#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgi s PRO 2 N 0.00 2.97 0.35 1.43 0.04 -1.26 -5.06 135.00 133.47 1jgi s PRO 2 Ca 0.00 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.51 1jgi s PRO 2 Cb 0.00 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1jgi s PRO 2 CO 0.00 -1.12 0.33 0.54 0.04 0.00 0.00 177.00 176.79 1jgi s ASN 3 N -2.48 5.33 0.15 6.66 2.20 -1.26 -4.99 114.94 120.56 1jgi s ASN 3 Ca 0.67 -0.50 -0.20 0.00 -0.94 0.00 0.00 52.86 51.90 1jgi s ASN 3 Cb -0.20 -0.93 0.04 0.00 -2.00 0.00 0.00 41.25 38.15 1jgi s ASN 3 CO 0.38 -0.41 1.67 -1.28 -2.94 0.00 0.00 177.10 174.52 1jgi h SER 4 N 1.17 -0.45 -0.58 3.54 0.87 -1.96 -1.71 113.55 114.44 1jgi h SER 4 Ca -0.44 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.27 1jgi h SER 4 Cb 1.26 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 63.42 1jgi h SER 4 CO 0.57 -0.17 0.32 -0.61 -0.53 0.00 0.00 176.83 176.41 1jgi h GLN 5 N -0.09 0.59 -0.03 2.24 4.15 -1.96 -0.67 115.11 119.34 1jgi h GLN 5 Ca 0.15 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1jgi h GLN 5 Cb 0.31 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1jgi h GLN 5 CO -0.34 0.39 0.01 -0.92 -1.93 0.00 0.00 178.83 176.04 1jgi h TYR 6 N 0.60 0.04 -0.48 3.99 3.20 -1.90 -2.75 116.97 119.68 1jgi h TYR 6 Ca 0.25 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1jgi h TYR 6 Cb 0.13 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1jgi h TYR 6 CO -0.09 0.18 0.18 -0.07 -1.64 0.00 0.00 178.16 176.73 1jgi h LEU 7 N -0.11 0.62 -1.10 2.82 3.38 -1.06 -2.48 115.31 117.38 1jgi h LEU 7 Ca 0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jgi h LEU 7 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jgi h LEU 7 CO -0.00 0.57 -0.21 0.11 0.09 0.00 0.00 178.44 179.01 1jgi h LYS 8 N 0.68 0.38 -0.24 1.13 1.57 -1.02 -1.43 116.57 117.65 1jgi h LYS 8 Ca 0.16 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1jgi h LYS 8 Cb 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1jgi h LYS 8 CO -0.01 0.58 -0.09 1.79 -0.57 0.00 0.00 179.45 181.14 1jgi h THR 9 N 0.35 1.20 0.00 -0.16 1.35 -1.15 -2.35 112.91 112.15 1jgi h THR 9 Ca 0.06 -0.84 -0.12 0.00 -0.55 0.00 0.00 66.41 64.96 1jgi h THR 9 Cb 0.56 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.09 1jgi h THR 9 CO 0.04 0.27 -0.57 0.03 -0.25 0.00 0.00 175.52 175.05 1jgi h ARG 10 N 0.36 0.00 -0.50 4.72 3.08 -1.32 -3.09 114.38 117.64 1jgi h ARG 10 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1jgi h ARG 10 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1jgi h ARG 10 CO 0.02 0.56 0.05 0.82 -1.07 0.00 0.00 179.97 180.35 1jgi h ILE 11 N 0.00 1.25 0.00 2.04 2.04 -0.77 -2.62 117.51 119.46 1jgi h ILE 11 Ca -0.01 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1jgi h ILE 11 Cb 1.43 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1jgi h ILE 11 CO 0.07 0.35 0.00 0.18 0.00 0.00 0.00 178.15 178.75 1jgi n LEU 12 N -4.38 0.00 0.06 1.44 4.77 -0.97 -3.50 117.00 114.42 1jgi n LEU 12 Ca 0.01 0.36 0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1jgi n LEU 12 Cb 0.28 -0.36 0.33 0.00 -2.33 0.00 0.00 43.42 41.34 1jgi n LEU 12 CO 0.41 -0.10 0.73 0.47 -1.33 0.00 0.00 177.39 177.57 1jgi n ASP 13 N -1.36 0.25 0.21 -1.43 8.00 -0.99 -1.85 116.55 119.39 1jgi n ASP 13 Ca 0.08 0.58 0.14 0.00 0.71 0.00 0.00 54.79 56.30 1jgi n ASP 13 Cb 0.19 -0.63 0.43 0.00 -0.02 0.00 0.00 41.12 41.09 1jgi n ASP 13 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1jgi h ILE 14 N 0.00 0.00 -3.16 0.53 3.07 -1.76 -3.45 117.51 112.74 1jgi h ILE 14 Ca 0.00 -0.64 -0.55 0.00 1.55 0.00 0.00 64.86 65.22 1jgi h ILE 14 Cb 0.20 1.60 -0.03 0.00 -0.27 0.00 0.00 36.82 38.32 1jgi h ILE 14 CO 0.00 0.00 -0.24 -0.31 -1.05 0.00 0.00 178.15 176.55 1jgi s TYR 15 N -3.35 3.47 0.80 0.16 1.51 -0.77 -5.09 117.35 114.07 1jgi s TYR 15 Ca 0.05 0.59 -0.12 0.00 -1.01 0.00 0.00 57.07 56.59 1jgi s TYR 15 Cb 0.08 -2.04 0.07 0.00 -0.11 0.00 0.00 41.96 39.96 1jgi s TYR 15 CO 0.58 0.33 1.11 0.95 -1.11 0.00 0.00 175.55 177.40 1jgi s THR 16 N -1.83 2.93 0.27 -0.71 -4.23 -1.26 -4.67 115.64 106.15 1jgi s THR 16 Ca 0.42 0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1jgi s THR 16 Cb -0.11 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.87 1jgi s THR 16 CO 0.26 -0.40 1.72 -0.65 -0.54 0.00 0.00 174.62 175.02 1jgi h PRO 17 N -1.07 0.45 0.50 3.99 0.11 -1.98 0.21 132.00 134.22 1jgi h PRO 17 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1jgi h PRO 17 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1jgi h PRO 17 CO 0.61 0.30 -0.24 0.93 -0.21 0.00 0.00 178.00 179.39 1jgi h GLU 18 N 0.47 -0.65 -0.32 1.05 5.08 -2.01 -2.39 114.58 115.81 1jgi h GLU 18 Ca 0.48 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.89 1jgi h GLU 18 Cb 0.80 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1jgi h GLU 18 CO -0.45 -0.37 0.20 1.96 -1.00 0.00 0.00 179.01 179.36 1jgi h GLN 19 N -0.83 0.40 -0.40 2.33 4.20 -1.81 -3.02 115.11 115.98 1jgi h GLN 19 Ca -0.07 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.70 1jgi h GLN 19 Cb 0.58 -0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.18 1jgi h GLN 19 CO 0.11 0.27 -0.34 -0.09 -0.67 0.00 0.00 178.83 178.11 1jgi h ARG 20 N 0.41 -0.25 -0.94 1.46 2.43 -0.54 0.29 114.38 117.24 1jgi h ARG 20 Ca 0.12 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.50 1jgi h ARG 20 Cb -0.03 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.50 1jgi h ARG 20 CO -0.04 -0.17 0.61 0.00 -1.51 0.00 0.00 179.97 178.86 1jgi h ALA 21 N 0.73 1.97 -0.09 2.80 0.00 -1.32 -0.07 119.26 123.28 1jgi h ALA 21 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1jgi h ALA 21 Cb 0.54 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jgi h ALA 21 CO -0.55 -0.28 -0.01 0.78 0.00 0.00 0.00 179.25 179.19 1jgi h GLY 22 N 0.58 0.17 0.74 0.00 0.00 -0.38 -3.12 103.07 101.06 1jgi h GLY 22 Ca 0.51 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.73 1jgi h GLY 22 CO -0.25 0.12 -0.02 -2.22 0.00 0.00 0.00 176.54 174.17 1jgi h ILE 23 N -0.15 0.87 -1.20 2.60 1.08 0.17 -2.44 117.51 118.44 1jgi h ILE 23 Ca 0.02 -0.00 0.35 0.00 -0.39 0.00 0.00 64.86 64.84 1jgi h ILE 23 Cb 0.39 0.86 -0.10 0.00 -3.07 0.00 0.00 36.82 34.90 1jgi h ILE 23 CO 0.01 0.00 0.79 -0.33 -0.69 0.00 0.00 178.15 177.93 1jgi h GLU 24 N 0.01 0.20 -0.02 2.37 4.39 -1.05 0.24 114.58 120.73 1jgi h GLU 24 Ca 0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1jgi h GLU 24 Cb 0.10 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1jgi h GLU 24 CO -0.13 0.14 -0.29 1.63 -1.16 0.00 0.00 179.01 179.20 1jgi n LYS 25 N -4.57 1.50 -2.44 2.33 4.01 -0.97 -4.76 118.16 113.27 1jgi n LYS 25 Ca 0.31 -1.19 -0.38 0.00 -0.51 0.00 0.00 58.31 56.54 1jgi n LYS 25 Cb 1.18 -1.48 -0.03 0.00 -0.51 0.00 0.00 35.03 34.19 1jgi n LYS 25 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1jgi s SER 26 N -2.32 6.79 0.25 4.39 1.04 0.84 -4.95 113.70 119.74 1jgi s SER 26 Ca 0.23 2.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.81 1jgi s SER 26 Cb 0.19 -2.61 0.26 0.00 0.10 0.00 0.00 66.02 63.97 1jgi s SER 26 CO 0.47 -0.48 1.92 -0.08 0.98 0.00 0.00 173.24 176.06 1jgi h GLU 27 N 2.86 1.29 -0.79 4.02 4.57 -1.93 -1.95 114.58 122.64 1jgi h GLU 27 Ca -0.48 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1jgi h GLU 27 Cb 1.22 -0.29 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1jgi h GLU 27 CO 0.63 0.85 0.49 -0.44 -1.18 0.00 0.00 179.01 179.37 1jgi h ASP 28 N 1.33 0.94 -0.43 1.04 3.32 -1.92 -1.47 116.42 119.23 1jgi h ASP 28 Ca 0.37 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 1jgi h ASP 28 Cb -0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1jgi h ASP 28 CO -0.09 0.71 -0.16 -0.25 -1.72 0.00 0.00 179.24 177.74 1jgi h TRP 29 N 1.08 1.03 -0.85 4.55 2.91 -1.69 -1.17 115.95 121.81 1jgi h TRP 29 Ca 0.29 -0.22 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1jgi h TRP 29 Cb -0.07 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.29 1jgi h TRP 29 CO -0.01 1.00 0.48 -0.09 -1.03 0.00 0.00 178.44 178.79 1jgi h ARG 30 N 0.81 1.18 0.14 2.65 1.12 -0.89 0.39 114.38 119.77 1jgi h ARG 30 Ca 0.12 -0.13 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1jgi h ARG 30 Cb 0.70 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1jgi h ARG 30 CO 0.05 0.86 -0.07 1.96 -3.11 0.00 0.00 179.97 179.66 1jgi h GLN 31 N 1.18 -0.18 -0.38 0.20 1.08 -1.05 -1.46 115.11 114.50 1jgi h GLN 31 Ca 0.30 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.55 1jgi h GLN 31 Cb 0.01 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1jgi h GLN 31 CO -0.05 0.09 0.17 0.35 -0.95 0.00 0.00 178.83 178.44 1jgi h PHE 32 N -0.45 0.31 -0.42 2.96 3.57 -0.94 -1.16 116.94 120.82 1jgi h PHE 32 Ca -0.02 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1jgi h PHE 32 Cb 0.35 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1jgi h PHE 32 CO 0.01 0.16 0.22 1.03 -2.23 0.00 0.00 178.31 177.50 1jgi h SER 33 N 0.36 0.33 -0.10 0.41 0.87 -0.20 0.15 113.55 115.36 1jgi h SER 33 Ca 0.16 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1jgi h SER 33 Cb 0.09 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1jgi h SER 33 CO -0.13 0.23 0.05 -0.09 -0.53 0.00 0.00 176.83 176.37 1jgi h ARG 34 N 0.44 0.14 -0.36 2.24 2.43 -0.91 -1.87 114.38 116.49 1jgi h ARG 34 Ca 0.18 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1jgi h ARG 34 Cb 0.07 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1jgi h ARG 34 CO -0.12 0.17 -0.06 0.00 -1.51 0.00 0.00 179.97 178.46 1jgi h ARG 35 N 0.07 0.59 -0.02 0.20 3.08 -0.99 -2.03 114.38 115.28 1jgi h ARG 35 Ca 0.04 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1jgi h ARG 35 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1jgi h ARG 35 CO -0.01 0.66 -0.05 0.52 -1.07 0.00 0.00 179.97 180.02 1jgi h MET 36 N 0.55 -0.08 -0.90 0.04 2.86 -0.42 0.30 114.93 117.29 1jgi h MET 36 Ca 0.11 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1jgi h MET 36 Cb 0.44 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1jgi h MET 36 CO 0.02 -0.05 0.59 -0.44 1.06 0.00 0.00 176.91 178.09 1jgi h ASP 37 N -0.08 1.05 -0.12 1.22 3.32 -1.01 0.35 116.42 121.15 1jgi h ASP 37 Ca 0.03 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1jgi h ASP 37 Cb 0.12 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1jgi h ASP 37 CO -0.07 0.77 -0.21 0.74 -1.72 0.00 0.00 179.24 178.75 1jgi h THR 38 N 1.23 1.38 0.00 0.35 2.02 -0.94 -3.39 112.91 113.56 1jgi h THR 38 Ca 0.33 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1jgi h THR 38 Cb -0.12 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1jgi h THR 38 CO -0.07 0.43 -1.27 1.41 0.37 0.00 0.00 175.52 176.39 1jgi n HIS 39 N -4.50 0.00 -0.23 3.16 8.25 0.10 -4.55 115.22 117.44 1jgi n HIS 39 Ca -0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.35 1jgi n HIS 39 Cb 0.42 -0.18 0.07 0.00 1.12 0.00 0.00 29.99 31.41 1jgi n HIS 39 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1jgi h PHE 40 N 0.00 0.78 -0.99 4.41 3.57 -0.43 -2.34 116.94 121.94 1jgi h PHE 40 Ca 0.00 0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.77 1jgi h PHE 40 Cb 0.59 -0.26 -0.13 0.00 2.79 0.00 0.00 35.95 38.95 1jgi h PHE 40 CO 0.00 0.46 0.56 -1.35 -2.23 0.00 0.00 178.31 175.75 1jgi h PRO 41 N 0.82 0.50 -0.32 6.41 0.11 -1.80 0.90 132.00 138.62 1jgi h PRO 41 Ca 0.26 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 1jgi h PRO 41 Cb -0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1jgi h PRO 41 CO -0.10 0.33 -0.21 0.87 -0.21 0.00 0.00 178.00 178.69 1jgi h LYS 42 N 0.52 0.71 -0.44 1.05 1.57 -1.72 -1.63 116.57 116.64 1jgi h LYS 42 Ca 0.65 