 -1.62 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 1jf7 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1jf7 s LYS 128 N -2.97 3.31 0.03 -1.09 1.02 -1.26 -4.94 119.74 113.84 1jf7 s LYS 128 Ca -0.07 -0.35 -0.05 0.00 0.02 0.00 0.00 55.97 55.51 1jf7 s LYS 128 Cb 0.09 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1jf7 s LYS 128 CO 0.85 0.68 0.57 -1.91 -0.92 0.00 0.00 175.35 174.61 1jf7 n GLU 129 N 1.16 -0.08 -0.00 1.68 4.07 -1.26 0.22 120.64 126.43 1jf7 n GLU 129 Ca -0.13 0.56 0.15 0.00 -0.06 0.00 0.00 57.16 57.69 1jf7 n GLU 129 Cb 0.53 -0.83 0.82 0.00 -0.06 0.00 0.00 31.44 31.90 1jf7 n GLU 129 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1jf7 n GLU 130 N -3.27 1.20 -1.73 5.31 -0.00 -1.26 -4.02 120.64 116.87 1jf7 n GLU 130 Ca 0.00 -0.29 -0.42 0.00 -0.00 0.00 0.00 57.16 56.45 1jf7 n GLU 130 Cb 0.05 -1.49 -0.01 0.00 -0.00 0.00 0.00 31.44 29.98 1jf7 n GLU 130 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1jf7 n LYS 131 N -0.64 2.51 -4.63 3.44 3.00 0.59 -4.78 118.16 117.64 1jf7 n LYS 131 Ca 0.22 0.89 -0.24 0.00 -0.00 0.00 0.00 58.31 59.19 1jf7 n LYS 131 Cb 0.18 -2.62 -0.16 0.00 0.00 0.00 0.00 35.03 32.44 1jf7 n LYS 131 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1jf7 s GLU 132 N -0.95 1.43 0.02 1.64 -1.05 -1.26 -2.37 118.70 116.16 1jf7 s GLU 132 Ca 0.62 -0.47 0.06 0.00 -0.15 0.00 0.00 54.97 55.03 1jf7 s GLU 132 Cb -0.53 -1.27 -0.03 0.00 -0.44 0.00 0.00 34.13 31.86 1jf7 s GLU 132 CO 0.53 0.17 -0.14 -1.64 0.95 0.00 0.00 175.26 175.13 1jf7 s MET 133 N 0.15 2.25 -0.07 -4.83 -1.94 0.19 -4.95 119.30 110.10 1jf7 s MET 133 Ca -0.04 -0.88 0.05 0.00 -1.71 0.00 0.00 55.69 53.11 1jf7 s MET 133 Cb -0.11 -2.30 -0.01 0.00 2.01 0.00 0.00 34.83 34.43 1jf7 s MET 133 CO 0.02 0.56 -0.25 -1.50 -0.01 0.00 0.00 175.02 173.84 1jf7 s ILE 134 N -0.94 2.05 -0.54 2.53 2.07 -1.26 0.16 121.20 125.26 1jf7 s ILE 134 Ca 0.15 -1.05 -0.02 0.00 -1.41 0.00 0.00 60.65 58.32 1jf7 s ILE 134 Cb -0.11 -1.75 0.14 0.00 0.13 0.00 0.00 42.46 40.88 1jf7 s ILE 134 CO 0.06 0.56 0.34 -0.36 -1.91 0.00 0.00 174.94 173.63 1jf7 s PHE 135 N 0.02 3.46 0.14 3.50 0.08 -0.24 -4.99 117.98 119.94 1jf7 s PHE 135 Ca -0.09 -2.66 -0.16 0.00 0.12 0.00 0.00 56.93 54.15 1jf7 s PHE 135 Cb -0.15 -3.18 0.01 0.00 -0.57 0.00 0.00 43.02 39.13 1jf7 s PHE 135 CO 0.06 -0.88 1.73 0.93 -0.10 0.00 0.00 175.22 176.96 1jf7 h GLU 136 N 7.34 0.60 0.00 0.44 3.07 -1.98 -1.06 114.58 123.00 1jf7 h GLU 136 Ca -0.06 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1jf7 h GLU 136 Cb 0.98 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1jf7 h GLU 136 CO 0.70 0.50 0.00 -0.40 -1.40 0.00 0.00 179.01 178.42 1jf7 n ASP 137 N -4.69 0.00 0.00 1.42 5.68 -1.26 -2.21 116.55 115.49 1jf7 n ASP 137 Ca 0.01 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1jf7 n ASP 137 Cb 0.10 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 1jf7 n ASP 137 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1jf7 n THR 138 N -1.28 0.00 -3.09 2.12 -2.24 -1.12 -5.02 114.28 103.65 1jf7 n THR 138 Ca 0.05 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 1jf7 n THR 138 Cb 0.08 0.96 0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1jf7 n THR 138 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jf7 n ASN 139 N -0.71 -3.17 -4.17 3.42 3.02 -0.42 -4.96 115.26 108.27 1jf7 n ASN 139 Ca 0.00 -0.41 -0.20 0.00 -0.03 0.00 0.00 54.58 53.94 1jf7 n ASN 139 Cb 0.00 -3.68 -0.13 0.00 -0.61 0.00 0.00 39.78 35.37 1jf7 n ASN 139 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jf7 s LEU 140 N -5.15 2.23 0.10 3.41 1.43 -1.07 -1.52 118.68 118.11 1jf7 s LEU 140 Ca 0.15 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1jf7 s LEU 140 Cb -0.07 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1jf7 s LEU 140 CO 0.50 -0.01 -0.17 -1.59 0.23 0.00 0.00 176.35 175.32 1jf7 s LYS 141 N -1.46 1.02 -0.10 1.70 -2.85 0.04 -1.08 119.74 117.01 1jf7 s LYS 141 Ca 0.01 -1.14 -0.01 0.00 -1.00 0.00 0.00 55.97 53.83 1jf7 s LYS 141 Cb -0.09 -1.09 0.03 0.00 -2.06 0.00 0.00 37.83 34.61 1jf7 s LYS 141 CO 0.02 0.24 -0.05 -1.17 0.10 0.00 0.00 175.35 174.49 1jf7 s LEU 142 N -2.06 0.96 -0.11 2.77 2.96 0.12 -0.66 118.68 122.66 1jf7 s LEU 142 Ca 0.05 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1jf7 s LEU 142 Cb -0.08 -0.68 0.00 0.00 0.50 0.00 0.00 46.19 45.92 1jf7 s LEU 142 CO 0.04 -0.15 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.80 1jf7 s THR 143 N 1.80 2.10 0.16 3.68 2.01 -0.60 0.57 115.64 125.35 1jf7 s THR 143 Ca 0.05 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 1jf7 s THR 143 Cb -0.12 -1.81 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 1jf7 s THR 143 CO -0.07 0.56 1.22 -0.22 -0.69 0.00 0.00 174.62 175.42 1jf7 s LEU 144 N 0.44 4.43 -0.11 4.42 0.20 -1.00 -0.54 118.68 126.52 1jf7 s LEU 144 Ca -0.16 2.22 -0.07 0.00 0.69 0.00 0.00 54.13 56.81 1jf7 s LEU 144 Cb -0.17 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 41.94 1jf7 s LEU 144 CO 0.07 -0.43 -0.17 -0.38 -0.29 0.00 0.00 176.35 175.15 1jf7 n ILE 145 N 2.88 0.88 -3.91 6.68 5.41 -0.32 -4.36 119.36 126.62 1jf7 n ILE 145 Ca 0.06 -0.06 -0.10 0.00 1.00 0.00 0.00 62.75 63.64 1jf7 n ILE 145 Cb 0.45 -1.74 -0.10 0.00 -0.71 0.00 0.00 39.64 37.53 1jf7 n ILE 145 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1jf7 s SER 146 N -6.12 0.10 -0.07 4.38 1.04 -1.18 -4.95 113.70 106.91 1jf7 s SER 146 Ca -0.17 