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1jgi h LYS 42 Cb 1.27 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1jgi h LYS 42 CO -0.50 0.94 0.28 1.25 -0.57 0.00 0.00 179.45 180.85 1jgi h LEU 43 N 0.48 0.51 -0.13 2.94 5.85 -0.67 -0.90 115.31 123.38 1jgi h LEU 43 Ca 0.07 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1jgi h LEU 43 Cb 0.76 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1jgi h LEU 43 CO 0.06 0.39 0.06 -0.03 -0.34 0.00 0.00 178.44 178.58 1jgi h MET 44 N 0.58 0.19 -0.41 1.25 4.05 -0.90 -1.69 114.93 118.01 1jgi h MET 44 Ca 0.16 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1jgi h MET 44 Cb -0.04 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1jgi h MET 44 CO -0.03 0.27 0.26 -0.97 0.23 0.00 0.00 176.91 176.66 1jgi h ASN 45 N 0.07 0.48 0.11 1.39 -1.24 -1.13 -0.00 115.58 115.26 1jgi h ASN 45 Ca 0.04 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 1jgi h ASN 45 Cb 0.14 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.07 1jgi h ASN 45 CO -0.00 0.37 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.12 1jgi h GLU 46 N 0.55 -0.14 -0.90 6.67 4.39 -1.11 -1.34 114.58 122.70 1jgi h GLU 46 Ca 0.15 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1jgi h GLU 46 Cb -0.03 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1jgi h GLU 46 CO -0.03 0.03 0.59 -0.07 -1.16 0.00 0.00 179.01 178.37 1jgi h LEU 47 N -0.29 0.99 -1.03 1.33 3.38 -1.21 -1.93 115.31 116.54 1jgi h LEU 47 Ca -0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1jgi h LEU 47 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jgi h LEU 47 CO 0.02 0.69 -0.26 -0.78 0.09 0.00 0.00 178.44 178.20 1jgi h ASP 48 N 1.15 0.37 0.94 -0.43 1.82 -0.81 0.65 116.42 120.11 1jgi h ASP 48 Ca 0.35 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 1jgi h ASP 48 Cb -0.03 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 39.88 1jgi h ASP 48 CO -0.10 0.64 -0.02 0.77 -1.61 0.00 0.00 179.24 178.92 1jgi h SER 49 N 0.33 0.00 0.00 2.28 4.64 -0.44 0.44 113.55 120.80 1jgi h SER 49 Ca 0.05 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.07 1jgi h SER 49 Cb 0.64 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.69 1jgi h SER 49 CO 0.05 0.02 -1.96 0.52 -0.87 0.00 0.00 176.83 174.59 1jgi n VAL 50 N -3.12 1.52 0.33 0.95 0.31 -1.01 -4.68 118.33 112.63 1jgi n VAL 50 Ca 0.00 -0.19 0.12 0.00 -0.01 0.00 0.00 64.34 64.26 1jgi n VAL 50 Cb 0.30 -2.05 0.10 0.00 -0.91 0.00 0.00 33.84 31.27 1jgi n VAL 50 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1jgi h TYR 51 N -1.00 0.00 0.00 3.52 0.05 -0.97 -3.49 116.97 115.07 1jgi h TYR 51 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1jgi h TYR 51 Cb 1.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.12 1jgi h TYR 51 CO -0.20 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.32 1jgi n GLY 52 N 1.25 3.45 1.11 3.88 0.00 0.14 -1.77 105.19 113.25 1jgi n GLY 52 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1jgi n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jgi n ASN 53 N 4.81 3.17 -4.58 1.61 3.02 -1.26 -4.84 115.26 117.19 1jgi n ASN 53 Ca 0.00 -2.36 -0.52 0.00 -0.03 0.00 0.00 54.58 51.67 1jgi n ASN 53 Cb 0.00 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.61 1jgi n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jgi n ASN 54 N 0.45 1.45 -0.05 6.41 2.85 -0.73 -4.82 115.26 120.83 1jgi n ASN 54 Ca 0.15 1.13 0.14 0.00 -0.11 0.00 0.00 54.58 55.88 1jgi n ASN 54 Cb 0.64 -1.17 0.56 0.00 1.24 0.00 0.00 39.78 41.05 1jgi n ASN 54 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1jgi h GLU 55 N 4.28 0.27 -0.00 1.20 -0.00 -1.93 -2.10 114.58 116.30 1jgi h GLU 55 Ca -0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 1jgi h GLU 55 Cb 1.35 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 1jgi h GLU 55 CO 0.76 0.18 -0.04 0.00 -0.00 0.00 0.00 179.01 179.90 1jgi n ALA 56 N -2.55 2.45 0.34 1.06 0.00 -1.26 -4.26 120.51 116.29 1jgi n ALA 56 Ca 0.09 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 1jgi n ALA 56 Cb 0.42 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 1jgi n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jgi h LEU 57 N 0.01 -1.02 0.11 0.00 5.85 -1.73 -0.67 115.31 117.86 1jgi h LEU 57 Ca 0.00 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1jgi h LEU 57 Cb 0.48 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1jgi h LEU 57 CO 0.00 -0.61 -0.18 0.25 -0.34 0.00 0.00 178.44 177.56 1jgi h LEU 58 N -0.96 -0.51 -0.79 2.25 5.85 -1.78 0.22 115.31 119.59 1jgi h LEU 58 Ca -0.07 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1jgi h LEU 58 Cb 0.79 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1jgi h LEU 58 CO 0.06 -0.26 0.46 -0.65 -0.34 0.00 0.00 178.44 177.71 1jgi h PRO 59 N -0.36 0.80 -0.24 5.25 0.11 -1.77 -0.41 132.00 135.37 1jgi h PRO 59 Ca 0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1jgi h PRO 59 Cb 0.37 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1jgi h PRO 59 CO -0.09 0.53 0.06 1.98 -0.21 0.00 0.00 178.00 180.26 1jgi h MET 60 N 0.82 0.39 -0.23 1.05 1.85 -0.80 -1.98 114.93 116.05 1jgi h MET 60 Ca 0.36 -0.09 0.04 0.00 -0.61 0.00 0.00 59.70 59.39 1jgi h MET 60 Cb 0.24 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 1jgi h MET 60 CO -0.20 0.50 0.00 1.25 -0.40 0.00 0.00 176.91 178.06 1jgi h LEU 61 N 0.22 -0.08 -1.09 3.39 5.85 0.13 0.22 115.31 123.96 1jgi h LEU 61 Ca 0.08 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1jgi h LEU 61 Cb 0.28 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1jgi h LEU 61 CO 0.00 -0.01 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.76 1jgi h GLU 62 N 0.08 0.64 -0.44 1.25 5.08 -1.06 -0.05 114.58 120.07 1jgi h GLU 62 Ca 0.11 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1jgi h GLU 62 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1jgi h GLU 62 CO -0.18 0.66 0.07 1.98 -1.00 0.00 0.00 179.01 180.55 1jgi h MET 63 N 0.61 0.73 -0.68 2.33 4.05 -0.65 -1.52 114.93 119.79 1jgi h MET 63 Ca 0.12 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1jgi h MET 63 Cb 0.39 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 1jgi h MET 63 CO 0.01 0.76 0.36 1.25 0.23 0.00 0.00 176.91 179.52 1jgi h LEU 64 N 0.58 0.87 -0.48 3.39 5.85 0.09 -2.02 115.31 123.59 1jgi h LEU 64 Ca 0.13 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 1jgi h LEU 64 Cb 0.39 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1jgi h LEU 64 CO 0.01 0.73 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.46 1jgi h LEU 65 N 0.94 0.96 -0.79 2.25 3.38 -0.89 0.84 115.31 122.00 1jgi h LEU 65 Ca 0.24 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1jgi h LEU 65 Cb 0.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1jgi h LEU 65 CO -0.04 1.19 0.40 0.00 0.09 0.00 0.00 178.44 180.08 1jgi h ALA 66 N 0.87 1.01 -0.54 1.53 0.00 -1.14 -0.66 119.26 120.33 1jgi h ALA 66 Ca 0.08 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1jgi h ALA 66 Cb 0.89 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1jgi h ALA 66 CO 0.08 0.56 -0.10 0.37 0.00 0.00 0.00 179.25 180.16 1jgi h GLN 67 N 1.11 1.02 -0.46 0.00 4.15 -1.16 -2.38 115.11 117.39 1jgi h GLN 67 Ca 0.27 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1jgi h GLN 67 Cb 0.08 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1jgi h GLN 67 CO -0.04 1.06 0.20 0.00 -1.93 0.00 0.00 178.83 178.12 1jgi h ALA 68 N 0.96 0.59 -0.16 3.38 0.00 -0.26 0.35 119.26 124.13 1jgi h ALA 68 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jgi h ALA 68 Cb 0.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jgi h ALA 68 CO 0.05 0.18 0.10 2.35 0.00 0.00 0.00 179.25 181.93 1jgi h TRP 69 N 0.59 0.20 -0.88 0.00 -0.00 -1.03 0.45 115.95 115.29 1jgi h TRP 69 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.03 1jgi h TRP 69 Cb 0.16 -0.07 -0.04 0.00 -0.00 0.00 0.00 29.16 29.21 1jgi h TRP 69 CO -0.00 0.14 0.48 1.96 -0.00 0.00 0.00 178.44 181.03 1jgi h GLN 70 N 0.20 1.22 -0.12 2.65 1.08 -1.26 0.16 115.11 119.04 1jgi h GLN 70 Ca 0.06 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1jgi h GLN 70 Cb -0.00 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1jgi h GLN 70 CO -0.01 0.89 0.07 1.03 -0.95 0.00 0.00 178.83 179.85 1jgi h SER 71 N 1.22 0.16 -0.59 1.46 0.87 -0.43 -1.24 113.55 115.00 1jgi h SER 71 Ca 0.31 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1jgi h SER 71 Cb 0.02 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1jgi h SER 71 CO -0.05 0.21 0.10 0.22 -0.53 0.00 0.00 176.83 176.78 1jgi h TYR 72 N 0.09 1.06 -0.91 2.24 3.20 -0.55 0.56 116.97 122.66 1jgi h TYR 72 Ca 0.04 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.79 1jgi h TYR 72 Cb 0.09 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 1jgi h TYR 72 CO -0.04 0.89 0.60 1.03 -1.64 0.00 0.00 178.16 179.01 1jgi h SER 73 N 0.94 1.02 0.77 -2.11 0.87 -0.45 -2.31 113.55 112.28 1jgi h SER 73 Ca 0.19 -0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.53 1jgi h SER 73 Cb 0.41 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1jgi h SER 73 CO 0.01 0.73 -0.91 1.56 -0.53 0.00 0.00 176.83 177.69 1jgi h GLN 74 N 1.20 0.08 -6.11 2.24 4.20 -0.77 -3.47 115.11 112.49 1jgi h GLN 74 Ca 0.34 -0.10 -0.73 0.00 0.06 0.00 0.00 58.65 58.22 1jgi h GLN 74 Cb -0.10 0.03 0.06 0.00 0.30 0.00 0.00 27.48 27.78 1jgi h GLN 74 CO -0.08 0.93 0.10 -2.13 -0.67 0.00 0.00 178.83 176.98 1jgi n ARG 75 N -3.55 0.43 -1.98 1.46 0.63 0.15 -4.85 116.66 108.95 1jgi n ARG 75 Ca -0.02 0.15 -0.38 0.00 -0.92 0.00 0.00 57.85 56.68 1jgi n ARG 75 Cb 0.84 -1.62 0.01 0.00 0.45 0.00 0.00 32.46 32.15 1jgi n ARG 75 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1jgi s ASN 76 N -0.02 5.84 0.26 6.15 3.84 -1.26 -4.82 114.94 124.92 1jgi s ASN 76 Ca 0.83 2.63 -0.02 0.00 0.21 0.00 0.00 52.86 56.52 1jgi s ASN 76 Cb -1.10 -2.63 0.51 0.00 -0.55 0.00 0.00 41.25 37.48 1jgi s ASN 76 CO 0.54 -1.17 1.76 -1.28 -2.79 0.00 0.00 177.10 174.16 1jgi h SER 77 N 2.02 0.49 -0.86 -4.21 0.87 -1.97 -0.61 113.55 109.28 1jgi h SER 77 Ca -0.50 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1jgi h SER 77 Cb 1.27 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.20 1jgi h SER 77 CO 0.60 0.21 0.44 0.28 -0.53 0.00 0.00 176.83 177.83 1jgi h SER 78 N 0.60 1.11 0.29 6.23 0.02 -2.00 -1.70 113.55 118.10 1jgi h SER 78 Ca 0.45 -0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 61.18 1jgi h SER 78 Cb 0.63 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1jgi h SER 78 CO -0.36 0.92 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.75 1jgi h LEU 79 N 1.22 0.19 -1.27 5.07 3.38 -1.53 -2.11 115.31 120.26 1jgi h LEU 79 Ca 0.30 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1jgi h LEU 79 Cb 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1jgi h LEU 79 CO -0.04 0.59 -0.34 0.11 0.09 0.00 0.00 178.44 178.85 1jgi h LYS 80 N 0.15 0.00 -0.07 1.13 1.57 -0.42 -0.32 116.57 118.60 1jgi h LYS 80 Ca 0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 1jgi h LYS 80 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1jgi h LYS 80 CO 0.06 0.34 -0.68 -0.44 -0.57 0.00 0.00 179.45 178.17 1jgi h ASP 81 N 0.00 0.37 0.17 0.86 3.32 -0.68 -2.38 116.42 118.08 1jgi h ASP 81 Ca -0.00 -0.23 -0.15 0.00 0.02 0.00 0.00 57.03 56.66 1jgi h ASP 81 Cb 0.68 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1jgi h ASP 81 CO 0.04 0.94 -0.56 0.40 -1.72 0.00 0.00 179.24 178.34 1jgi h ILE 82 N 0.22 1.34 -0.42 0.35 1.08 -0.99 -1.76 117.51 117.34 1jgi h ILE 82 Ca -0.02 -1.85 0.03 0.00 -0.39 0.00 0.00 64.86 62.63 1jgi h ILE 82 Cb 1.23 1.86 -0.03 0.00 -3.07 0.00 0.00 36.82 36.80 1jgi h ILE 82 CO 0.11 0.56 0.23 0.44 -0.69 0.00 0.00 178.15 178.80 1jgi h ASP 83 N 0.32 0.35 -0.37 1.72 3.32 -0.82 0.15 116.42 121.08 1jgi h ASP 83 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1jgi h ASP 83 Cb 1.08 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1jgi h ASP 83 CO 0.10 0.25 0.01 0.40 -1.72 0.00 0.00 179.24 178.27 1jgi h ILE 84 N 0.46 1.26 -0.10 0.35 2.04 -1.26 -0.67 117.51 119.59 1jgi h ILE 84 Ca 0.18 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1jgi h ILE 84 Cb 0.06 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1jgi h ILE 84 CO -0.11 0.33 0.05 0.00 0.00 0.00 0.00 178.15 178.42 1jgi h ALA 85 N 0.88 0.13 -0.83 1.87 0.00 -1.00 -2.26 119.26 118.04 1jgi h ALA 85 Ca 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1jgi h ALA 85 Cb 0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1jgi h ALA 85 CO 0.02 -0.33 0.53 0.00 0.00 0.00 0.00 179.25 179.47 1jgi h ARG 86 N 0.07 1.01 -0.94 0.00 2.47 -0.66 0.76 114.38 117.09 1jgi h ARG 86 Ca 0.04 -0.06 0.07 0.00 -1.26 0.00 0.00 59.98 58.76 1jgi h ARG 86 Cb 0.08 -0.23 -0.06 0.00 -1.65 0.00 0.00 29.97 28.11 1jgi h ARG 86 CO -0.01 0.67 0.61 0.93 0.56 0.00 0.00 179.97 182.73 1jgi h GLU 87 N 1.04 1.04 0.00 0.04 5.08 -0.80 -2.09 114.58 118.89 1jgi h GLU 87 Ca 0.33 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1jgi h GLU 87 Cb 0.01 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1jgi h GLU 87 CO -0.11 0.69 -0.48 -0.91 -1.00 0.00 0.00 179.01 177.20 1jgi h ASN 88 N 1.08 0.00 -2.20 1.42 2.35 -0.74 -3.39 115.58 114.09 1jgi h ASN 88 Ca 0.41 -0.11 -0.58 0.00 -0.55 0.00 0.00 56.30 55.46 1jgi h ASN 88 Cb 0.20 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.16 1jgi h ASN 88 CO -0.16 0.06 -0.84 -3.20 -1.65 0.00 0.00 177.43 171.64 1jgi n ASN 89 N -2.34 1.79 0.27 5.81 5.15 0.18 -4.93 115.26 121.20 1jgi n ASN 89 Ca 0.03 -3.01 0.18 0.00 -0.60 0.00 0.00 54.58 51.18 1jgi n ASN 89 Cb 0.46 -0.65 0.75 0.00 -0.53 0.00 0.00 39.78 39.81 1jgi n ASN 89 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1jgi h PRO 90 N 4.34 0.00 -0.61 1.20 0.13 -1.74 -3.04 132.00 132.27 1jgi h PRO 90 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1jgi h PRO 90 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1jgi h PRO 90 CO 0.63 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 1jgi n ASP 91 N -3.00 3.29 0.27 1.44 9.92 -1.26 -4.28 116.55 122.93 1jgi n ASP 91 Ca 0.00 -2.31 0.10 0.00 -0.53 0.00 0.00 54.79 52.05 1jgi n ASP 91 Cb 0.26 -0.48 0.72 0.00 -0.64 0.00 0.00 41.12 40.98 1jgi n ASP 91 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1jgi h TRP 92 N 2.60 0.00 0.00 1.24 5.08 -1.92 0.44 115.95 123.39 1jgi h TRP 92 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1jgi h TRP 92 Cb 1.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 1jgi h TRP 92 CO 0.51 0.03 0.00 -0.84 -1.28 0.00 0.00 178.44 176.87 1jgi h ILE 93 N 0.00 0.00 -0.01 0.12 3.07 -1.87 -2.96 117.51 115.86 1jgi h ILE 93 Ca -0.00 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1jgi h ILE 93 Cb 0.06 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1jgi h ILE 93 CO 0.00 0.00 -0.50 0.18 -1.05 0.00 0.00 178.15 176.78 1jgi n LEU 94 N -2.68 1.09 -4.77 0.16 4.77 0.14 -4.35 117.00 111.37 1jgi n LEU 94 Ca 0.02 -0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.25 1jgi n LEU 94 Cb 0.30 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1jgi n LEU 94 CO 0.25 0.22 1.02 -0.55 -1.33 0.00 0.00 177.39 177.00 1jgi s SER 95 N -2.72 6.70 0.35 -1.43 0.15 -1.12 -1.83 113.70 113.80 1jgi s SER 95 Ca 0.17 2.73 0.26 0.00 0.70 0.00 0.00 55.95 59.81 1jgi s SER 95 Cb 0.18 -2.65 1.17 0.00 -1.71 0.00 0.00 66.02 63.02 1jgi s SER 95 CO 0.64 -0.60 1.80 -0.55 1.20 0.00 0.00 173.24 175.73 1jgi h ASN 96 N 3.56 0.00 0.43 5.45 -1.07 -1.87 -2.55 115.58 119.53 1jgi h ASN 96 Ca -0.49 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 55.84 1jgi h ASN 96 Cb 1.23 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.47 1jgi h ASN 96 CO 0.67 0.00 -0.19 0.11 0.07 0.00 0.00 177.43 178.09 1jgi h LYS 97 N 0.00 0.00 -6.56 4.14 1.57 -1.81 -3.31 116.57 110.61 1jgi h LYS 97 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1jgi h LYS 97 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1jgi h LYS 97 CO 0.00 0.19 0.52 -0.65 -0.57 0.00 0.00 179.45 178.94 1jgi s GLN 98 N -4.16 4.50 -0.13 3.15 -1.52 -0.96 -4.82 119.66 115.72 1jgi s GLN 98 Ca -0.02 1.74 -0.05 0.00 -1.95 0.00 0.00 55.36 55.08 1jgi s GLN 98 Cb 0.13 -3.32 0.06 0.00 -0.22 0.00 0.00 33.01 29.67 1jgi s GLN 98 CO 0.63 -0.11 0.27 0.08 -0.25 0.00 0.00 175.29 175.91 1jgi s VAL 99 N 0.49 -0.35 0.32 1.09 1.01 -1.26 -4.53 120.40 117.17 1jgi s VAL 99 Ca 0.54 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1jgi s VAL 99 Cb -0.29 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1jgi s VAL 99 CO 0.32 0.10 0.24 -0.83 0.00 0.00 0.00 175.10 174.93 1jgi s GLY 100 N 2.19 1.74 0.01 4.51 0.00 0.76 -0.90 107.32 115.63 1jgi s GLY 100 Ca -0.01 -1.65 -0.05 0.00 0.00 0.00 0.00 44.72 43.01 1jgi s GLY 100 CO -0.09 -1.59 0.09 -0.32 0.00 0.00 0.00 173.10 171.19 1jgi s GLY 101 N -3.93 0.10 0.00 0.20 0.00 0.53 -0.90 107.32 103.32 1jgi s GLY 101 Ca 0.39 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.85 1jgi s GLY 101 CO 0.25 -0.39 -0.07 0.54 0.00 0.00 0.00 173.10 173.43 1jgi s VAL 102 N -1.44 0.54 0.14 1.40 0.11 -0.46 -0.57 120.40 120.11 1jgi s VAL 102 Ca -0.15 -0.44 -0.24 0.00 -2.93 0.00 0.00 61.98 58.23 1jgi s VAL 102 Cb -0.08 -0.48 0.07 0.00 -1.53 0.00 0.00 36.38 34.36 1jgi s VAL 102 CO 0.01 0.05 0.61 0.00 -3.33 0.00 0.00 175.10 172.44 1jgi s TYR 104 N -3.49 3.59 0.18 0.00 1.51 -1.26 -2.42 117.35 115.46 1jgi s TYR 104 Ca -0.00 1.18 -0.13 0.00 -1.01 0.00 0.00 57.07 57.11 1jgi s TYR 104 Cb -0.01 -2.72 0.08 0.00 -0.11 0.00 0.00 41.96 39.21 1jgi s TYR 104 CO -0.11 0.16 1.82 0.28 -1.11 0.00 0.00 175.55 176.60 1jgi h VAL 105 N 4.61 1.17 -0.15 0.71 2.07 -1.93 0.13 116.25 122.87 1jgi h VAL 105 Ca -0.42 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1jgi h VAL 105 Cb 1.19 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1jgi h VAL 105 CO 0.74 0.17 -0.08 -2.24 0.02 0.00 0.00 177.57 176.18 1jgi h ASP 106 N 0.79 0.33 -0.17 0.57 2.03 -1.90 0.61 116.42 118.69 1jgi h ASP 106 Ca 0.21 -0.42 -0.14 0.00 -0.73 0.00 0.00 57.03 55.95 1jgi h ASP 106 Cb -0.04 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.36 1jgi h ASP 106 CO -0.04 0.68 -0.38 -0.07 -1.03 0.00 0.00 179.24 178.40 1jgi h LEU 107 N -0.02 0.74 0.14 0.15 3.38 -1.84 -1.02 115.31 116.83 1jgi h LEU 107 Ca 0.03 -0.33 -0.32 0.00 0.09 0.00 0.00 57.88 57.35 1jgi h LEU 107 Cb 0.56 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jgi h LEU 107 CO 0.02 1.04 -1.65 0.15 0.09 0.00 0.00 178.44 178.10 1jgi h PHE 108 N 0.58 0.52 0.00 1.13 3.57 -0.77 -0.40 116.94 121.57 1jgi h PHE 108 Ca 0.05 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1jgi h PHE 108 Cb 0.91 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1jgi h PHE 108 CO 0.04 1.49 -0.45 0.00 -2.23 0.00 0.00 178.31 177.16 1jgi n ALA 109 N -2.75 1.91 0.00 2.41 0.00 0.13 -4.55 120.51 117.67 1jgi n ALA 109 Ca -0.20 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1jgi n ALA 109 Cb 1.06 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1jgi n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgi n GLY 110 N -0.01 2.02 2.17 0.00 0.00 -0.39 -3.97 105.19 105.01 1jgi n GLY 110 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1jgi n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jgi n ASP 111 N 3.87 -0.85 -0.12 1.61 5.68 -1.25 -4.04 116.55 121.45 1jgi n ASP 111 Ca 0.00 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.06 1jgi n ASP 111 Cb 0.00 1.61 0.28 0.00 -1.14 0.00 0.00 41.12 41.87 1jgi n ASP 111 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1jgi h LEU 112 N 0.00 0.70 -0.56 -2.12 3.38 -1.28 0.66 115.31 116.10 1jgi h LEU 112 Ca -0.17 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1jgi h LEU 112 Cb 0.77 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1jgi h LEU 112 CO 0.24 0.58 -0.10 0.11 0.09 0.00 0.00 178.44 179.36 1jgi h LYS 113 N 0.79 1.05 -0.42 1.13 1.57 -1.91 -1.30 116.57 117.48 1jgi h LYS 113 Ca 0.20 -0.39 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1jgi h LYS 113 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1jgi h LYS 113 CO -0.03 1.08 -0.22 0.78 -0.57 0.00 0.00 179.45 180.49 1jgi h GLY 114 N 0.93 0.91 1.04 3.86 0.00 -1.60 -2.53 103.07 105.69 1jgi h GLY 114 Ca 0.14 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1jgi h GLY 114 CO 0.05 0.72 0.57 -2.00 0.00 0.00 0.00 176.54 175.88 1jgi h LEU 115 N 0.73 1.12 -1.30 3.11 7.12 -0.62 -1.22 115.31 124.26 1jgi h LEU 115 Ca 0.10 -0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.01 1jgi h LEU 115 Cb 0.76 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 1jgi h LEU 115 CO 0.06 0.86 0.12 0.50 -0.13 0.00 0.00 178.44 179.85 1jgi h LYS 116 N 1.30 0.60 0.00 1.25 3.64 -0.89 -0.52 116.57 121.95 1jgi h LYS 116 Ca 0.34 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1jgi h LYS 116 Cb -0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1jgi h LYS 116 CO -0.06 0.53 0.00 -0.25 -2.27 0.00 0.00 179.45 177.40 1jgi n ASP 117 N -4.34 0.09 -0.10 4.20 8.00 -0.49 -2.62 116.55 121.28 1jgi n ASP 117 Ca 0.03 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.16 1jgi n ASP 117 Cb 0.18 -0.54 0.21 0.00 -0.02 0.00 0.00 41.12 40.95 1jgi n ASP 117 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jgi n LYS 118 N -1.59 0.31 -0.29 -1.24 4.76 -0.21 -4.31 118.16 115.59 1jgi n LYS 118 Ca 0.05 -0.21 0.09 0.00 -2.87 0.00 0.00 58.31 55.37 1jgi n LYS 118 Cb 0.24 -1.50 0.32 0.00 -1.84 0.00 0.00 35.03 32.26 1jgi n LYS 118 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1jgi h ILE 119 N 0.50 0.90 -0.96 -0.18 2.04 -1.45 -0.53 117.51 117.82 1jgi h ILE 119 Ca 0.00 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.63 1jgi h ILE 119 Cb 0.52 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1jgi h ILE 119 CO 0.00 0.15 0.63 -0.65 0.00 0.00 0.00 178.15 178.28 1jgi h PRO 120 N 0.82 1.15 -0.43 2.37 0.11 -1.82 -0.01 132.00 134.19 1jgi h PRO 120 Ca 0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.47 1jgi h PRO 120 Cb 0.56 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1jgi h PRO 120 CO -0.21 0.76 0.19 -0.92 -0.21 0.00 0.00 178.00 177.61 1jgi h TYR 121 N 1.18 0.64 -0.97 0.65 3.20 -1.41 0.29 116.97 120.55 1jgi h TYR 121 Ca 0.39 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.32 1jgi h TYR 121 Cb 0.07 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.07 1jgi h TYR 121 CO -0.00 0.54 0.62 0.74 -1.64 0.00 0.00 178.16 178.42 1jgi h PHE 122 N 0.55 1.09 -0.35 -3.82 0.04 -0.61 0.17 116.94 114.01 1jgi h PHE 122 Ca 0.14 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 1jgi h PHE 122 Cb 0.16 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1jgi h PHE 122 CO -0.00 0.49 -0.25 1.96 -0.60 0.00 0.00 178.31 179.90 1jgi h GLN 123 N 1.00 0.80 -0.86 1.51 4.20 -0.53 -1.34 115.11 119.89 1jgi h GLN 123 Ca 0.45 -0.38 0.10 0.00 0.06 0.00 0.00 58.65 58.88 1jgi h GLN 123 Cb 0.39 -0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 1jgi h GLN 123 CO -0.21 1.01 0.50 1.49 -0.67 0.00 0.00 178.83 180.95 1jgi h GLU 124 N 0.58 0.80 0.00 1.46 4.81 0.88 -0.49 114.58 122.62 1jgi h GLU 124 Ca 0.07 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1jgi h GLU 124 Cb 0.82 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1jgi h GLU 124 CO 0.07 0.53 -0.45 1.25 -0.73 0.00 0.00 179.01 179.68 1jgi h LEU 125 N 0.82 0.00 0.00 