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 55.93 1jf7 s SER 146 Cb 0.06 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.38 1jf7 s SER 146 CO 0.22 -0.33 0.09 -0.70 0.98 0.00 0.00 173.24 173.50 1jf7 s GLU 147 N -1.36 -0.03 -0.55 4.02 2.12 -1.26 -0.98 118.70 120.66 1jf7 s GLU 147 Ca -0.15 0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.59 1jf7 s GLU 147 Cb -0.08 -0.61 0.14 0.00 0.26 0.00 0.00 34.13 33.84 1jf7 s GLU 147 CO 0.01 -0.37 0.30 0.34 -0.54 0.00 0.00 175.26 175.00 1jf7 s ASP 148 N 2.20 4.32 0.03 -1.70 3.68 -0.29 -5.01 116.67 119.91 1jf7 s ASP 148 Ca 0.04 -3.14 -0.30 0.00 2.13 0.00 0.00 52.55 51.28 1jf7 s ASP 148 Cb -0.12 -1.58 -0.04 0.00 -1.45 0.00 0.00 42.92 39.72 1jf7 s ASP 148 CO -0.04 -0.21 1.08 -0.63 0.13 0.00 0.00 175.17 175.50 1jf7 s ILE 149 N -0.45 4.45 0.20 4.11 1.01 -1.26 -2.19 121.20 127.07 1jf7 s ILE 149 Ca 0.19 1.77 0.02 0.00 0.00 0.00 0.00 60.65 62.62 1jf7 s ILE 149 Cb -0.22 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1jf7 s ILE 149 CO -0.03 0.14 0.13 0.29 0.00 0.00 0.00 174.94 175.47 1jf7 n LYS 150 N 3.86 1.25 -0.25 2.79 4.76 0.31 -5.00 118.16 125.88 1jf7 n LYS 150 Ca 0.07 -1.29 0.02 0.00 -2.87 0.00 0.00 58.31 54.25 1jf7 n LYS 150 Cb 0.49 0.17 0.15 0.00 -1.84 0.00 0.00 35.03 33.99 1jf7 n LYS 150 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1jf7 h SER 151 N 0.27 0.44 0.00 4.39 0.87 -2.03 -3.33 113.55 114.17 1jf7 h SER 151 Ca -0.13 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1jf7 h SER 151 Cb 0.47 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1jf7 h SER 151 CO 0.21 0.25 -0.26 0.00 -0.53 0.00 0.00 176.83 176.50 1jf7 n TYR 152 N -4.88 0.00 -3.49 2.24 4.11 -1.26 -5.05 117.16 108.84 1jf7 n TYR 152 Ca 0.12 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.90 57.85 1jf7 n TYR 152 Cb 0.29 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.34 39.58 1jf7 n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1jf7 s TYR 153 N -0.17 -0.41 0.00 -3.48 1.13 -1.25 -2.45 117.35 110.72 1jf7 s TYR 153 Ca 0.02 0.30 0.02 0.00 -1.41 0.00 0.00 57.07 56.00 1jf7 s TYR 153 Cb 0.01 0.53 -0.01 0.00 -1.10 0.00 0.00 41.96 41.40 1jf7 s TYR 153 CO 0.00 -0.62 -0.07 0.99 -2.51 0.00 0.00 175.55 173.34 1jf7 s THR 154 N -3.11 0.55 -0.11 -3.49 2.01 -0.05 -0.53 115.64 110.92 1jf7 s THR 154 Ca 0.03 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1jf7 s THR 154 Cb -0.01 -0.49 0.01 0.00 0.01 0.00 0.00 72.50 72.02 1jf7 s THR 154 CO -0.09 0.08 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.05 1jf7 s VAL 155 N -0.33 1.71 0.10 3.82 1.01 -0.93 -0.35 120.40 125.43 1jf7 s VAL 155 Ca 0.01 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.31 1jf7 s VAL 155 Cb -0.04 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1jf7 s VAL 155 CO -0.00 0.48 -0.27 -0.13 0.00 0.00 0.00 175.10 175.18 1jf7 s ARG 156 N 0.76 1.55 -0.22 2.72 0.52 0.05 -1.13 118.95 123.20 1jf7 s ARG 156 Ca -0.11 -1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 53.72 1jf7 s ARG 156 Cb -0.16 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 1jf7 s ARG 156 CO 0.01 0.47 0.24 -0.65 0.02 0.00 0.00 175.30 175.39 1jf7 s GLN 157 N -1.75 4.12 0.04 3.54 -0.21 -0.15 -1.50 119.66 123.75 1jf7 s GLN 157 Ca 0.13 -0.10 0.08 0.00 0.02 0.00 0.00 55.36 55.48 1jf7 s GLN 157 Cb -0.10 -3.52 -0.03 0.00 1.00 0.00 0.00 33.01 30.36 1jf7 s GLN 157 CO 0.05 0.06 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.57 1jf7 s LEU 158 N 1.04 2.50 -0.25 2.90 1.43 0.16 -1.17 118.68 125.28 1jf7 s LEU 158 Ca 0.11 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1jf7 s LEU 158 Cb -0.14 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 1jf7 s LEU 158 CO 0.05 0.26 0.01 -0.70 0.23 0.00 0.00 176.35 176.19 1jf7 s GLU 159 N -1.38 3.27 -0.29 1.70 2.12 0.30 -0.09 118.70 124.33 1jf7 s GLU 159 Ca 0.14 -0.71 -0.13 0.00 0.36 0.00 0.00 54.97 54.63 1jf7 s GLU 159 Cb -0.10 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 1jf7 s GLU 159 CO 0.04 -0.29 0.29 -1.17 -0.54 0.00 0.00 175.26 173.59 1jf7 s LEU 160 N 1.49 4.11 -0.20 2.70 2.96 0.15 -1.56 118.68 128.32 1jf7 s LEU 160 Ca 0.04 0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 1jf7 s LEU 160 Cb -0.15 -2.27 0.00 0.00 0.50 0.00 0.00 46.19 44.26 1jf7 s LEU 160 CO -0.01 -0.15 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.07 1jf7 s GLU 161 N 1.92 3.24 -0.44 1.98 2.12 0.17 -0.26 118.70 127.42 1jf7 s GLU 161 Ca 0.11 -0.70 -0.28 0.00 0.36 0.00 0.00 54.97 54.46 1jf7 s GLU 161 Cb -0.16 -2.84 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 1jf7 s GLU 161 CO 0.11 -0.19 1.67 1.21 -0.54 0.00 0.00 175.26 177.52 1jf7 s ASN 162 N 1.37 5.89 -0.85 -1.70 3.84 0.85 -0.78 114.94 123.55 1jf7 s ASN 162 Ca 0.05 0.85 -0.21 0.00 0.21 0.00 0.00 52.86 53.75 1jf7 s ASN 162 Cb -0.14 -2.53 0.09 0.00 -0.55 0.00 0.00 41.25 38.12 1jf7 s ASN 162 CO -0.06 -1.79 1.15 -1.48 -2.79 0.00 0.00 177.10 172.13 1jf7 s LEU 163 N 6.91 4.41 0.00 3.21 0.05 -0.58 -1.17 118.68 131.52 1jf7 s LEU 163 Ca 0.69 -1.50 0.00 0.00 0.05 0.00 0.00 54.13 53.37 1jf7 s LEU 163 Cb -0.17 -2.45 0.00 0.00 -2.05 0.00 0.00 46.19 41.52 1jf7 s LEU 163 CO 0.29 -1.32 0.00 1.07 -0.55 0.00 0.00 176.35 175.84 1jf7 n THR 164 N 5.97 0.00 -0.02 5.48 5.66 -1.26 -4.74 114.28 125.36 1jf7 n THR 164 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1jf7 n THR 164 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 1jf7 n THR 164 