1.64 5.85 -0.58 -3.47 115.31 119.57 1jgi h LEU 125 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1jgi h LEU 125 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1jgi h LEU 125 CO -0.25 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 178.90 1jgi n GLY 126 N 0.28 1.03 3.77 3.75 0.00 -0.19 -4.93 105.19 108.89 1jgi n GLY 126 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1jgi n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgi s LEU 127 N 0.00 4.20 0.00 0.99 1.43 -0.60 -4.65 118.68 120.04 1jgi s LEU 127 Ca 0.00 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 1jgi s LEU 127 Cb 0.00 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.35 1jgi s LEU 127 CO 0.00 -0.98 0.28 0.35 0.23 0.00 0.00 176.35 176.24 1jgi n THR 128 N 0.07 0.00 -3.69 5.49 -2.24 -0.08 -4.72 114.28 109.11 1jgi n THR 128 Ca 0.04 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.37 1jgi n THR 128 Cb 0.42 1.38 -0.15 0.00 -2.10 0.00 0.00 70.33 69.88 1jgi n THR 128 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jgi s TYR 129 N -0.03 -0.24 -0.18 4.78 6.14 -1.05 -1.38 117.35 125.39 1jgi s TYR 129 Ca 0.00 0.69 -0.00 0.00 0.64 0.00 0.00 57.07 58.39 1jgi s TYR 129 Cb 0.00 -0.15 0.04 0.00 0.42 0.00 0.00 41.96 42.27 1jgi s TYR 129 CO 0.00 -0.27 -0.06 -1.17 0.64 0.00 0.00 175.55 174.70 1jgi s LEU 130 N 2.02 1.77 -0.26 6.97 2.96 -0.48 -0.35 118.68 131.31 1jgi s LEU 130 Ca -0.01 -0.74 -0.11 0.00 -0.22 0.00 0.00 54.13 53.05 1jgi s LEU 130 Cb -0.12 -0.97 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 1jgi s LEU 130 CO -0.07 -0.19 0.18 -0.47 -1.32 0.00 0.00 176.35 174.49 1jgi s TYR 131 N 1.59 3.27 -0.15 5.38 6.04 0.26 -0.70 117.35 133.04 1jgi s TYR 131 Ca -0.00 0.19 -0.04 0.00 0.04 0.00 0.00 57.07 57.26 1jgi s TYR 131 Cb -0.16 -2.33 -0.03 0.00 -1.04 0.00 0.00 41.96 38.40 1jgi s TYR 131 CO -0.08 -0.04 -0.02 -0.51 -1.54 0.00 0.00 175.55 173.36 1jgi s LEU 132 N 1.39 3.36 0.93 6.97 1.43 0.33 -2.31 118.68 130.78 1jgi s LEU 132 Ca 0.08 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1jgi s LEU 132 Cb -0.15 -1.81 0.15 0.00 0.03 0.00 0.00 46.19 44.41 1jgi s LEU 132 CO 0.07 0.19 1.11 -0.04 0.23 0.00 0.00 176.35 177.91 1jgi s MET 133 N 0.25 0.92 -0.27 1.70 -1.94 -1.01 -4.30 119.30 114.66 1jgi s MET 133 Ca -0.02 1.25 -0.25 0.00 -1.71 0.00 0.00 55.69 54.97 1jgi s MET 133 Cb -0.14 -1.74 -0.11 0.00 2.01 0.00 0.00 34.83 34.86 1jgi s MET 133 CO 0.02 -2.60 0.91 -2.30 -0.01 0.00 0.00 175.02 171.05 1jgi n PRO 134 N -4.18 0.00 -0.00 2.03 -0.02 -1.26 -4.77 135.00 126.79 1jgi n PRO 134 Ca 0.09 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.61 1jgi n PRO 134 Cb 0.53 -0.80 -0.05 0.00 -0.02 0.00 0.00 33.50 33.16 1jgi n PRO 134 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jgi n LEU 135 N 2.50 0.39 -4.94 2.45 4.77 -1.26 -4.85 117.00 116.06 1jgi n LEU 135 Ca 0.19 -0.46 -0.24 0.00 -0.03 0.00 0.00 56.01 55.47 1jgi n LEU 135 Cb -0.03 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1jgi n LEU 135 CO 0.48 0.10 0.37 -0.36 -1.33 0.00 0.00 177.39 176.64 1jgi s PHE 136 N -1.90 3.18 0.25 -1.77 0.08 -1.26 0.15 117.98 116.70 1jgi s PHE 136 Ca 0.03 0.32 -0.29 0.00 0.12 0.00 0.00 56.93 57.11 1jgi s PHE 136 Cb 0.07 -2.50 -0.15 0.00 -0.57 0.00 0.00 43.02 39.86 1jgi s PHE 136 CO 0.37 -0.57 0.92 1.63 -0.10 0.00 0.00 175.22 177.46 1jgi n LYS 137 N -2.27 0.97 -3.74 0.44 5.02 0.89 -4.25 118.16 115.23 1jgi n LYS 137 Ca 0.03 0.34 -0.10 0.00 -2.02 0.00 0.00 58.31 56.57 1jgi n LYS 137 Cb 0.58 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 1jgi n LYS 137 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jgi n PRO 139 N -0.31 1.70 -2.43 0.00 -0.02 -1.26 -4.92 135.00 127.76 1jgi n PRO 139 Ca -0.11 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.62 1jgi n PRO 139 Cb 0.63 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 1jgi n PRO 139 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jgi s GLU 140 N -2.07 3.80 1.63 -0.52 2.02 -1.26 -4.25 118.70 118.05 1jgi s GLU 140 Ca 0.61 1.54 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1jgi s GLU 140 Cb -0.54 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1jgi s GLU 140 CO 0.58 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.81 1jgi n GLY 141 N 0.13 1.73 3.38 -1.39 0.00 -1.26 -4.79 105.19 102.99 1jgi n GLY 141 Ca 0.08 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1jgi n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgi s LYS 142 N 0.00 3.40 0.00 1.61 1.02 -1.26 -4.90 119.74 119.62 1jgi s LYS 142 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1jgi s LYS 142 Cb 0.00 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1jgi s LYS 142 CO 0.00 -0.27 0.92 -1.13 -0.92 0.00 0.00 175.35 173.94 1jgi n SER 143 N 4.87 0.00 -3.69 2.83 3.41 -1.26 -4.64 113.62 115.14 1jgi n SER 143 Ca -0.16 -1.83 -0.24 0.00 -0.26 0.00 0.00 58.87 56.38 1jgi n SER 143 Cb 0.50 -0.17 0.03 0.00 -0.26 0.00 0.00 64.21 64.32 1jgi n SER 143 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jgi n ASP 144 N 0.00 -2.51 -3.49 4.04 2.03 -1.26 -1.31 116.55 114.05 1jgi n ASP 144 Ca 0.00 -0.88 -0.26 0.00 0.52 0.00 0.00 54.79 54.17 1jgi n ASP 144 Cb 0.67 -3.87 0.02 0.00 -0.72 0.00 0.00 41.12 37.22 1jgi n ASP 144 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jgi n GLY 145 N -1.62 -0.50 1.66 0.27 0.00 -1.26 -1.27 105.19 102.46 1jgi n GLY 145 Ca -0.23 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1jgi n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgi n GLY 146 N -1.51 1.19 0.00 -0.02 0.00 -0.44 -4.61 105.19 99.79 1jgi n GLY 146 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1jgi n GLY 146 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jgi n TYR 147 N -2.00 0.00 -3.57 1.61 4.02 -0.40 -4.22 117.16 112.61 1jgi n TYR 147 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1jgi n TYR 147 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1jgi n TYR 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jgi s ALA 148 N -2.00 3.73 -0.13 -0.72 0.00 -0.45 -4.83 121.76 117.35 1jgi s ALA 148 Ca 0.28 -3.19 -0.26 0.00 0.00 0.00 0.00 51.96 48.79 1jgi s ALA 148 Cb 0.13 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.26 1jgi s ALA 148 CO 0.22 -2.14 0.84 0.08 0.00 0.00 0.00 175.76 174.76 1jgi s VAL 149 N 0.19 4.90 -1.23 0.00 1.01 -1.26 -4.07 120.40 119.93 1jgi s VAL 149 Ca 0.16 1.68 0.21 0.00 0.00 0.00 0.00 61.98 64.03 1jgi s VAL 149 Cb -0.18 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 31.88 1jgi s VAL 149 CO -0.05 0.07 0.93 -1.20 0.00 0.00 0.00 175.10 174.85 1jgi n SER 150 N 4.87 1.23 -3.64 3.32 7.64 -0.12 0.13 113.62 127.05 1jgi n SER 150 Ca 0.04 -1.12 -0.06 0.00 1.01 0.00 0.00 58.87 58.75 1jgi n SER 150 Cb 0.49 0.87 -0.07 0.00 -1.01 0.00 0.00 64.21 64.50 1jgi n SER 150 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jgi s SER 151 N -2.84 -0.52 0.00 6.43 0.15 -1.20 -4.24 113.70 111.47 1jgi s SER 151 Ca 0.10 0.89 0.26 0.00 0.70 0.00 0.00 55.95 57.91 1jgi s SER 151 Cb 0.16 1.09 0.73 0.00 -1.71 0.00 0.00 66.02 66.29 1jgi s SER 151 CO 0.79 -0.15 1.56 -1.22 1.20 0.00 0.00 173.24 175.42 1jgi n TYR 152 N 3.15 0.00 0.00 3.44 4.02 -1.26 -4.01 117.16 122.50 1jgi n TYR 152 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1jgi n TYR 152 Cb 0.57 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1jgi n TYR 152 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1jgi n ARG 153 N 0.08 1.70 -3.42 -0.72 1.74 -1.26 -4.91 116.66 109.86 1jgi n ARG 153 Ca 0.15 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.83 1jgi n ARG 153 Cb 0.40 -0.95 -0.09 0.00 -1.02 0.00 0.00 32.46 30.79 1jgi n ARG 153 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jgi s ASP 154 N -2.18 6.17 0.52 0.55 1.01 -1.26 -4.88 116.67 116.61 1jgi s ASP 154 Ca 0.00 -0.14 -0.22 0.00 0.71 0.00 0.00 52.55 52.91 1jgi s ASP 154 Cb 0.00 -2.19 -0.06 0.00 1.01 0.00 0.00 42.92 41.68 1jgi s ASP 154 CO 0.00 -0.29 1.24 -0.69 0.21 0.00 0.00 175.17 175.64 1jgi s VAL 155 N 2.00 2.65 0.01 -1.27 1.01 -1.26 -0.08 120.40 123.46 1jgi s VAL 155 Ca 0.12 0.47 -0.31 0.00 0.00 0.00 0.00 61.98 62.26 1jgi s VAL 155 Cb -0.16 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 1jgi s VAL 155 CO 0.11 -0.02 1.97 -3.20 0.00 0.00 0.00 175.10 173.96 1jgi n ASN 156 N -0.91 4.03 0.14 3.32 2.85 0.12 -4.33 115.26 120.49 1jgi n ASN 156 Ca 0.10 0.89 0.18 0.00 -0.11 0.00 0.00 54.58 55.64 1jgi n ASN 156 Cb 0.47 -1.50 0.77 0.00 1.24 0.00 0.00 39.78 40.76 1jgi n ASN 156 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1jgi h PRO 157 N 10.52 0.00 0.00 1.20 0.13 -1.89 0.52 132.00 142.47 1jgi h PRO 157 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1jgi h PRO 157 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jgi h PRO 157 CO 0.94 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.56 1jgi h ALA 158 N 1.71 1.02 0.00 -0.56 0.00 -1.97 -3.01 119.26 116.44 1jgi h ALA 158 Ca 0.14 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1jgi h ALA 158 Cb 0.72 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1jgi h ALA 158 CO -0.00 0.19 -1.63 1.28 0.00 0.00 0.00 179.25 179.09 1jgi n LEU 159 N -3.30 0.57 0.00 0.00 4.77 0.12 -4.75 117.00 114.41 1jgi n LEU 159 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1jgi n LEU 159 Cb 0.39 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1jgi n LEU 159 CO 0.31 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1jgi n GLY 160 N 1.40 0.81 3.66 -0.72 0.00 -0.88 -0.79 105.19 108.66 1jgi n GLY 160 Ca -0.11 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 1jgi n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgi s THR 161 N -3.32 2.90 0.54 2.61 -4.23 -1.26 -4.13 115.64 108.74 1jgi s THR 161 Ca 0.00 -1.90 0.21 0.00 -1.18 0.00 0.00 61.69 58.83 1jgi s THR 161 Cb 0.00 -2.84 0.31 0.00 1.34 0.00 0.00 72.50 71.31 1jgi s THR 161 CO 0.00 -0.24 2.15 -0.29 -0.54 0.00 0.00 174.62 175.70 1jgi h ILE 162 N 1.77 0.81 -0.24 2.99 6.09 -1.91 0.13 117.51 127.15 1jgi h ILE 162 Ca -0.43 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 62.95 1jgi h ILE 162 Cb 1.25 0.95 -0.01 0.00 0.47 0.00 0.00 36.82 39.48 1jgi h ILE 162 CO 0.64 0.00 -0.33 1.23 -3.07 0.00 0.00 178.15 176.63 1jgi h GLY 163 N 0.00 0.55 1.75 8.18 0.00 -1.99 -2.13 103.07 109.43 1jgi h GLY 163 Ca 0.04 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 1jgi h GLY 163 CO -0.00 0.45 -0.52 -0.55 0.00 0.00 0.00 176.54 175.92 1jgi h ASP 164 N 0.43 0.30 -0.58 0.19 3.32 -1.15 -2.87 116.42 116.06 1jgi h ASP 164 Ca 0.05 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 1jgi h ASP 164 Cb 0.78 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1jgi h ASP 164 CO 0.06 0.76 0.02 0.25 -1.72 0.00 0.00 179.24 178.62 1jgi h LEU 165 N 0.21 0.99 -0.86 1.55 5.85 -0.94 -1.09 115.31 121.03 1jgi h LEU 165 Ca 0.01 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 1jgi h LEU 165 Cb 0.99 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1jgi h LEU 165 CO 0.08 1.04 0.06 0.03 -0.34 0.00 0.00 178.44 179.31 1jgi h ARG 166 N 0.91 0.91 -0.51 1.25 3.08 -1.32 -0.86 114.38 117.83 1jgi h ARG 166 Ca 0.17 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1jgi h ARG 166 Cb 0.52 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1jgi h ARG 166 CO 0.03 0.87 -0.00 0.93 -1.07 0.00 0.00 179.97 180.72 1jgi h GLU 167 N 0.85 0.89 -0.05 0.04 5.08 -1.27 0.60 114.58 120.73 1jgi h GLU 167 Ca 0.17 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1jgi h GLU 167 Cb 0.42 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1jgi h GLU 167 CO 0.01 0.93 0.03 0.28 -1.00 0.00 0.00 179.01 179.26 1jgi h VAL 168 N 0.76 1.07 -0.81 3.13 2.07 -0.94 0.13 116.25 121.67 1jgi h VAL 168 Ca 0.14 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1jgi h VAL 168 Cb 0.52 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1jgi h VAL 168 CO 0.03 0.06 0.52 0.40 0.02 0.00 0.00 177.57 178.60 1jgi h ILE 169 N -0.00 1.15 -0.37 4.57 2.04 -1.03 0.20 117.51 124.08 1jgi h ILE 169 Ca 0.02 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1jgi h ILE 169 Cb 0.07 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1jgi h ILE 169 CO -0.00 0.19 0.08 0.00 0.00 0.00 0.00 178.15 178.42 1jgi h ALA 170 N 1.32 0.49 -0.58 1.87 0.00 -0.55 -1.36 119.26 120.45 1jgi h ALA 170 Ca 0.31 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1jgi h ALA 170 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1jgi h ALA 170 CO -0.10 0.17 0.11 0.00 0.00 0.00 0.00 179.25 179.43 1jgi h ALA 171 N 0.93 1.10 -0.25 0.00 0.00 -0.24 -0.51 119.26 120.29 1jgi h ALA 171 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1jgi h ALA 171 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jgi h ALA 171 CO 0.00 0.59 0.09 -0.07 0.00 0.00 0.00 179.25 179.87 1jgi h LEU 172 N 0.88 0.35 -1.43 0.00 3.38 -0.39 -0.98 115.31 117.12 1jgi h LEU 172 Ca 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jgi h LEU 172 Cb 0.36 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1jgi h LEU 172 CO 0.01 0.43 0.03 0.45 0.09 0.00 0.00 178.44 179.45 1jgi h HIS 173 N 0.24 0.41 -0.25 1.13 3.86 -0.98 0.19 115.15 119.75 1jgi h HIS 173 Ca 0.08 -0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 1jgi h HIS 173 Cb 0.20 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1jgi h HIS 173 CO -0.00 0.40 -0.28 1.49 0.86 0.00 0.00 177.93 180.39 1jgi h GLU 174 N 0.40 0.51 -0.46 2.45 4.57 -0.60 -2.54 114.58 118.92 1jgi h GLU 174 Ca 0.09 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1jgi h GLU 174 Cb 0.21 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1jgi h GLU 174 CO 0.00 0.74 0.00 0.00 -1.18 0.00 0.00 179.01 178.57 1jgi n ALA 175 N -2.49 2.63 -3.18 2.92 0.00 -0.42 -4.88 120.51 115.09 1jgi n ALA 175 Ca -0.01 -0.56 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 1jgi n ALA 175 Cb 0.43 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.93 1jgi n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgi n GLY 176 N 0.71 0.00 2.96 0.00 0.00 -0.96 -4.97 105.19 102.94 1jgi n GLY 176 Ca 0.10 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1jgi n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jgi s ILE 177 N -3.20 0.99 0.29 -0.61 1.01 0.59 -4.56 121.20 115.71 1jgi s ILE 177 Ca 0.36 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 1jgi s ILE 177 Cb -0.16 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.26 1jgi s ILE 177 CO 0.46 0.34 0.96 -0.44 0.00 0.00 0.00 174.94 176.26 1jgi s SER 178 N 1.08 7.42 -0.15 3.58 0.01 -0.48 -2.92 113.70 122.25 1jgi s SER 178 Ca -0.07 1.94 -0.16 0.00 1.31 0.00 0.00 55.95 58.97 1jgi s SER 178 Cb -0.14 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 1jgi s SER 178 CO -0.01 -0.01 0.37 0.00 0.41 0.00 0.00 173.24 174.00 1jgi s ALA 179 N -1.40 3.54 -0.07 1.44 0.00 -1.26 -1.38 121.76 122.64 1jgi s ALA 179 Ca 0.46 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.10 1jgi s ALA 179 Cb -0.23 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.39 1jgi s ALA 179 CO 0.29 0.03 -0.15 0.08 0.00 0.00 0.00 175.76 176.01 1jgi s VAL 180 N 0.58 1.35 0.16 0.00 1.01 0.12 -1.16 120.40 122.47 1jgi s VAL 180 Ca 0.20 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1jgi s VAL 180 Cb -0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1jgi s VAL 180 CO 0.06 0.40 0.10 0.68 0.00 0.00 0.00 175.10 176.34 1jgi s VAL 181 N 0.47 0.06 0.54 2.92 -7.23 -0.91 -0.51 120.40 115.74 1jgi s VAL 181 Ca -0.13 -1.93 -0.15 0.00 -1.81 0.00 0.00 61.98 57.97 1jgi s VAL 181 Cb -0.15 -2.22 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 1jgi s VAL 181 CO 0.04 -0.27 0.99 -1.81 -0.31 0.00 0.00 175.10 173.74 1jgi s ASP 182 N -3.09 6.51 -0.37 4.85 1.11 -1.26 -0.56 116.67 123.86 1jgi s ASP 182 Ca 0.30 1.50 0.00 0.00 0.18 0.00 0.00 52.55 54.53 1jgi s ASP 182 Cb 0.07 -2.49 0.13 0.00 1.07 0.00 0.00 42.92 41.70 1jgi s ASP 182 CO 0.06 -0.65 0.20 0.12 1.18 0.00 0.00 175.17 176.07 1jgi s PHE 183 N -2.76 1.25 -1.35 4.23 5.36 0.05 -4.73 117.98 120.02 1jgi s PHE 183 Ca 0.57 -1.86 -0.16 0.00 -0.96 0.00 0.00 56.93 54.53 1jgi s PHE 183 Cb -0.10 -1.35 0.07 0.00 -0.34 0.00 0.00 43.02 41.29 1jgi s PHE 183 CO 0.38 -0.82 1.91 -0.89 -1.46 0.00 0.00 175.22 174.34 1jgi n ILE 184 N 4.07 3.80 1.37 3.12 5.41 -1.26 -2.44 119.36 133.41 1jgi n ILE 184 Ca 0.08 -3.75 0.14 0.00 1.00 0.00 0.00 62.75 60.22 1jgi n ILE 184 Cb 0.37 -2.45 0.55 0.00 -0.71 0.00 0.00 39.64 37.40 1jgi n ILE 184 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1jgi n PHE 185 N 7.27 0.00 0.09 1.39 -1.74 -1.26 -3.89 117.46 119.32 1jgi n PHE 185 Ca 0.49 0.00 0.08 0.00 -0.56 0.00 0.00 57.45 57.46 1jgi n PHE 185 Cb 0.43 -0.17 -0.02 0.00 1.52 0.00 0.00 39.48 41.25 1jgi n PHE 185 CO 0.00 0.00 0.00 -0.97 -0.56 0.00 0.00 176.76 175.23 1jgi h ASN 186 N 0.75 0.00 -5.04 5.98 -0.73 -1.86 -3.45 115.58 111.24 1jgi h ASN 186 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 1jgi h ASN 186 Cb 0.40 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 38.87 1jgi h ASN 186 CO 0.00 0.17 0.09 -1.38 -0.37 0.00 0.00 177.43 175.94 1jgi s HIS 187 N -3.22 -0.37 0.35 0.67 -3.43 -1.25 -0.56 115.29 107.47 1jgi s HIS 187 Ca -0.01 0.10 0.04 0.00 -0.80 0.00 0.00 55.06 54.40 1jgi s HIS 187 Cb 0.09 0.43 -0.06 0.00 -1.43 0.00 0.00 32.58 31.61 1jgi s HIS 187 CO 0.79 -0.80 0.06 0.95 -2.00 0.00 0.00 174.74 173.73 1jgi s THR 188 N -3.78 1.24 0.75 -5.38 -4.23 -0.63 -4.69 115.64 98.91 1jgi s THR 188 Ca 0.03 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.42 1jgi s THR 188 Cb 0.00 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.13 1jgi s THR 188 CO -0.12 0.00 1.09 -0.94 -0.54 0.00 0.00 174.62 174.11 1jgi s SER 189 N -3.55 4.95 0.00 3.99 1.04 0.12 -0.11 113.70 120.14 1jgi s SER 189 Ca 0.34 1.33 0.18 0.00 0.48 0.00 0.00 55.95 58.28 1jgi s SER 189 Cb 0.08 -2.13 1.07 0.00 0.10 0.00 0.00 66.02 65.15 1jgi s SER 189 CO 0.15 -1.68 1.57 -0.46 0.98 0.00 0.00 173.24 173.81 1jgi n ASN 190 N -3.25 0.00 -0.60 7.02 6.94 -0.36 -2.43 115.26 122.58 1jgi n ASN 190 Ca 0.07 -1.09 0.08 0.00 -0.02 0.00 0.00 54.58 53.62 1jgi n ASN 190 Cb 0.56 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 38.04 1jgi n ASN 190 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jgi n GLU 191 N -0.84 1.20 -2.19 -3.83 1.02 -1.26 -4.48 120.64 110.26 1jgi n GLU 191 Ca 0.13 -1.39 -0.37 0.00 -0.02 0.00 0.00 57.16 55.52 1jgi n GLU 191 Cb 0.06 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1jgi n GLU 191 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1jgi s HIS 192 N -1.33 2.73 0.26 -0.32 2.46 -1.02 -4.84 115.29 113.23 1jgi s HIS 192 Ca 0.18 1.52 -0.01 0.00 0.47 0.00 0.00 55.06 57.21 1jgi s HIS 192 Cb 0.13 -3.41 0.50 0.00 -0.13 0.00 0.00 32.58 29.66 1jgi s HIS 192 CO 0.21 -1.73 1.80 1.49 -2.47 0.00 0.00 174.74 174.04 1jgi h GLU 193 N 1.71 0.78 -0.72 2.88 4.81 -1.92 -1.67 114.58 120.45 1jgi h GLU 193 Ca -0.50 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1jgi h GLU 193 Cb 1.26 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1jgi h GLU 193 CO 0.59 0.52 0.47 -1.49 -0.73 0.00 0.00 179.01 178.37 1jgi h TRP 194 N 0.81 0.90 -0.34 0.92 6.55 -1.93 -0.21 115.95 122.64 1jgi h TRP 194 Ca 0.45 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 60.28 1jgi h TRP 194 Cb 0.50 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.49 1jgi h TRP 194 CO -0.05 0.55 0.06 0.00 -1.05 0.00 0.00 178.44 177.96 1jgi h ALA 195 N 1.28 0.45 0.28 1.49 0.00 -1.64 0.76 119.26 121.87 1jgi h ALA 195 Ca 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jgi h ALA 195 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1jgi h ALA 195 CO -0.07 0.14 -0.14 1.96 0.00 0.00 0.00 179.25 181.14 1jgi h GLN 196 N 0.39 -0.37 -0.39 0.00 4.20 -1.01 -0.91 115.11 117.01 1jgi h GLN 196 Ca 0.10 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 1jgi h GLN 196 Cb 0.34 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1jgi h GLN 196 CO 0.01 -0.18 0.00 0.00 -0.67 0.00 0.00 178.83 177.99 1jgi h ARG 197 N -0.47 0.62 -0.07 1.46 3.08 -1.04 0.20 114.38 118.17 1jgi h ARG 197 Ca -0.04 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1jgi h ARG 197 Cb 0.35 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1jgi h ARG 197 CO 0.06 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.61 1jgi h ALA 199 N 0.74 1.26 0.00 0.00 0.00 -0.99 -2.12 119.26 118.15 1jgi h ALA 199 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jgi h ALA 199 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jgi h ALA 199 CO 0.00 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1jgi h ALA 200 N 1.43 1.00 0.00 0.00 0.00 -0.84 -3.46 119.26 117.40 1jgi h ALA 200 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jgi h ALA 200 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1jgi h ALA 200 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1jgi n GLY 201 N -0.06 0.85 3.68 0.00 0.00 -0.80 -5.03 105.19 103.83 1jgi n GLY 201 Ca 0.02 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1jgi n GLY 201 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jgi s ASP 202 N -2.11 6.51 0.62 1.61 -1.08 0.22 -4.85 116.67 117.59 1jgi s ASP 202 Ca 0.00 2.60 0.35 0.00 -0.52 0.00 0.00 52.55 54.97 1jgi s ASP 202 Cb 0.00 -2.55 1.98 0.00 -1.46 0.00 0.00 42.92 40.89 1jgi s ASP 202 CO 0.00 -0.98 2.23 1.55 0.52 0.00 0.00 175.17 178.49 1jgi h PRO 203 N 9.27 0.00 0.00 4.34 0.13 -1.95 -1.55 132.00 142.24 1jgi h PRO 203 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jgi h PRO 203 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jgi h PRO 203 CO 0.94 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.60 1jgi n LEU 204 N -3.49 0.44 -0.62 1.56 7.94 -1.26 -3.19 117.00 118.37 1jgi n LEU 204 Ca -0.02 0.57 0.06 0.00 -1.11 0.00 0.00 56.01 55.51 1jgi n LEU 204 Cb 0.16 -0.46 0.12 0.00 0.53 0.00 0.00 43.42 43.77 1jgi n LEU 204 CO 0.24 -0.25 0.34 0.49 -1.11 0.00 0.00 177.39 177.10 1jgi n PHE 205 N -1.94 0.00 -1.99 1.96 3.01 -0.59 -5.05 117.46 112.86 1jgi n PHE 205 Ca 0.05 -0.96 -0.41 0.00 1.01 0.00 0.00 57.45 57.14 1jgi n PHE 205 Cb 0.31 -0.18 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 1jgi n PHE 205 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jgi s ASP 206 N -2.58 6.63 -1.36 4.37 2.15 -1.16 -2.88 116.67 121.83 1jgi s ASP 206 Ca 0.30 2.68 -0.06 0.00 0.43 0.00 0.00 52.55 55.90 1jgi s ASP 206 Cb 0.30 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.30 1jgi s ASP 206 CO -0.05 -0.73 0.78 -3.20 -0.17 0.00 0.00 175.17 171.80 1jgi n ASN 207 N 2.49 -5.91 0.03 -0.34 5.15 -1.26 -4.89 115.26 110.53 1jgi n ASN 207 Ca 0.08 -0.36 0.12 0.00 -0.60 0.00 0.00 54.58 53.81 1jgi n ASN 207 Cb 0.40 -4.65 0.12 0.00 -0.53 0.00 0.00 39.78 35.12 1jgi n ASN 207 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jgi n PHE 208 N -4.59 0.27 -4.26 1.20 3.01 -1.14 -4.65 117.46 107.30 1jgi n PHE 208 Ca -0.06 0.08 -0.19 0.00 1.01 0.00 0.00 57.45 58.29 1jgi n PHE 208 Cb 0.59 -0.44 -0.07 0.00 -0.01 0.00 0.00 39.48 39.55 1jgi n PHE 208 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1jgi n TYR 209 N -1.86 -0.84 -3.57 1.38 4.02 -1.26 -0.37 117.16 114.65 1jgi n TYR 209 Ca 0.03 -2.72 -0.41 0.00 -0.01 0.00 0.00 57.90 54.80 1jgi n TYR 209 Cb 0.41 0.31 -0.09 0.00 -0.02 0.00 0.00 39.34 39.94 1jgi n TYR 209 