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1jf7 n THR 165 N 0.00 0.00 -1.15 1.09 -2.24 -1.17 -5.00 114.28 105.81 1jf7 n THR 165 Ca 0.00 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.20 1jf7 n THR 165 Cb 0.00 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1jf7 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jf7 n GLN 166 N -0.06 -1.60 -2.17 -0.78 6.02 -0.31 -4.94 117.38 113.54 1jf7 n GLN 166 Ca 0.00 0.68 -0.41 0.00 -0.01 0.00 0.00 57.00 57.26 1jf7 n GLN 166 Cb 0.01 -4.82 -0.03 0.00 1.02 0.00 0.00 30.24 26.42 1jf7 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1jf7 s GLU 167 N -2.54 4.39 -0.02 -1.09 2.12 -1.18 -4.82 118.70 115.55 1jf7 s GLU 167 Ca 0.00 2.14 0.05 0.00 0.36 0.00 0.00 54.97 57.51 1jf7 s GLU 167 Cb 0.00 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 1jf7 s GLU 167 CO 0.00 -0.17 -0.16 0.99 -0.54 0.00 0.00 175.26 175.38 1jf7 s THR 168 N -0.77 1.29 0.07 -1.70 2.01 -1.26 -0.11 115.64 115.18 1jf7 s THR 168 Ca 0.51 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1jf7 s THR 168 Cb -0.38 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1jf7 s THR 168 CO 0.47 0.37 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.49 1jf7 s ARG 169 N -0.19 0.85 -0.17 4.92 0.52 0.64 -4.96 118.95 120.56 1jf7 s ARG 169 Ca 0.02 -0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 54.11 1jf7 s ARG 169 Cb -0.08 -0.89 -0.04 0.00 0.52 0.00 0.00 34.95 34.46 1jf7 s ARG 169 CO 0.00 0.20 0.34 -2.00 0.02 0.00 0.00 175.30 173.87 1jf7 s GLU 170 N -1.74 4.25 -0.04 3.54 2.12 -1.26 0.31 118.70 125.87 1jf7 s GLU 170 Ca -0.01 0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.53 1jf7 s GLU 170 Cb -0.10 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 1jf7 s GLU 170 CO 0.02 0.15 -0.18 0.42 -0.54 0.00 0.00 175.26 175.14 1jf7 s ILE 171 N 0.72 1.48 -0.07 -3.70 1.01 0.87 -4.88 121.20 116.62 1jf7 s ILE 171 Ca 0.18 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1jf7 s ILE 171 Cb -0.14 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 1jf7 s ILE 171 CO 0.06 0.42 0.23 -0.76 0.00 0.00 0.00 174.94 174.89 1jf7 s LEU 172 N 0.01 4.41 -0.16 2.97 1.43 -0.43 0.36 118.68 127.27 1jf7 s LEU 172 Ca -0.03 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1jf7 s LEU 172 Cb -0.11 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1jf7 s LEU 172 CO 0.02 0.36 -0.11 -2.28 0.23 0.00 0.00 176.35 174.57 1jf7 s HIS 173 N -1.09 2.04 -0.39 0.29 2.46 -0.56 -0.02 115.29 118.01 1jf7 s HIS 173 Ca 0.19 -1.20 -0.03 0.00 0.47 0.00 0.00 55.06 54.49 1jf7 s HIS 173 Cb -0.13 -1.50 0.10 0.00 -0.13 0.00 0.00 32.58 30.92 1jf7 s HIS 173 CO 0.09 -0.65 0.18 -0.06 -2.47 0.00 0.00 174.74 171.82 1jf7 s PHE 174 N 1.53 3.54 -0.43 3.88 0.08 -0.42 -0.77 117.98 125.39 1jf7 s PHE 174 Ca 0.03 -2.32 -0.12 0.00 0.12 0.00 0.00 56.93 54.64 1jf7 s PHE 174 Cb -0.14 -3.08 0.07 0.00 -0.57 0.00 0.00 43.02 39.30 1jf7 s PHE 174 CO -0.09 -0.95 0.29 -1.58 -0.10 0.00 0.00 175.22 172.79 1jf7 s HIS 175 N 1.16 3.29 -0.47 0.36 2.46 0.52 -1.03 115.29 121.59 1jf7 s HIS 175 Ca 0.06 -1.21 -0.29 0.00 0.47 0.00 0.00 55.06 54.10 1jf7 s HIS 175 Cb -0.22 -2.91 0.03 0.00 -0.13 0.00 0.00 32.58 29.34 1jf7 s HIS 175 CO -0.04 -0.79 1.14 -0.47 -2.47 0.00 0.00 174.74 172.12 1jf7 s TYR 176 N 1.52 2.83 -2.22 3.88 6.14 0.67 -0.87 117.35 129.30 1jf7 s TYR 176 Ca 0.03 0.74 0.25 0.00 0.64 0.00 0.00 57.07 58.73 1jf7 s TYR 176 Cb -0.23 -4.40 0.49 0.00 0.42 0.00 0.00 41.96 38.25 1jf7 s TYR 176 CO 0.05 -1.26 1.41 0.25 0.64 0.00 0.00 175.55 176.64 1jf7 n THR 177 N 6.80 0.00 -1.52 4.34 -2.24 -1.02 -3.81 114.28 116.83 1jf7 n THR 177 Ca 0.12 -0.26 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1jf7 n THR 177 Cb 0.49 0.87 0.12 0.00 -2.10 0.00 0.00 70.33 69.71 1jf7 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jf7 n THR 178 N 0.07 1.48 -3.42 4.28 -2.24 -1.23 -4.87 114.28 108.35 1jf7 n THR 178 Ca 0.13 -2.05 -0.44 0.00 -2.27 0.00 0.00 64.05 59.42 1jf7 n THR 178 Cb 0.43 0.01 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 1jf7 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1jf7 s TRP 179 N -2.22 3.25 0.40 4.78 -0.11 -1.26 -4.69 118.94 119.08 1jf7 s TRP 179 Ca 0.29 -0.87 -0.26 0.00 1.22 0.00 0.00 56.10 56.48 1jf7 s TRP 179 Cb 0.27 -3.01 -0.09 0.00 -1.50 0.00 0.00 33.47 29.14 1jf7 s TRP 179 CO -0.02 -0.75 1.31 -1.25 -4.62 0.00 0.00 176.95 171.62 1jf7 s PRO 180 N 1.64 4.01 0.30 5.86 0.04 -1.26 -4.81 135.00 140.78 1jf7 s PRO 180 Ca 0.04 2.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 1jf7 s PRO 180 Cb -0.23 -2.80 -0.12 0.00 0.04 0.00 0.00 34.50 31.40 1jf7 s PRO 180 CO 0.07 -0.47 1.55 -0.40 0.04 0.00 0.00 177.00 177.80 1jf7 n ASP 181 N 0.21 3.68 -2.01 6.66 5.75 -1.26 -0.78 116.55 128.79 1jf7 n ASP 181 Ca 0.03 1.16 -0.17 0.00 -0.01 0.00 0.00 54.79 55.80 1jf7 n ASP 181 Cb 0.43 -1.57 -0.04 0.00 -1.03 0.00 0.00 41.12 38.91 1jf7 n ASP 181 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1jf7 n PHE 182 N 1.89 -0.77 -4.03 2.11 3.72 -1.26 -4.94 117.46 114.17 1jf7 n PHE 182 Ca 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.46 1jf7 n PHE 182 Cb 0.36 -3.21 -0.00 0.00 -0.94 0.00 0.00 39.48 35.69 1jf7 n PHE 182 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jf7 n GLY 183 N -0.65 4.08 3.43 1.37 0.00 0.04 -4.92 105.19 108.54 1jf7 n GLY 183 Ca -0.18 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.63 1jf7 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jf7 