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jgi s TYR 210 N -3.30 3.37 -0.11 -0.72 1.51 -1.25 -4.71 117.35 112.13 1jgi s TYR 210 Ca 0.38 -1.65 0.03 0.00 -1.01 0.00 0.00 57.07 54.82 1jgi s TYR 210 Cb 0.02 -3.20 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 1jgi s TYR 210 CO 0.27 -0.91 -0.22 0.42 -1.11 0.00 0.00 175.55 174.00 1jgi s ILE 211 N 1.41 2.20 0.13 2.71 1.01 -1.26 -1.07 121.20 126.32 1jgi s ILE 211 Ca 0.04 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.82 1jgi s ILE 211 Cb -0.24 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1jgi s ILE 211 CO 0.01 0.55 -0.18 -0.36 0.00 0.00 0.00 174.94 174.96 1jgi s PHE 212 N 0.47 2.52 0.29 3.97 0.08 0.22 -4.96 117.98 120.57 1jgi s PHE 212 Ca -0.15 -0.27 0.12 0.00 0.12 0.00 0.00 56.93 56.75 1jgi s PHE 212 Cb -0.17 -1.32 0.49 0.00 -0.57 0.00 0.00 43.02 41.45 1jgi s PHE 212 CO 0.06 0.40 1.68 -1.00 -0.10 0.00 0.00 175.22 176.26 1jgi h PRO 213 N 3.66 0.00 0.00 0.24 0.13 -1.94 0.15 132.00 134.24 1jgi h PRO 213 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1jgi h PRO 213 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1jgi h PRO 213 CO 0.46 0.53 0.00 -0.40 -0.23 0.00 0.00 178.00 178.36 1jgi n ASP 214 N -3.86 0.00 -0.58 1.44 5.68 -1.26 -4.47 116.55 113.50 1jgi n ASP 214 Ca -0.01 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.41 1jgi n ASP 214 Cb 0.55 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.96 1jgi n ASP 214 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jgi n ARG 215 N 0.00 1.80 0.17 0.11 5.12 -1.26 -4.53 116.66 118.07 1jgi n ARG 215 Ca 0.00 -1.16 -0.17 0.00 -1.93 0.00 0.00 57.85 54.59 1jgi n ARG 215 Cb 0.00 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 29.73 1jgi n ARG 215 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1jgi h ARG 216 N 2.81 -0.79 -0.14 5.56 2.43 -1.99 0.22 114.38 122.47 1jgi h ARG 216 Ca 0.00 0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 1jgi h ARG 216 Cb 0.60 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1jgi h ARG 216 CO 0.00 -0.53 -0.47 0.52 -1.51 0.00 0.00 179.97 177.98 1jgi h MET 217 N -0.82 0.57 -0.59 0.20 2.86 -2.00 -2.90 114.93 112.25 1jgi h MET 217 Ca -0.02 -0.42 0.09 0.00 -2.06 0.00 0.00 59.70 57.29 1jgi h MET 217 Cb 0.79 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 32.46 1jgi h MET 217 CO -0.22 1.04 0.21 -1.35 1.06 0.00 0.00 176.91 177.65 1jgi h PRO 218 N 0.20 0.37 -0.69 -0.22 0.11 -1.77 0.18 132.00 130.18 1jgi h PRO 218 Ca -0.02 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.13 1jgi h PRO 218 Cb 1.10 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 1jgi h PRO 218 CO 0.10 0.25 0.39 -0.44 -0.21 0.00 0.00 178.00 178.08 1jgi h ASP 219 N 0.38 0.57 -0.39 -2.05 5.19 -0.58 0.11 116.42 119.65 1jgi h ASP 219 Ca 0.29 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.70 1jgi h ASP 219 Cb 0.36 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1jgi h ASP 219 CO -0.30 0.36 0.11 1.56 -3.12 0.00 0.00 179.24 177.85 1jgi h GLN 220 N 0.70 0.61 -0.63 3.56 4.20 -0.91 -2.99 115.11 119.66 1jgi h GLN 220 Ca 0.31 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1jgi h GLN 220 Cb 0.21 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1jgi h GLN 220 CO -0.19 0.63 0.29 1.88 -0.67 0.00 0.00 178.83 180.76 1jgi h TYR 221 N 0.48 0.92 0.00 2.96 0.05 -0.08 -2.62 116.97 118.68 1jgi h TYR 221 Ca 0.12 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1jgi h TYR 221 Cb 0.28 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1jgi h TYR 221 CO 0.01 0.70 0.00 -0.44 -1.05 0.00 0.00 178.16 177.38 1jgi h ASP 222 N 0.86 0.00 0.04 3.88 3.32 -0.66 -1.88 116.42 121.98 1jgi h ASP 222 Ca 0.21 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1jgi h ASP 222 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1jgi h ASP 222 CO -0.02 0.00 -0.02 0.03 -1.72 0.00 0.00 179.24 177.51 1jgi h ARG 223 N 0.00 0.00 0.00 3.56 3.08 -1.36 -3.18 114.38 116.48 1jgi h ARG 223 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jgi h ARG 223 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1jgi h ARG 223 CO 0.00 0.02 -0.00 0.25 -1.07 0.00 0.00 179.97 179.17 1jgi n THR 224 N -4.07 0.58 -3.32 2.04 -2.24 -0.72 -5.06 114.28 101.48 1jgi n THR 224 Ca -0.03 -0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 60.79 1jgi n THR 224 Cb 0.11 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 1jgi n THR 224 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jgi s LEU 225 N -0.58 4.44 0.29 3.22 1.43 -1.09 -4.20 118.68 122.20 1jgi s LEU 225 Ca 0.00 1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 53.92 1jgi s LEU 225 Cb 0.00 -2.79 -0.09 0.00 0.03 0.00 0.00 46.19 43.33 1jgi s LEU 225 CO 0.00 0.19 0.92 -0.60 0.23 0.00 0.00 176.35 177.09 1jgi s ARG 226 N -0.53 4.61 -0.21 1.70 3.52 -1.26 -4.89 118.95 121.88 1jgi s ARG 226 Ca 0.28 1.31 -0.17 0.00 -0.13 0.00 0.00 55.73 57.01 1jgi s ARG 226 Cb -0.18 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1jgi s ARG 226 CO 0.16 0.35 0.48 -1.21 -0.81 0.00 0.00 175.30 174.26 1jgi s GLU 227 N -1.85 4.16 -0.14 5.12 2.02 -1.26 -4.84 118.70 121.92 1jgi s GLU 227 Ca 0.47 0.33 -0.14 0.00 0.02 0.00 0.00 54.97 55.65 1jgi s GLU 227 Cb -0.20 -3.57 -0.24 0.00 0.10 0.00 0.00 34.13 30.22 1jgi s GLU 227 CO 0.25 -0.15 0.38 0.82 0.02 0.00 0.00 175.26 176.58 1jgi h ILE 228 N 5.14 0.84 -2.18 -1.63 1.08 -1.87 -3.41 117.51 115.49 1jgi h ILE 228 Ca -0.34 -2.31 -0.58 0.00 -0.39 0.00 0.00 64.86 61.25 1jgi h ILE 228 Cb 1.15 2.48 -0.41 0.00 -3.07 0.00 0.00 36.82 36.97 1jgi h ILE 228 CO 0.73 0.66 -0.75 0.49 -0.69 0.00 0.00 178.15 178.59 1jgi n PHE 229 N -3.91 2.92 0.05 1.37 3.72 -1.26 -4.92 117.46 115.43 1jgi n PHE 229 Ca -0.30 -3.99 0.21 0.00 -0.05 0.00 0.00 57.45 53.33 1jgi n PHE 229 Cb 0.89 -0.49 0.68 0.00 -0.94 0.00 0.00 39.48 39.62 1jgi n PHE 229 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1jgi h PRO 230 N 3.55 0.00 -0.46 -1.08 0.13 -1.80 0.52 132.00 132.86 1jgi h PRO 230 Ca 0.15 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.21 1jgi h PRO 230 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1jgi h PRO 230 CO 0.75 0.00 0.03 -0.44 -0.23 0.00 0.00 178.00 178.11 1jgi h ASP 231 N 0.00 0.70 0.06 1.44 5.19 -1.91 -3.23 116.42 118.67 1jgi h ASP 231 Ca 0.24 -0.15 -0.16 0.00 -0.62 0.00 0.00 57.03 56.33 1jgi h ASP 231 Cb 1.44 -0.18 0.02 0.00 0.18 0.00 0.00 39.33 40.78 1jgi h ASP 231 CO -0.00 0.75 -0.68 1.56 -3.12 0.00 0.00 179.24 177.75 1jgi h GLN 232 N 0.70 0.36 -1.63 3.56 1.08 -0.36 -3.49 115.11 115.32 1jgi h GLN 232 Ca 0.14 -0.46 0.17 0.00 -1.45 0.00 0.00 58.65 57.05 1jgi h GLN 232 Cb 0.39 0.15 -0.20 0.00 -0.05 0.00 0.00 27.48 27.76 1jgi h GLN 232 CO 0.01 1.16 0.68 -3.38 -0.95 0.00 0.00 178.83 176.35 1jgi s HIS 233 N -2.88 -0.23 0.58 2.96 -3.43 -1.09 -4.96 115.29 106.24 1jgi s HIS 233 Ca -0.13 0.26 -0.09 0.00 -0.80 0.00 0.00 55.06 54.29 1jgi s HIS 233 Cb 0.02 0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 31.64 1jgi s HIS 233 CO 0.82 -0.30 0.95 -1.25 -2.00 0.00 0.00 174.74 172.96 1jgi s PRO 234 N -2.05 3.53 3.19 -0.38 0.04 -1.26 -4.21 135.00 133.86 1jgi s PRO 234 Ca 0.05 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1jgi s PRO 234 Cb -0.01 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1jgi s PRO 234 CO -0.04 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1jgi n GLY 235 N -2.60 0.98 0.41 0.56 0.00 -1.26 -4.14 105.19 99.14 1jgi n GLY 235 Ca 0.04 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.49 1jgi n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgi n GLY 236 N 0.00 4.77 3.13 -0.02 0.00 -1.26 -4.78 105.19 107.02 1jgi n GLY 236 Ca 0.00 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.67 1jgi n GLY 236 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jgi s PHE 237 N -2.89 0.98 0.07 1.61 0.40 -1.26 0.63 117.98 117.52 1jgi s PHE 237 Ca 0.34 -0.48 0.06 0.00 -0.60 0.00 0.00 56.93 56.25 1jgi s PHE 237 Cb 0.32 -0.56 -0.03 0.00 0.51 0.00 0.00 43.02 43.26 1jgi s PHE 237 CO -0.03 -0.00 -0.17 -1.12 0.70 0.00 0.00 175.22 174.60 1jgi s SER 238 N -1.70 2.03 -0.08 1.36 0.01 -0.52 -4.82 113.70 109.98 1jgi s SER 238 Ca -0.05 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.51 1jgi s SER 238 Cb -0.10 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 1jgi s SER 238 CO 0.01 0.02 0.29 -1.58 0.41 0.00 0.00 173.24 172.40 1jgi s GLN 239 N -1.54 3.85 0.76 12.44 0.74 -1.26 -0.67 119.66 133.98 1jgi s GLN 239 Ca 0.03 0.15 -0.10 0.00 0.05 0.00 0.00 55.36 55.48 1jgi s GLN 239 Cb -0.09 -3.27 0.06 0.00 1.10 0.00 0.00 33.01 30.82 1jgi s GLN 239 CO 0.02 0.60 1.12 -0.51 -0.55 0.00 0.00 175.29 175.97 1jgi s LEU 240 N -0.65 2.67 0.36 3.68 1.43 0.18 -4.95 118.68 121.39 1jgi s LEU 240 Ca 0.19 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 54.08 1jgi s LEU 240 Cb -0.14 -3.33 0.67 0.00 0.03 0.00 0.00 46.19 43.42 1jgi s LEU 240 CO 0.08 -1.72 1.93 -0.33 0.23 0.00 0.00 176.35 176.54 1jgi h GLU 241 N -0.85 0.55 0.00 1.70 5.08 -1.99 -1.88 114.58 117.19 1jgi h GLU 241 Ca -0.45 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1jgi h GLU 241 Cb 1.31 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1jgi h GLU 241 CO 0.64 0.50 0.00 -0.40 -1.00 0.00 0.00 179.01 178.75 1jgi n ASP 242 N -4.34 0.00 0.00 1.42 5.68 -1.26 -4.88 116.55 113.17 1jgi n ASP 242 Ca 0.02 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 1jgi n ASP 242 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1jgi n ASP 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jgi n GLY 243 N 0.64 2.64 3.78 6.12 0.00 -0.71 -5.07 105.19 112.59 1jgi n GLY 243 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1jgi n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jgi s ARG 244 N -0.95 1.81 -0.05 1.61 0.52 -1.26 -4.70 118.95 115.92 1jgi s ARG 244 Ca 0.00 0.63 0.07 0.00 -0.52 0.00 0.00 55.73 55.91 1jgi s ARG 244 Cb 0.00 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.57 1jgi s ARG 244 CO 0.00 -1.81 -0.25 -1.58 0.02 0.00 0.00 175.30 171.68 1jgi s TRP 245 N -3.12 2.38 0.07 -0.53 0.52 0.52 0.48 118.94 119.26 1jgi s TRP 245 Ca 0.62 -0.64 0.09 0.00 0.02 0.00 0.00 56.10 56.19 1jgi s TRP 245 Cb -0.15 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 1jgi s TRP 245 CO 0.55 -0.17 -0.23 0.54 0.02 0.00 0.00 176.95 177.65 1jgi s VAL 246 N -0.28 2.41 -0.08 4.03 0.11 0.16 0.69 120.40 127.45 1jgi s VAL 246 Ca 0.00 -1.43 -0.30 0.00 -2.93 0.00 0.00 61.98 57.32 1jgi s VAL 246 Cb -0.13 -2.01 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 1jgi s VAL 246 CO 0.02 0.27 1.45 0.86 -3.33 0.00 0.00 175.10 174.37 1jgi s TRP 247 N -0.93 2.52 -0.36 1.54 -0.11 -0.23 -1.43 118.94 119.93 1jgi s TRP 247 Ca 0.14 0.64 0.01 0.00 1.22 0.00 0.00 56.10 58.11 1jgi s TRP 247 Cb -0.10 -3.71 0.15 0.00 -1.50 0.00 0.00 33.47 28.31 1jgi s TRP 247 CO 0.05 -2.73 0.24 0.95 -4.62 0.00 0.00 176.95 170.83 1jgi s THR 248 N 3.40 0.13 0.37 5.86 -4.23 0.20 -1.98 115.64 119.39 1jgi s THR 248 Ca 0.64 -1.79 0.06 0.00 -1.18 0.00 0.00 61.69 59.42 1jgi s THR 248 Cb -0.29 -1.10 0.29 0.00 1.34 0.00 0.00 72.50 72.74 1jgi s THR 248 CO 0.24 -1.00 1.97 0.74 -0.54 0.00 0.00 174.62 176.03 1jgi h THR 249 N 4.96 1.03 0.00 3.99 2.02 -1.79 -3.36 112.91 119.76 1jgi h THR 249 Ca 0.09 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1jgi h THR 249 Cb 0.97 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1jgi h THR 249 CO 0.27 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.78 1jgi n PHE 250 N -4.47 0.00 -1.58 3.16 3.72 -1.26 -4.33 117.46 112.70 1jgi n PHE 250 Ca 0.10 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.17 1jgi n PHE 250 Cb 0.21 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.81 1jgi n PHE 250 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1jgi s ASN 251 N -0.47 4.77 0.62 4.37 0.01 -1.26 -4.80 114.94 118.17 1jgi s ASN 251 Ca 0.00 2.04 0.38 0.00 -0.71 0.00 0.00 52.86 54.57 1jgi s ASN 251 Cb 0.00 -2.55 2.07 0.00 0.41 0.00 0.00 41.25 41.18 1jgi s ASN 251 CO 0.00 -1.86 2.27 0.28 -1.51 0.00 0.00 177.10 176.28 1jgi h SER 252 N -0.29 0.00 -0.43 -1.22 0.02 -1.93 -1.15 113.55 108.54 1jgi h SER 252 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1jgi h SER 252 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1jgi h SER 252 CO 0.52 0.01 0.00 2.22 -1.14 0.00 0.00 176.83 178.45 1jgi n PHE 253 N -3.31 1.12 -4.01 3.45 1.16 -1.26 -4.70 117.46 109.92 1jgi n PHE 253 Ca -0.02 -0.43 -0.31 0.00 -1.87 0.00 0.00 57.45 54.81 1jgi n PHE 253 Cb 0.12 -0.23 -0.15 0.00 -1.61 0.00 0.00 39.48 37.61 1jgi n PHE 253 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1jgi s GLN 254 N -1.85 1.91 -0.20 3.97 -0.21 -0.44 -1.22 119.66 121.62 1jgi s GLN 254 Ca 0.36 -1.21 -0.14 0.00 0.02 0.00 0.00 55.36 54.38 1jgi s GLN 254 Cb 0.24 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1jgi s GLN 254 CO 0.15 -0.61 0.33 -1.58 -2.12 0.00 0.00 175.29 171.47 1jgi s TRP 255 N 1.23 3.39 0.00 0.91 0.52 0.84 -4.49 118.94 121.34 1jgi s TRP 255 Ca -0.06 0.54 -0.30 0.00 0.02 0.00 0.00 56.10 56.29 1jgi s TRP 255 Cb -0.19 -2.43 -0.06 0.00 -1.15 0.00 0.00 33.47 29.64 1jgi s TRP 255 CO -0.06 0.07 1.50 -0.51 0.02 0.00 0.00 176.95 177.97 1jgi s ASP 256 N 0.89 6.77 0.41 2.95 1.11 -0.84 -1.60 116.67 126.36 1jgi s ASP 256 Ca 0.16 2.20 -0.25 0.00 0.18 0.00 0.00 52.55 54.85 1jgi s ASP 256 Cb -0.14 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.21 1jgi s ASP 256 CO 0.06 -0.80 1.20 -0.76 1.18 0.00 0.00 175.17 176.06 1jgi s LEU 257 N 2.77 4.16 -1.03 1.23 1.43 0.27 -3.93 118.68 123.58 1jgi s LEU 257 Ca 0.67 2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 56.05 1jgi s LEU 257 Cb -0.33 -4.04 0.20 0.00 0.03 0.00 0.00 46.19 42.05 1jgi s LEU 257 CO 0.28 -0.78 1.13 0.21 0.23 0.00 0.00 176.35 177.42 1jgi s ASN 258 N -1.09 6.96 0.00 2.29 3.04 0.50 -4.86 114.94 121.78 1jgi s ASN 258 Ca 0.58 -2.84 0.15 0.00 0.04 0.00 0.00 52.86 50.80 1jgi s ASN 258 Cb -0.32 -2.31 0.91 0.00 -1.54 0.00 0.00 41.25 37.99 1jgi s ASN 258 CO 0.40 -0.67 1.34 -1.22 -3.04 0.00 0.00 177.10 173.91 1jgi n TYR 259 N 4.76 0.00 0.90 0.43 4.01 -1.26 -1.72 117.16 124.28 1jgi n TYR 259 Ca 0.25 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.12 1jgi n TYR 259 Cb 0.44 -0.02 0.55 0.00 -0.31 0.00 0.00 39.34 40.01 1jgi n TYR 259 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1jgi n SER 260 N -1.02 0.00 -4.47 7.72 3.41 -1.26 -4.39 113.62 113.60 1jgi n SER 260 Ca 0.11 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 1jgi n SER 260 Cb 0.06 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 1jgi n SER 260 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1jgi s ASN 261 N -2.98 6.07 0.58 4.04 3.84 -0.70 -4.96 114.94 120.83 1jgi s ASN 261 Ca 0.13 -0.77 0.28 0.00 0.21 0.00 0.00 52.86 52.71 1jgi s ASN 261 Cb 0.17 -2.15 1.55 0.00 -0.55 0.00 0.00 41.25 40.27 1jgi s ASN 261 CO 0.47 -0.38 2.01 1.55 -2.79 0.00 0.00 177.10 177.95 1jgi h PRO 262 N 8.58 0.00 0.00 0.43 0.13 -1.86 0.15 132.00 139.43 1jgi h PRO 262 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1jgi h PRO 262 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jgi h PRO 262 CO 0.70 0.00 -0.06 -1.49 -0.23 0.00 0.00 178.00 176.92 1jgi h TRP 263 N 0.00 0.00 -0.07 1.56 4.06 -1.92 -2.29 115.95 117.28 1jgi h TRP 263 Ca 0.16 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.88 1jgi h TRP 263 Cb 0.82 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.99 1jgi h TRP 263 CO 0.00 0.06 -0.87 0.28 -3.56 0.00 0.00 178.44 174.34 1jgi h VAL 264 N 0.00 1.31 -0.17 1.49 2.07 -0.95 -1.71 116.25 118.30 1jgi h VAL 264 Ca -0.00 -2.16 -0.01 0.00 0.82 0.00 0.00 66.70 65.35 1jgi h VAL 264 Cb 0.48 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1jgi h VAL 264 CO 0.01 0.67 0.06 0.15 0.02 0.00 0.00 177.57 178.47 1jgi h PHE 265 N 0.41 0.26 -0.32 1.57 3.04 -1.46 -1.38 116.94 119.06 1jgi h PHE 265 Ca -0.07 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.90 1jgi h PHE 265 Cb 1.50 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.89 1jgi h PHE 265 CO 0.08 0.34 0.08 -0.09 -2.02 0.00 0.00 178.31 176.70 1jgi h ARG 266 N 0.11 0.20 -0.62 1.11 1.12 -1.44 0.15 114.38 115.00 1jgi h ARG 266 Ca 0.05 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1jgi h ARG 266 Cb 0.19 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.08 1jgi h ARG 266 CO -0.00 0.13 0.40 0.00 -3.11 0.00 0.00 179.97 177.39 1jgi h ALA 267 N 1.23 0.78 0.00 2.80 0.00 -1.15 -1.25 119.26 121.68 1jgi h ALA 267 Ca 0.15 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1jgi h ALA 267 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jgi h ALA 267 CO -0.18 0.23 -0.58 0.52 0.00 0.00 0.00 179.25 179.23 1jgi h MET 268 N 0.84 0.00 -0.30 0.00 2.86 -0.83 -2.21 114.93 115.28 1jgi h MET 268 Ca 0.22 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.76 1jgi h MET 268 Cb -0.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1jgi h MET 268 CO -0.05 0.58 -0.26 0.00 1.06 0.00 0.00 176.91 178.25 1jgi h ALA 269 N 1.42 0.99 -0.66 6.32 0.00 -0.30 -0.51 119.26 126.51 1jgi h ALA 269 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1jgi h ALA 269 Cb 1.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1jgi h ALA 269 CO 0.08 0.60 0.29 0.78 0.00 0.00 0.00 179.25 180.99 1jgi h GLY 270 N 1.01 1.05 1.25 0.00 0.00 -0.77 -0.80 103.07 104.81 1jgi h GLY 270 Ca 0.07 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1jgi h GLY 270 CO 0.06 0.52 0.04 0.83 0.00 0.00 0.00 176.54 177.99 1jgi h GLU 271 N 0.93 0.91 -0.71 4.80 4.39 -0.99 -2.47 114.58 121.45 1jgi h GLU 271 Ca 0.22 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1jgi h GLU 271 Cb 0.17 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1jgi h GLU 271 CO -0.02 0.88 0.23 1.98 -1.16 0.00 0.00 179.01 180.92 1jgi h MET 272 N 0.85 1.10 -0.32 2.33 4.05 -0.56 -2.06 114.93 120.32 1jgi h MET 272 Ca 0.17 -0.23 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1jgi h MET 272 Cb 0.45 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1jgi h MET 272 CO 0.02 0.93 0.00 -0.07 0.23 0.00 0.00 176.91 178.02 1jgi h LEU 273 N 1.04 0.46 -0.04 3.39 3.38 -0.91 0.23 115.31 122.85 1jgi h LEU 273 Ca 0.23 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1jgi h LEU 273 Cb 0.29 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1jgi h LEU 273 CO -0.01 0.52 0.02 0.15 0.09 0.00 0.00 178.44 179.21 1jgi h PHE 274 N 0.47 0.06 -0.49 1.13 3.57 -0.96 -1.32 116.94 119.39 1jgi h PHE 274 Ca 0.10 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1jgi h PHE 274 Cb 0.31 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1jgi h PHE 274 CO 0.01 0.19 0.28 -0.07 -2.23 0.00 0.00 178.31 176.50 1jgi h LEU 275 N -0.09 0.60 -0.73 0.59 3.38 -0.96 -2.73 115.31 115.37 1jgi h LEU 275 Ca 0.01 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1jgi h LEU 275 Cb 0.16 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1jgi h LEU 275 CO -0.00 0.50 0.40 0.00 0.09 0.00 0.00 178.44 179.43 1jgi h ALA 276 N 1.13 1.00 0.00 1.53 0.00 -0.78 -0.72 119.26 121.43 1jgi h ALA 276 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jgi h ALA 276 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jgi h ALA 276 CO -0.03 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1jgi n ASN 277 N -4.80 0.00 0.06 0.00 4.13 -0.52 -1.73 115.26 112.40 1jgi n ASN 277 Ca 0.11 -0.38 0.13 0.00 1.68 0.00 0.00 54.58 56.12 1jgi n ASN 277 Cb 0.23 -0.15 0.39 0.00 -1.54 0.00 0.00 39.78 38.71 1jgi n ASN 277 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1jgi n LEU 278 N -1.15 0.55 0.00 3.41 4.77 -0.28 -4.82 117.00 119.49 1jgi n LEU 278 Ca 0.14 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1jgi n LEU 278 Cb 0.13 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1jgi n LEU 278 CO 0.16 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1jgi n GLY 279 N 1.38 1.05 3.76 -0.72 0.00 -0.71 -4.90 105.19 105.06 1jgi n GLY 279 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1jgi n GLY 279 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgi s VAL 280 N -2.00 2.40 -0.16 1.61 1.01 -1.23 -4.74 120.40 117.29 1jgi s VAL 280 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1jgi s VAL 280 Cb 0.00 -3.24 -0.23 0.00 0.00 0.00 0.00 36.38 32.91 1jgi s VAL 280 CO 0.00 0.08 0.19 0.47 0.00 0.00 0.00 175.10 175.84 1jgi n ASP 281 N 1.27 1.70 -3.89 3.32 8.00 -0.31 -4.58 116.55 122.06 1jgi n ASP 281 Ca 0.03 0.11 -0.15 0.00 0.71 0.00 0.00 54.79 55.49 1jgi n ASP 281 Cb 0.40 -0.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.93 1jgi n ASP 281 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jgi s ILE 282 N -2.55 0.20 -0.19 0.53 1.01 -1.12 -0.91 121.20 118.18 1jgi s ILE 282 Ca -0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1jgi s ILE 282 Cb 0.07 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.33 1jgi s ILE 282 CO 0.73 0.08 -0.05 -0.76 0.00 0.00 0.00 174.94 174.94 1jgi s LEU 283 N 0.20 3.00 -0.47 2.97 1.43 -0.36 -2.15 118.68 123.30 1jgi s LEU 283 Ca -0.02 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 52.52 1jgi s LEU 283 Cb -0.04 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.46 1jgi s LEU 283 CO -0.01 0.06 0.99 -0.60 0.23 0.00 0.00 176.35 177.02 1jgi s ARG 284 N 1.02 3.58 -0.77 1.70 3.52 0.28 -0.54 118.95 127.73 1jgi s ARG 284 Ca 0.01 0.27 -0.26 0.00 -0.13 0.00 0.00 55.73 55.62 1jgi s ARG 284 Cb -0.15 -3.92 0.02 0.00 -1.56 0.00 0.00 34.95 29.35 1jgi s ARG 284 CO 0.00 -1.27 1.40 -1.64 -0.81 0.00 0.00 175.30 172.98 1jgi s MET 285 N 3.96 3.16 0.00 5.12 -1.94 -0.49 -0.77 119.30 128.35 1jgi s MET 285 Ca 0.40 -0.28 -0.30 0.00 -1.71 0.00 0.00 55.69 53.80 1jgi s MET 285 Cb -0.09 -4.42 -0.06 0.00 2.01 0.00 0.00 34.83 32.27 1jgi s MET 285 CO 0.28 -2.27 1.43 0.34 -0.01 0.00 0.00 175.02 174.79 1jgi s ASP 286 N 4.62 6.82 -1.17 3.03 2.15 -1.02 -3.37 116.67 127.73 1jgi s ASP 286 Ca 0.42 2.14 -0.09 0.00 0.43 0.00 0.00 52.55 55.46 1jgi s ASP 286 Cb -0.07 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.96 1jgi s ASP 286 CO 0.11 -0.74 0.82 0.00 -0.17 0.00 0.00 175.17 175.18 1jgi n ALA 287 N 5.49 -2.33 0.26 3.66 0.00 -1.23 -4.11 120.51 122.24 1jgi n ALA 287 Ca 0.14 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1jgi n ALA 287 Cb 0.43 -3.87 0.66 0.00 0.00 0.00 0.00 19.45 16.67 1jgi n ALA 287 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1jgi h VAL 288 N -1.64 0.92 0.00 0.00 -1.51 -1.64 -2.87 116.25 109.51 1jgi h VAL 288 Ca -0.63 -0.21 -0.02 0.00 -1.23 0.00 0.00 66.70 64.61 1jgi h VAL 288 Cb 1.34 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1jgi h VAL 288 CO 0.50 0.06 -0.08 0.00 -1.23 0.00 0.00 177.57 176.81 1jgi h ALA 289 N 1.94 1.71 -0.02 5.19 0.00 -1.90 -3.20 119.26 122.99 1jgi h ALA 289 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jgi h ALA 289 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jgi h ALA 289 CO 0.01 0.10 -0.21 1.19 0.00 0.00 0.00 179.25 180.34 1jgi n PHE 290 N -4.22 0.00 0.46 0.00 3.72 -1.08 -0.57 117.46 115.77 1jgi n PHE 290 Ca -0.03 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.40 1jgi n PHE 290 Cb 0.16 -0.02 0.15 0.00 -0.94 0.00 0.00 39.48 38.83 1jgi n PHE 290 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1jgi n ILE 291 N 0.28 0.00 -3.78 4.37 -5.35 -1.21 -4.58 119.36 109.09 1jgi n ILE 291 