s VAL 184 N -1.52 1.89 0.94 1.61 -7.23 -1.26 -4.79 120.40 110.04 1jf7 s VAL 184 Ca 0.01 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 57.87 1jf7 s VAL 184 Cb 0.00 -2.36 0.16 0.00 0.56 0.00 0.00 36.38 34.74 1jf7 s VAL 184 CO 0.01 -0.37 1.11 -2.84 -0.31 0.00 0.00 175.10 172.69 1jf7 s PRO 185 N -3.65 0.86 0.49 4.82 0.02 -1.26 -4.42 135.00 131.86 1jf7 s PRO 185 Ca 0.28 1.25 0.15 0.00 0.02 0.00 0.00 61.00 62.70 1jf7 s PRO 185 Cb 0.01 -1.73 1.17 0.00 0.02 0.00 0.00 34.50 33.97 1jf7 s PRO 185 CO 0.12 -2.64 2.09 1.05 -0.33 0.00 0.00 177.00 177.29 1jf7 h GLU 186 N -1.86 0.16 -2.45 5.54 9.09 -1.99 -3.44 114.58 119.62 1jf7 h GLU 186 Ca -0.48 -0.01 0.04 0.00 0.05 0.00 0.00 59.36 58.97 1jf7 h GLU 186 Cb 1.28 -0.04 -0.15 0.00 -1.65 0.00 0.00 28.75 28.19 1jf7 h GLU 186 CO 0.47 0.11 0.37 -1.54 0.05 0.00 0.00 179.01 178.46 1jf7 s SER 187 N -6.78 -0.47 0.23 3.06 1.04 -1.26 -5.03 113.70 104.49 1jf7 s SER 187 Ca -0.06 0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.41 1jf7 s SER 187 Cb 0.18 0.47 0.32 0.00 0.10 0.00 0.00 66.02 67.08 1jf7 s SER 187 CO 0.70 -0.72 1.82 -0.65 0.98 0.00 0.00 173.24 175.37 1jf7 h PRO 188 N 2.15 0.77 -0.21 4.02 0.11 -1.94 -2.22 132.00 134.67 1jf7 h PRO 188 Ca -0.27 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 1jf7 h PRO 188 Cb 1.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1jf7 h PRO 188 CO 0.34 0.51 -0.04 0.00 -0.21 0.00 0.00 178.00 178.60 1jf7 h ALA 189 N 1.40 0.29 -0.31 -0.75 0.00 -1.97 -1.41 119.26 116.52 1jf7 h ALA 189 Ca 0.35 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1jf7 h ALA 189 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1jf7 h ALA 189 CO -0.20 0.05 -0.16 0.66 0.00 0.00 0.00 179.25 179.60 1jf7 h SER 190 N 0.13 0.54 -0.15 0.00 4.64 -1.96 -0.01 113.55 116.74 1jf7 h SER 190 Ca 0.06 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1jf7 h SER 190 Cb 0.47 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1jf7 h SER 190 CO 0.02 0.72 0.09 0.15 -0.87 0.00 0.00 176.83 176.94 1jf7 h PHE 191 N 0.50 0.20 -0.16 4.77 3.57 -1.04 -2.40 116.94 122.36 1jf7 h PHE 191 Ca 0.08 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 1jf7 h PHE 191 Cb 0.57 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1jf7 h PHE 191 CO 0.02 0.16 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.68 1jf7 h LEU 192 N 0.17 0.49 -0.52 0.59 3.38 -1.13 -0.78 115.31 117.51 1jf7 h LEU 192 Ca 0.05 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1jf7 h LEU 192 Cb 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1jf7 h LEU 192 CO -0.01 0.91 0.25 -1.13 0.09 0.00 0.00 178.44 178.55 1jf7 h ASN 193 N 0.35 0.34 -0.61 -0.43 -1.24 -0.88 0.62 115.58 113.73 1jf7 h ASN 193 Ca 0.01 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1jf7 h ASN 193 Cb 1.01 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.01 1jf7 h ASN 193 CO 0.09 0.23 0.40 0.15 -1.29 0.00 0.00 177.43 177.01 1jf7 h PHE 194 N 0.48 0.78 -0.23 0.67 3.57 -1.00 -1.25 116.94 119.96 1jf7 h PHE 194 Ca 0.24 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 1jf7 h PHE 194 Cb 0.18 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1jf7 h PHE 194 CO -0.11 0.50 0.13 1.25 -2.23 0.00 0.00 178.31 177.84 1jf7 h LEU 195 N 0.83 0.28 -1.38 0.59 6.46 -0.22 -1.87 115.31 120.00 1jf7 h LEU 195 Ca 0.22 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1jf7 h LEU 195 Cb -0.09 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 1jf7 h LEU 195 CO -0.05 0.26 0.02 -0.26 -0.62 0.00 0.00 178.44 177.79 1jf7 h PHE 196 N 0.27 0.44 -0.36 1.25 0.04 0.56 -0.10 116.94 119.04 1jf7 h PHE 196 Ca 0.08 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 1jf7 h PHE 196 Cb 0.03 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1jf7 h PHE 196 CO -0.04 0.43 -0.13 -0.22 -0.60 0.00 0.00 178.31 177.74 1jf7 h LYS 197 N 0.42 0.72 -0.11 1.51 1.63 -0.93 0.14 116.57 119.95 1jf7 h LYS 197 Ca 0.10 -0.30 0.02 0.00 -0.85 0.00 0.00 60.65 59.62 1jf7 h LYS 197 Cb 0.24 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1jf7 h LYS 197 CO 0.00 0.90 0.01 0.28 -3.45 0.00 0.00 179.45 177.20 1jf7 h VAL 198 N 0.51 0.94 -0.52 2.00 2.07 -0.70 -2.26 116.25 118.29 1jf7 h VAL 198 Ca 0.09 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1jf7 h VAL 198 Cb 0.66 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1jf7 h VAL 198 CO 0.04 0.01 0.22 0.03 0.02 0.00 0.00 177.57 177.89 1jf7 h ARG 199 N 0.06 0.74 0.00 1.57 3.08 -0.81 -2.56 114.38 116.46 1jf7 h ARG 199 Ca 0.05 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jf7 h ARG 199 Cb 0.05 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1jf7 h ARG 199 CO -0.07 0.60 0.00 0.93 -1.07 0.00 0.00 179.97 180.35 1jf7 h GLU 200 N 0.74 0.00 0.00 0.04 5.08 -0.41 -2.86 114.58 117.17 1jf7 h GLU 200 Ca 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1jf7 h GLU 200 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jf7 h GLU 200 CO -0.02 0.00 -0.07 0.66 -1.00 0.00 0.00 179.01 178.58 1jf7 h SER 201 N 0.00 0.00 0.00 1.42 4.64 -0.98 -3.47 113.55 115.16 1jf7 h SER 201 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jf7 h SER 201 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1jf7 h SER 201 CO 0.00 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 1jf7 n GLY 202 N 0.79 0.67 0.28 -0.77 0.00 -1.08 -4.97 105.19 100.11 1jf7 n GLY 202 Ca 0.03 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.23 1jf7 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jf7 h SER 203 N 0.00 0.00 -0.40 1.61 0.02 -1.80 -2.69 113.55 110.30 1jf7 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jf7 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jf7 h SER 203 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1jf7 n LEU 204 N -2.88 3.35 -4.78 5.07 4.77 -1.26 -4.26 117.00 117.00 1jf7 n LEU 204 Ca -0.01 -1.58 -0.34 0.00 -0.03 0.00 0.00 56.01 54.04 1jf7 n LEU 204 Cb 0.14 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1jf7 n LEU 204 CO 0.20 0.75 0.76 -0.44 -1.33 0.00 0.00 177.39 177.32 1jf7 s SER 205 N -1.32 5.86 0.26 -1.43 0.01 -1.02 -4.93 113.70 111.14 1jf7 s SER 205 Ca 0.36 2.07 0.23 0.00 1.31 0.00 0.00 55.95 59.92 1jf7 s SER 205 Cb 0.21 -2.57 1.00 0.00 0.21 0.00 0.00 66.02 64.87 1jf7 s SER 205 CO 0.29 -1.12 1.69 -2.65 0.41 0.00 0.00 173.24 171.86 1jf7 n PRO 206 N -1.33 0.18 0.27 12.44 -0.02 -1.26 -1.78 135.00 143.50 1jf7 n PRO 206 Ca 0.11 0.46 0.17 0.00 -2.02 0.00 0.00 63.50 62.21 1jf7 n PRO 206 Cb 0.52 -1.88 0.65 0.00 -0.02 0.00 0.00 33.50 32.77 1jf7 n PRO 206 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jf7 h GLU 207 N 0.00 0.00 -6.13 -0.52 5.08 -1.94 -3.44 114.58 107.63 1jf7 h GLU 207 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1jf7 h GLU 207 Cb 0.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1jf7 h GLU 207 CO 0.00 0.00 -0.43 -1.01 -1.00 0.00 0.00 179.01 176.57 1jf7 s HIS 208 N -3.63 2.74 1.36 4.33 3.76 -0.73 -5.12 115.29 117.99 1jf7 s HIS 208 Ca 0.02 -0.45 -0.23 0.00 -0.15 0.00 0.00 55.06 54.25 1jf7 s HIS 208 Cb 0.09 -1.98 0.35 0.00 1.11 0.00 0.00 32.58 32.14 1jf7 s HIS 208 CO 0.55 0.06 0.97 0.41 -0.85 0.00 0.00 174.74 175.88 1jf7 n GLY 209 N -1.41 -3.42 3.75 -2.22 0.00 -0.90 -4.90 105.19 96.09 1jf7 n GLY 209 Ca 0.01 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1jf7 n GLY 209 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jf7 s PRO 210 N -5.27 4.32 0.59 1.61 0.02 -1.26 -4.57 135.00 130.45 1jf7 s PRO 210 Ca 0.69 2.22 -0.20 0.00 0.02 0.00 0.00 61.00 63.73 1jf7 s PRO 210 Cb -0.10 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1jf7 s PRO 210 CO 0.55 -0.31 1.22 1.55 -0.33 0.00 0.00 177.00 179.68 1jf7 n VAL 211 N 1.99 4.17 -3.68 3.83 3.14 -1.26 -4.54 118.33 121.98 1jf7 n VAL 211 Ca 0.05 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.56 1jf7 n VAL 211 Cb 0.41 -1.45 -0.11 0.00 -1.06 0.00 0.00 33.84 31.64 1jf7 n VAL 211 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1jf7 s VAL 212 N -1.38 5.08 -0.10 1.55 1.01 -0.87 -1.33 120.40 124.36 1jf7 s VAL 212 Ca 0.77 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1jf7 s VAL 212 Cb -0.41 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1jf7 s VAL 212 CO 0.46 0.31 -0.11 -0.69 0.00 0.00 0.00 175.10 175.07 1jf7 s VAL 213 N 1.43 3.33 0.16 2.92 1.01 0.34 0.23 120.40 129.80 1jf7 s VAL 213 Ca 0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 1jf7 s VAL 213 Cb -0.15 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1jf7 s VAL 213 CO 0.07 0.55 0.38 -1.38 0.00 0.00 0.00 175.10 174.72 1jf7 s HIS 214 N -0.19 0.07 0.00 5.22 -3.43 0.47 -1.84 115.29 115.59 1jf7 s HIS 214 Ca 0.01 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 53.84 1jf7 s HIS 214 Cb -0.13 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.18 1jf7 s HIS 214 CO 0.03 -0.77 0.00 0.00 -2.00 0.00 0.00 174.74 172.00 1jf7 h SER 216 N 0.00 0.00 0.89 0.00 0.87 -1.91 -1.95 113.55 111.46 1jf7 h SER 216 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1jf7 h SER 216 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1jf7 h SER 216 CO 0.00 0.66 -0.41 0.00 -0.53 0.00 0.00 176.83 176.55 1jf7 n ALA 217 N -3.00 2.89 -1.40 6.23 0.00 -1.26 -0.14 120.51 123.83 1jf7 n ALA 217 Ca -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 1jf7 n ALA 217 Cb 0.15 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 1jf7 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jf7 n GLY 218 N 1.40 0.52 0.00 0.00 0.00 -1.25 -4.24 105.19 101.62 1jf7 n GLY 218 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1jf7 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jf7 n ILE 219 N -3.23 0.00 0.00 -0.61 -5.35 -1.26 -4.51 119.36 104.40 1jf7 n ILE 219 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1jf7 n ILE 219 Cb 0.24 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 1jf7 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jf7 n GLY 220 N 2.13 1.79 0.16 3.28 0.00 -1.26 -1.72 105.19 109.57 1jf7 n GLY 220 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1jf7 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jf7 h ARG 221 N 0.00 0.05 -0.42 1.61 3.08 -1.95 -0.89 114.38 115.86 1jf7 h ARG 221 Ca 0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1jf7 h ARG 221 Cb 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 1jf7 h ARG 221 CO 0.00 0.03 -0.03 0.77 -1.07 0.00 0.00 179.97 179.67 1jf7 h SER 222 N 0.05 -0.24 -0.95 7.04 0.02 -1.87 -0.02 113.55 117.59 1jf7 h SER 222 Ca 0.18 0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.32 1jf7 h SER 222 Cb 0.27 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 1jf7 h SER 222 CO -0.34 -0.08 0.60 1.23 -1.14 0.00 0.00 176.83 177.10 1jf7 h GLY 223 N 0.08 1.47 0.71 -3.77 0.00 -0.60 -1.93 103.07 99.02 1jf7 h GLY 223 Ca 0.21 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1jf7 h GLY 223 CO -0.37 0.27 0.00 -0.84 0.00 0.00 0.00 176.54 175.60 1jf7 h THR 224 N 1.06 1.24 -0.24 4.70 2.02 -0.02 -0.13 112.91 121.54 1jf7 h THR 224 Ca 0.43 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.96 1jf7 h THR 224 Cb 0.25 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 1jf7 h THR 224 CO -0.20 0.18 -0.15 0.15 0.37 0.00 0.00 175.52 175.87 1jf7 h PHE 225 N -0.28 -0.39 -0.10 3.16 3.57 -0.91 -1.55 116.94 120.45 1jf7 h PHE 225 Ca 0.00 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.32 1jf7 h PHE 225 Cb 0.30 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1jf7 h PHE 225 CO 0.03 -0.23 -0.78 0.00 -2.23 0.00 0.00 178.31 175.10 1jf7 h LEU 227 N 0.38 0.91 -0.14 0.00 5.85 -0.84 -0.68 115.31 120.79 1jf7 h LEU 227 Ca -0.05 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1jf7 h LEU 227 Cb 1.39 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1jf7 h LEU 227 CO 0.15 0.67 -0.27 0.00 -0.34 0.00 0.00 178.44 178.65 1jf7 h ALA 228 N 1.49 0.22 0.20 1.25 0.00 -1.03 -0.09 119.26 121.31 1jf7 h ALA 228 Ca 0.29 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jf7 h ALA 228 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1jf7 h ALA 228 CO -0.06 0.22 -0.21 0.22 0.00 0.00 0.00 179.25 179.42 1jf7 h ASP 229 N 0.04 -0.58 -0.29 0.00 3.58 -1.16 -0.91 116.42 117.11 1jf7 h ASP 229 Ca 0.01 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1jf7 h ASP 229 Cb 0.86 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 1jf7 h ASP 229 CO 0.06 -0.31 0.05 0.74 -2.88 0.00 0.00 179.24 176.90 1jf7 h THR 230 N -0.45 0.85 0.00 2.25 2.02 -1.10 0.12 112.91 116.61 1jf7 h THR 230 Ca 0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1jf7 h THR 230 Cb 0.43 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1jf7 h THR 230 CO -0.06 0.03 -0.33 0.00 0.37 0.00 0.00 175.52 175.53 1jf7 h LEU 232 N 0.00 0.41 -0.48 0.00 3.38 -0.31 -1.24 115.31 117.08 1jf7 h LEU 232 Ca -0.00 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.64 1jf7 h LEU 232 Cb 0.67 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1jf7 h LEU 232 CO 0.04 0.71 0.16 -0.07 0.09 0.00 0.00 178.44 179.37 1jf7 h LEU 233 N 0.11 0.15 -0.66 1.67 4.07 -0.19 0.34 115.31 120.81 1jf7 h LEU 233 Ca 0.05 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.05 1jf7 h LEU 233 Cb 0.54 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1jf7 h LEU 233 CO 0.02 0.12 0.33 -0.07 -1.08 0.00 0.00 178.44 177.77 1jf7 h LEU 234 N 0.33 0.84 -0.71 1.67 3.38 -0.86 -2.36 115.31 117.60 1jf7 h LEU 234 Ca 0.23 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1jf7 h LEU 234 Cb 0.24 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1jf7 h LEU 234 CO -0.24 0.72 0.29 0.24 0.09 0.00 0.00 178.44 179.54 1jf7 h MET 235 N 0.90 1.05 0.00 1.13 2.86 -0.77 -0.79 114.93 119.31 1jf7 h MET 235 Ca 0.23 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1jf7 h MET 235 Cb 0.09 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.57 1jf7 h MET 235 CO -0.03 0.86 0.00 -3.47 1.06 0.00 0.00 176.91 175.33 1jf7 n ASP 236 N -4.38 0.00 0.00 1.22 2.03 0.07 -2.39 116.55 113.10 1jf7 n ASP 236 Ca 0.06 -0.79 0.14 0.00 0.52 0.00 0.00 54.79 54.72 1jf7 n ASP 236 Cb 0.17 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.29 1jf7 n ASP 236 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1jf7 n LYS 237 N -0.68 0.39 -5.14 -0.67 4.76 -0.30 -4.71 118.16 111.81 1jf7 n LYS 237 Ca 0.04 0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 1jf7 n LYS 237 Cb 0.02 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.54 1jf7 n LYS 237 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1jf7 s ARG 238 N -2.59 2.46 0.38 1.97 0.52 -1.00 -5.02 118.95 115.66 1jf7 s ARG 238 Ca 0.27 -0.82 0.13 0.00 -0.52 0.00 0.00 55.73 54.79 1jf7 s ARG 238 Cb 0.19 -2.03 0.76 0.00 0.52 0.00 0.00 34.95 34.39 1jf7 s ARG 238 CO 0.45 0.29 1.85 -0.22 0.02 0.00 0.00 175.30 177.69 1jf7 h LYS 239 N 6.28 0.02 0.00 3.54 3.64 -1.88 -3.40 116.57 124.77 1jf7 h LYS 239 Ca -0.29 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 58.87 1jf7 h LYS 239 Cb 1.19 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1jf7 h LYS 239 CO 0.47 0.35 -1.19 0.22 -2.27 0.00 0.00 179.45 177.03 1jf7 h ASP 240 N 0.02 0.00 0.00 4.20 1.82 -1.95 -3.51 116.42 117.00 1jf7 h ASP 240 Ca -0.00 -0.49 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 1jf7 h ASP 240 Cb 0.60 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1jf7 h ASP 240 CO 0.04 1.44 0.00 -0.81 -1.61 0.00 0.00 179.24 178.30 1jf7 n PRO 241 N -4.45 1.91 -3.59 0.28 -0.05 -1.26 -5.17 135.00 122.67 1jf7 n PRO 241 Ca -0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.13 1jf7 n PRO 241 Cb 0.65 0.00 -0.05 0.00 -0.05 0.00 0.00 33.50 34.06 1jf7 n PRO 241 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 1jf7 s SER 242 N 1.00 -0.93 -0.45 3.54 1.04 -1.26 -4.84 113.70 111.79 1jf7 s SER 242 Ca 0.00 1.32 0.07 0.00 0.48 0.00 0.00 55.95 57.82 1jf7 s SER 242 Cb 0.00 1.94 0.30 0.00 0.10 0.00 0.00 66.02 68.36 1jf7 s SER 242 CO 0.00 -0.19 0.97 -0.24 0.98 0.00 0.00 173.24 174.76 1jf7 n SER 243 N 5.05 -2.02 -4.76 7.02 2.88 -1.26 -4.56 113.62 115.98 1jf7 n SER 243 Ca -0.13 -3.45 -0.36 0.00 -1.33 0.00 0.00 58.87 53.60 1jf7 n SER 243 Cb 0.52 1.48 -0.08 0.00 -0.75 0.00 0.00 64.21 65.38 1jf7 n SER 243 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1jf7 s VAL 244 N 0.02 5.25 -1.02 2.46 1.01 -1.26 -5.02 120.40 121.83 1jf7 s VAL 244 Ca 0.28 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 1jf7 s VAL 244 Cb 0.27 -3.34 0.12 0.00 0.00 0.00 0.00 36.38 33.44 1jf7 s VAL 244 CO -0.12 0.52 1.27 -0.62 0.00 0.00 0.00 175.10 176.15 1jf7 s ASP 245 N -0.19 6.72 0.22 3.32 -1.08 -1.26 -4.87 116.67 119.53 1jf7 s ASP 245 Ca 0.10 -2.19 -0.08 0.00 -0.52 0.00 0.00 52.55 49.86 1jf7 s ASP 245 Cb -0.12 -2.43 0.28 0.00 -1.46 0.00 0.00 42.92 39.19 1jf7 s ASP 245 CO 0.01 -1.06 1.83 0.40 0.52 0.00 0.00 175.17 176.86 1jf7 h ILE 246 N 5.70 1.00 -0.47 4.11 1.08 -1.99 -0.41 117.51 126.53 1jf7 h ILE 246 Ca 0.21 -0.28 0.08 0.00 -0.39 0.00 0.00 64.86 64.49 1jf7 h ILE 246 Cb 0.98 0.12 -0.07 0.00 -3.07 0.00 0.00 36.82 34.78 1jf7 h ILE 246 CO 1.20 0.15 0.06 0.50 -0.69 0.00 0.00 178.15 179.37 1jf7 h LYS 247 N 0.81 0.18 -0.47 2.37 3.64 -2.00 0.14 116.57 121.24 1jf7 h LYS 247 Ca 0.33 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1jf7 h LYS 247 Cb 0.18 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1jf7 h LYS 247 CO -0.18 0.12 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.87 1jf7 h LYS 248 N 0.18 0.80 -0.30 1.90 3.64 -1.75 -1.67 116.57 119.38 1jf7 h LYS 248 Ca 0.24 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1jf7 h LYS 248 Cb 0.33 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1jf7 h LYS 248 CO -0.34 0.83 -0.10 0.28 -2.27 0.00 0.00 179.45 177.85 1jf7 h VAL 249 N 0.74 1.22 -0.36 2.00 2.07 0.61 -2.68 116.25 119.86 1jf7 h VAL 249 Ca 0.14 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.57 1jf7 h VAL 249 Cb 0.49 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1jf7 h VAL 249 CO 0.02 0.32 -0.29 0.25 0.02 0.00 0.00 177.57 177.89 1jf7 h LEU 250 N 0.46 0.88 -0.97 2.57 5.85 0.08 -0.99 115.31 123.19 1jf7 h LEU 250 Ca 0.09 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1jf7 h LEU 250 Cb 0.45 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1jf7 h LEU 250 CO 0.02 1.14 0.36 -0.07 -0.34 0.00 0.00 178.44 179.55 1jf7 h LEU 251 N 0.62 1.00 -0.49 2.25 3.38 -1.32 0.22 115.31 120.96 1jf7 h LEU 251 Ca 0.07 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1jf7 h LEU 251 Cb 0.86 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1jf7 h LEU 251 CO 0.08 0.85 -0.22 -0.08 0.09 0.00 0.00 178.44 179.15 1jf7 h GLU 252 N 1.09 1.00 -0.44 1.13 4.57 -1.41 -2.51 114.58 118.01 1jf7 h GLU 252 Ca 0.26 -0.43 -0.08 0.00 -1.18 0.00 0.00 59.36 57.94 1jf7 h GLU 252 Cb 0.12 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1jf7 h GLU 252 CO -0.03 1.11 -0.04 1.98 -1.18 0.00 0.00 179.01 180.84 1jf7 h MET 253 N 0.86 0.74 0.00 1.92 4.05 -0.84 -2.05 114.93 119.61 1jf7 h MET 253 Ca 0.11 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1jf7 h MET 253 Cb 0.80 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1jf7 h MET 253 CO 0.07 0.78 0.00 0.54 0.23 0.00 0.00 176.91 178.52 1jf7 n ARG 254 N -4.20 0.02 0.14 0.39 1.74 0.74 -1.46 116.66 114.02 1jf7 n ARG 254 Ca 0.02 0.42 -0.01 0.00 -0.77 0.00 0.00 57.85 57.51 1jf7 n ARG 254 Cb 0.32 -1.54 0.16 0.00 -1.02 0.00 0.00 32.46 30.37 1jf7 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1jf7 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.15 -3.22 116.57 119.33 1jf7 h LYS 255 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1jf7 h LYS 255 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1jf7 h LYS 255 CO 0.00 0.62 -0.96 0.74 -0.57 0.00 0.00 179.45 179.28 1jf7 h PHE 256 N 0.00 0.00 -2.01 -1.35 0.04 -1.40 -3.47 116.94 108.76 1jf7 h PHE 256 Ca -0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1jf7 h PHE 256 Cb 1.15 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.09 1jf7 h PHE 256 CO 0.00 0.69 0.10 0.50 -0.60 0.00 0.00 178.31 179.00 1jf7 s ARG 257 N -2.86 0.81 0.57 1.51 3.52 -1.21 -4.59 118.95 116.70 1jf7 s ARG 257 Ca 0.01 1.04 -0.18 0.00 -0.13 0.00 0.00 55.73 56.46 1jf7 s ARG 257 Cb 0.08 0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 33.78 1jf7 s ARG 257 CO 0.79 -0.11 1.11 0.00 -0.81 0.00 0.00 175.30 176.28 1jf7 s MET 258 N 0.62 3.27 -0.09 5.12 0.23 -1.26 -4.16 119.30 123.02 1jf7 s MET 258 Ca -0.02 1.52 0.00 0.00 -1.03 0.00 0.00 55.69 56.16 1jf7 s MET 258 Cb -0.05 -2.00 0.00 0.00 -1.53 0.00 0.00 34.83 31.25 1jf7 s MET 258 CO -0.03 -0.90 0.00 0.41 -2.03 0.00 0.00 175.02 172.47 1jf7 n GLY 259 N -0.09 0.37 3.63 3.16 0.00 -1.26 -4.89 105.19 106.11 1jf7 n GLY 259 Ca 0.11 -0.07 -0.49 0.00 0.00 0.00 0.00 46.02 45.57 1jf7 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jf7 n LEU 260 N -0.10 3.09 -0.90 0.99 4.77 -1.26 -3.93 117.00 119.66 1jf7 n LEU 260 Ca -0.01 0.81 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1jf7 n LEU 260 Cb 0.21 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 1jf7 n LEU 260 CO 0.01 -0.27 0.00 -0.38 -1.33 0.00 0.00 177.39 175.42 1jf7 n ILE 261 N 5.73 -1.81 0.68 -0.08 2.08 -0.70 -4.98 119.36 120.29 1jf7 n ILE 261 Ca 0.27 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.69 1jf7 n ILE 261 Cb 0.28 -2.71 -0.07 0.00 -0.75 0.00 0.00 39.64 36.39 1jf7 n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jf7 n GLN 262 N 0.28 0.21 -4.03 0.38 1.13 -1.25 -4.92 117.38 109.18 1jf7 n GLN 262 Ca 0.00 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 54.94 1jf7 n GLN 262 Cb 0.00 -1.53 -0.10 0.00 0.11 0.00 0.00 30.24 28.72 1jf7 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jf7 s THR 263 N -3.16 0.17 0.40 5.09 -4.23 -1.26 -5.03 115.64 107.62 1jf7 s THR 263 Ca 0.04 -1.39 0.08 0.00 -1.18 0.00 0.00 61.69 59.24 1jf7 s THR 263 Cb 0.15 -0.97 0.29 0.00 1.34 0.00 0.00 72.50 73.31 1jf7 s THR 263 CO 0.85 -0.77 2.01 0.00 -0.54 0.00 0.00 174.62 176.17 1jf7 h ALA 264 N 3.78 1.79 -0.02 3.99 0.00 -1.94 -0.88 119.26 125.99 1jf7 h ALA 264 Ca -0.33 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1jf7 h ALA 264 Cb 1.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1jf7 h ALA 264 CO 0.55 0.13 -0.60 0.22 0.00 0.00 0.00 179.25 179.55 1jf7 h ASP 265 N 0.58 0.07 0.34 0.00 3.58 -1.96 0.46 116.42 119.50 1jf7 h ASP 265 Ca 0.24 -0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.54 1jf7 h ASP 265 Cb 0.20 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 1jf7 h ASP 265 CO -0.07 0.65 -0.45 1.56 -2.88 0.00 0.00 179.24 178.06 1jf7 h GLN 266 N 0.05 0.14 0.60 0.28 4.20 -1.50 0.38 115.11 119.26 1jf7 h GLN 266 Ca -0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1jf7 h GLN 266 Cb 1.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.86 1jf7 h GLN 266 CO 0.08 0.57 -0.29 1.25 -0.67 0.00 0.00 178.83 179.78 1jf7 h LEU 267 N 0.12 -0.68 -0.80 1.46 5.85 -0.86 -1.31 115.31 119.09 1jf7 h LEU 267 Ca 0.01 -0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.88 1jf7 h LEU 267 Cb 0.85 0.18 -0.14 0.00 0.37 0.00 0.00 40.66 41.91 1jf7 h LEU 267 CO 0.07 -0.31 -0.05 -0.09 -0.34 0.00 0.00 178.44 177.72 1jf7 h ARG 268 N -1.11 0.06 -0.80 1.25 2.43 -0.65 -1.11 114.38 114.46 1jf7 h ARG 268 Ca -0.08 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1jf7 h ARG 268 Cb 0.66 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 1jf7 h ARG 268 CO 0.13 0.04 0.48 0.35 -1.51 0.00 0.00 179.97 179.47 1jf7 h PHE 269 N 0.06 0.89 -0.52 2.20 3.57 -0.06 -1.93 116.94 121.14 1jf7 h PHE 269 Ca 0.43 0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.04 1jf7 h PHE 269 Cb 0.76 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.14 1jf7 h PHE 269 CO -0.49 0.45 0.15 0.77 -2.23 0.00 0.00 178.31 176.96 1jf7 h SER 270 N 0.88 0.10 -0.37 0.41 0.02 -0.01 0.87 113.55 115.46 1jf7 h SER 270 Ca 0.35 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1jf7 h SER 270 Cb 0.17 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1jf7 h SER 270 CO -0.17 0.08 0.17 1.88 -1.14 0.00 0.00 176.83 177.65 1jf7 h TYR 271 N 0.30 0.53 -0.98 3.45 -1.99 -1.11 -1.78 116.97 115.39 1jf7 h TYR 271 Ca 0.26 -0.03 0.04 0.00 2.00 0.00 0.00 58.73 61.00 1jf7 h TYR 271 Cb 0.33 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.83 1jf7 h TYR 271 CO -0.20 0.46 0.64 1.25 -0.00 0.00 0.00 178.16 180.32 1jf7 h LEU 272 N 0.45 1.07 -0.26 3.88 5.85 -0.87 -1.21 115.31 124.22 1jf7 h LEU 272 Ca 0.13 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1jf7 h LEU 272 Cb 0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1jf7 h LEU 272 CO -0.01 0.73 0.06 0.00 -0.34 0.00 0.00 178.44 178.87 1jf7 h ALA 273 N 1.41 0.34 -0.73 1.25 0.00 -0.64 -1.58 119.26 119.30 1jf7 h ALA 273 Ca 0.39 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1jf7 h ALA 273 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1jf7 h ALA 273 CO -0.13 -0.00 0.21 0.28 0.00 0.00 0.00 179.25 179.61 1jf7 h VAL 274 N 0.24 1.26 0.52 0.00 2.07 -0.92 0.25 116.25 119.67 1jf7 h VAL 274 Ca 0.08 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 1jf7 h VAL 274 Cb 0.28 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1jf7 h VAL 274 CO 0.00 0.36 -0.25 0.40 0.02 0.00 0.00 177.57 178.10 1jf7 h ILE 275 N 1.10 0.41 -0.86 4.57 2.04 -1.16 -1.60 117.51 122.00 1jf7 h ILE 275 Ca 0.24 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1jf7 h ILE 275 Cb 0.33 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1jf7 h ILE 275 CO -0.00 0.05 0.57 -0.33 0.00 0.00 0.00 178.15 178.43 1jf7 h GLU 276 N -0.92 1.06 -0.19 2.37 4.39 -1.26 -1.17 114.58 118.86 1jf7 h GLU 276 Ca -0.07 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1jf7 h GLU 276 Cb 0.61 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1jf7 h GLU 276 CO 0.12 0.70 0.03 0.78 -1.16 0.00 0.00 179.01 179.48 1jf7 h GLY 277 N 1.09 0.33 1.57 -3.84 0.00 -0.45 0.02 103.07 101.80 1jf7 h GLY 277 Ca 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1jf7 h GLY 277 CO -0.10 0.20 0.23 0.00 0.00 0.00 0.00 176.54 176.87 1jf7 h ALA 278 N 0.83 1.61 0.14 3.60 0.00 -1.05 0.57 119.26 124.96 1jf7 h ALA 278 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jf7 h ALA 278 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jf7 h ALA 278 CO 0.00 0.33 -0.07 -0.22 0.00 0.00 0.00 179.25 179.29 1jf7 h LYS 279 N 0.58 -0.19 -0.05 0.00 3.64 -0.72 0.15 116.57 119.98 1jf7 h LYS 279 Ca 0.15 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1jf7 h LYS 279 Cb 0.02 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1jf7 h LYS 279 CO -0.02 0.03 -0.04 0.35 -2.27 0.00 0.00 179.45 177.49 1jf7 h PHE 280 N -0.38 -0.11 -0.16 1.91 3.57 -0.27 -3.11 116.94 118.40 1jf7 h PHE 280 Ca -0.02 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1jf7 h PHE 280 Cb 0.30 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1jf7 h PHE 280 CO -0.01 -0.07 -0.08 0.82 -2.23 0.00 0.00 178.31 176.74 1jf7 h ILE 281 N -0.06 0.74 0.00 1.41 2.04 -0.83 -3.51 117.51 117.30 1jf7 h ILE 281 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1jf7 h ILE 281 Cb 0.11 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1jf7 h ILE 281 CO -0.08 0.00 0.00 1.15 0.00 0.00 0.00 178.15 179.22