Ca 0.13 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.48 1jgi n ILE 291 Cb 0.46 -0.74 -0.14 0.00 -1.74 0.00 0.00 39.64 37.48 1jgi n ILE 291 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1jgi s TRP 292 N -2.00 -0.15 0.18 4.28 -0.11 -1.26 -4.53 118.94 115.35 1jgi s TRP 292 Ca 0.08 0.41 0.10 0.00 1.22 0.00 0.00 56.10 57.91 1jgi s TRP 292 Cb 0.04 -0.03 -0.04 0.00 -1.50 0.00 0.00 33.47 31.93 1jgi s TRP 292 CO 0.06 -0.12 -0.16 0.15 -4.62 0.00 0.00 176.95 172.26 1jgi s LYS 293 N 0.69 1.81 -0.30 5.86 -0.14 -1.26 -4.36 119.74 122.04 1jgi s LYS 293 Ca -0.05 -1.36 -0.12 0.00 -1.36 0.00 0.00 55.97 53.08 1jgi s LYS 293 Cb -0.07 -2.03 0.13 0.00 -1.68 0.00 0.00 37.83 34.19 1jgi s LYS 293 CO -0.03 0.43 0.73 -1.14 -0.76 0.00 0.00 175.35 174.58 1jgi s GLN 294 N -2.68 0.52 0.20 1.68 2.00 -1.26 -5.05 119.66 115.07 1jgi s GLN 294 Ca 0.22 1.27 -0.32 0.00 -2.00 0.00 0.00 55.36 54.53 1jgi s GLN 294 Cb -0.09 0.71 -0.15 0.00 0.80 0.00 0.00 33.01 34.28 1jgi s GLN 294 CO 0.12 -0.17 1.11 -0.12 -0.50 0.00 0.00 175.29 175.73 1jgi n MET 295 N 5.22 1.17 -0.35 1.67 0.00 -1.26 -1.50 117.12 122.07 1jgi n MET 295 Ca -0.12 0.42 0.00 0.00 -0.00 0.00 0.00 57.70 57.99 1jgi n MET 295 Cb 0.51 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.85 1jgi n MET 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jgi n GLY 296 N 1.85 1.36 3.72 -5.12 0.00 -1.26 -5.03 105.19 100.71 1jgi n GLY 296 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1jgi n GLY 296 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgi s THR 297 N -3.00 2.09 -1.06 2.61 -4.23 -0.57 -5.00 115.64 106.48 1jgi s THR 297 Ca 0.00 -1.79 0.21 0.00 -1.18 0.00 0.00 61.69 58.93 1jgi s THR 297 Cb 0.00 -2.88 0.20 0.00 1.34 0.00 0.00 72.50 71.16 1jgi s THR 297 CO 0.00 0.00 1.67 -1.54 -0.54 0.00 0.00 174.62 174.21 1jgi n SER 298 N -1.20 0.00 -2.43 3.99 3.41 -1.26 -4.64 113.62 111.49 1jgi n SER 298 Ca -0.04 0.43 -0.20 0.00 -0.26 0.00 0.00 58.87 58.81 1jgi n SER 298 Cb 0.65 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 64.14 1jgi n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgi s GLU 300 N -5.22 0.50 -1.44 0.00 2.02 -1.26 -4.49 118.70 108.81 1jgi s GLU 300 Ca 0.11 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1jgi s GLU 300 Cb -0.05 -0.43 0.00 0.00 0.10 0.00 0.00 34.13 33.75 1jgi s GLU 300 CO 0.14 0.11 0.00 0.09 0.02 0.00 0.00 175.26 175.62 1jgi n ASN 301 N 2.47 -4.72 -4.79 -0.19 3.02 0.27 -4.96 115.26 106.36 1jgi n ASN 301 Ca -0.16 0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.20 1jgi n ASN 301 Cb 0.57 -4.02 0.01 0.00 -0.61 0.00 0.00 39.78 35.73 1jgi n ASN 301 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jgi s LEU 302 N -5.52 3.60 0.26 3.41 1.43 -1.26 -4.91 118.68 115.69 1jgi s LEU 302 Ca 0.00 1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 55.06 1jgi s LEU 302 Cb 0.00 -4.56 0.57 0.00 0.03 0.00 0.00 46.19 42.23 1jgi s LEU 302 CO 0.00 -1.23 1.66 -0.65 0.23 0.00 0.00 176.35 176.35 1jgi h PRO 303 N 0.75 0.20 -0.08 1.29 0.11 -1.98 -0.12 132.00 132.16 1jgi h PRO 303 Ca -0.48 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1jgi h PRO 303 Cb 1.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1jgi h PRO 303 CO 0.57 0.13 -0.12 1.96 -0.21 0.00 0.00 178.00 180.33 1jgi h GLN 304 N 0.20 0.13 -0.50 1.05 7.50 -1.94 -1.60 115.11 119.95 1jgi h GLN 304 Ca 0.48 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.59 1jgi h GLN 304 Cb 0.89 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.38 1jgi h GLN 304 CO -0.62 0.26 0.27 0.00 -1.50 0.00 0.00 178.83 177.24 1jgi h ALA 305 N 1.76 0.65 -0.39 3.87 0.00 -1.34 0.19 119.26 123.99 1jgi h ALA 305 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1jgi h ALA 305 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jgi h ALA 305 CO 0.02 0.18 0.03 0.45 0.00 0.00 0.00 179.25 179.92 1jgi h HIS 306 N 0.67 0.73 -0.43 0.00 3.86 -1.31 -2.48 115.15 116.18 1jgi h HIS 306 Ca 0.18 -0.12 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1jgi h HIS 306 Cb 0.07 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 1jgi h HIS 306 CO -0.01 0.74 0.21 0.00 0.86 0.00 0.00 177.93 179.72 1jgi h ALA 307 N 0.90 0.54 -0.76 2.45 0.00 -0.98 -0.27 119.26 121.14 1jgi h ALA 307 Ca 0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jgi h ALA 307 Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1jgi h ALA 307 CO 0.01 -0.15 0.35 -0.07 0.00 0.00 0.00 179.25 179.40 1jgi h LEU 308 N 0.42 0.99 -0.46 0.00 3.38 -0.90 -0.29 115.31 118.45 1jgi h LEU 308 Ca 0.19 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1jgi h LEU 308 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1jgi h LEU 308 CO -0.13 0.84 -0.21 0.40 0.09 0.00 0.00 178.44 179.43 1jgi h ILE 309 N 1.08 1.27 0.00 1.22 2.04 -1.00 -1.46 117.51 120.66 1jgi h ILE 309 Ca 0.26 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 1jgi h ILE 309 Cb 0.13 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1jgi h ILE 309 CO -0.03 0.47 -0.18 0.03 0.00 0.00 0.00 178.15 178.44 1jgi h ARG 310 N 0.81 0.00 -0.12 2.37 3.08 -0.53 -0.33 114.38 119.67 1jgi h ARG 310 Ca 0.10 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1jgi h ARG 310 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1jgi h ARG 310 CO 0.07 0.18 -0.24 0.00 -1.07 0.00 0.00 179.97 178.91 1jgi h ALA 311 N 1.82 0.18 -0.98 0.04 0.00 -0.53 -2.37 119.26 117.43 1jgi h ALA 311 Ca -0.00 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1jgi h ALA 311 Cb 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1jgi h ALA 311 CO 0.02 0.16 0.64 0.74 0.00 0.00 0.00 179.25 180.81 1jgi h PHE 312 N -0.06 1.21 -0.26 0.00 -1.00 -0.73 -1.93 116.94 114.16 1jgi h PHE 312 Ca 0.00 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.84 1jgi h PHE 312 Cb 0.83 -0.40 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 1jgi h PHE 312 CO 0.11 0.72 0.07 -0.97 -1.61 0.00 0.00 178.31 176.62 1jgi h ASN 313 N 1.27 0.05 -0.37 2.17 -1.24 -0.96 -2.02 115.58 114.48 1jgi h ASN 313 Ca 0.38 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.41 1jgi h ASN 313 Cb -0.06 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1jgi h ASN 313 CO -0.11 0.06 0.19 0.00 -1.29 0.00 0.00 177.43 176.29 1jgi h ALA 314 N 1.18 1.58 -0.71 1.57 0.00 -0.87 -1.58 119.26 120.43 1jgi h ALA 314 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jgi h ALA 314 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1jgi h ALA 314 CO -0.14 0.34 0.35 0.28 0.00 0.00 0.00 179.25 180.08 1jgi h VAL 315 N 0.57 1.22 -0.24 0.00 2.07 -0.64 -1.55 116.25 117.68 1jgi h VAL 315 Ca 0.14 -0.61 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 1jgi h VAL 315 Cb 0.07 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1jgi h VAL 315 CO -0.02 0.26 -0.43 0.24 0.02 0.00 0.00 177.57 177.64 1jgi h MET 316 N 1.00 0.71 -0.17 1.57 2.07 -0.98 0.14 114.93 119.27 1jgi h MET 316 Ca 0.25 -0.45 0.05 0.00 -2.07 0.00 0.00 59.70 57.48 1jgi h MET 316 Cb 0.09 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 1jgi h MET 316 CO -0.03 1.07 0.15 0.00 1.07 0.00 0.00 176.91 179.17 1jgi h ARG 317 N 0.43 0.00 0.01 1.72 2.47 -0.93 0.29 114.38 118.37 1jgi h ARG 317 Ca 0.01 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.49 1jgi h ARG 317 Cb 1.03 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.31 1jgi h ARG 317 CO 0.10 0.00 -1.36 -0.89 0.56 0.00 0.00 179.97 178.38 1jgi n ILE 318 N -4.03 1.55 0.88 2.04 5.41 -0.62 -4.48 119.36 120.11 1jgi n ILE 318 Ca 0.01 -0.07 0.10 0.00 1.00 0.00 0.00 62.75 63.79 1jgi n ILE 318 Cb 0.28 -2.02 -0.01 0.00 -0.71 0.00 0.00 39.64 37.17 1jgi n ILE 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jgi n ALA 319 N -3.44 3.49 -2.67 -1.39 0.00 0.47 -4.81 120.51 112.16 1jgi n ALA 319 Ca -0.33 -0.60 -0.04 0.00 0.00 0.00 0.00 53.44 52.47 1jgi n ALA 319 Cb 0.71 -0.70 0.06 0.00 0.00 0.00 0.00 19.45 19.52 1jgi n ALA 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgi n ALA 320 N -0.18 -3.48 0.03 0.00 0.00 0.80 -4.36 120.51 113.32 1jgi n ALA 320 Ca 0.08 -0.27 0.22 0.00 0.00 0.00 0.00 53.44 53.47 1jgi n ALA 320 Cb 0.40 -3.10 0.68 0.00 0.00 0.00 0.00 19.45 17.44 1jgi n ALA 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jgi h PRO 321 N 3.56 0.00 0.00 0.00 0.11 -1.21 -2.04 132.00 132.43 1jgi h PRO 321 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1jgi h PRO 321 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1jgi h PRO 321 CO -0.13 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.66 1jgi h ALA 322 N 1.29 1.00 -2.04 -0.75 0.00 -1.82 -3.44 119.26 113.50 1jgi h ALA 322 Ca 0.26 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.58 1jgi h ALA 322 Cb 1.48 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 1jgi h ALA 322 CO -0.00 0.00 0.68 0.08 0.00 0.00 0.00 179.25 180.01 1jgi s VAL 323 N -3.49 4.59 0.29 0.00 1.01 -0.77 -4.77 120.40 117.26 1jgi s VAL 323 Ca 0.03 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.55 1jgi s VAL 323 Cb 0.08 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1jgi s VAL 323 CO 0.54 -0.45 0.31 -0.36 0.00 0.00 0.00 175.10 175.14 1jgi s PHE 324 N 3.46 3.12 -0.02 5.22 0.40 -0.08 -4.90 117.98 125.18 1jgi s PHE 324 Ca 0.41 -0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 1jgi s PHE 324 Cb -0.12 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1jgi s PHE 324 CO 0.16 0.32 -0.07 -0.06 0.70 0.00 0.00 175.22 176.27 1jgi s PHE 325 N -2.16 2.90 -0.30 0.36 0.08 -1.26 -1.23 117.98 116.38 1jgi s PHE 325 Ca 0.37 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.41 1jgi s PHE 325 Cb -0.08 -1.64 0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1jgi s PHE 325 CO 0.27 0.36 -0.02 0.21 -0.10 0.00 0.00 175.22 175.94 1jgi s LYS 326 N -1.25 2.21 0.27 0.44 2.20 0.30 -2.73 119.74 121.17 1jgi s LYS 326 Ca 0.16 -1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 54.06 1jgi s LYS 326 Cb -0.11 -3.10 -0.10 0.00 -1.51 0.00 0.00 37.83 33.01 1jgi s LYS 326 CO 0.06 -0.67 1.32 0.45 -0.36 0.00 0.00 175.35 176.15 1jgi s SER 327 N 1.20 6.82 -0.47 1.43 0.15 0.47 -1.39 113.70 121.91 1jgi s SER 327 Ca -0.04 2.56 0.03 0.00 0.70 0.00 0.00 55.95 59.20 1jgi s SER 327 Cb -0.20 -2.63 0.14 0.00 -1.71 0.00 0.00 66.02 61.62 1jgi s SER 327 CO -0.04 -0.54 0.26 -1.58 1.20 0.00 0.00 173.24 172.54 1jgi s GLN 328 N -0.90 1.52 -0.25 5.44 -0.44 -1.22 -1.02 119.66 122.80 1jgi s GLN 328 Ca 0.53 -2.23 0.01 0.00 -2.50 0.00 0.00 55.36 51.18 1jgi s GLN 328 Cb -0.39 -2.64 0.06 0.00 -1.64 0.00 0.00 33.01 28.41 1jgi s GLN 328 CO 0.45 -1.15 -0.06 0.00 0.50 0.00 0.00 175.29 175.02 1jgi s ALA 329 N 0.10 2.16 -1.00 1.58 0.00 -1.26 -3.52 121.76 119.82 1jgi s ALA 329 Ca 0.18 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1jgi s ALA 329 Cb -0.24 -1.50 0.27 0.00 0.00 0.00 0.00 23.12 21.66 1jgi s ALA 329 CO -0.01 -1.22 1.12 -0.89 0.00 0.00 0.00 175.76 174.76 1jgi n ILE 330 N 4.59 4.22 -3.97 0.00 2.08 -1.26 -4.79 119.36 120.22 1jgi n ILE 330 Ca -0.12 -5.50 0.00 0.00 0.56 0.00 0.00 62.75 57.70 1jgi n ILE 330 Cb 0.43 -2.31 0.00 0.00 -0.75 0.00 0.00 39.64 37.02 1jgi n ILE 330 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1jgi n VAL 331 N 1.90 0.00 -1.65 1.39 0.24 -1.26 -5.06 118.33 113.89 1jgi n VAL 331 Ca 0.25 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.12 1jgi n VAL 331 Cb 0.37 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1jgi n VAL 331 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1jgi n HIS 332 N 0.00 1.79 -0.25 6.34 -0.00 -1.26 -4.64 115.22 117.20 1jgi n HIS 332 Ca 0.00 0.59 0.20 0.00 0.46 0.00 0.00 57.72 58.97 1jgi n HIS 332 Cb 0.00 -2.33 0.52 0.00 -0.12 0.00 0.00 29.99 28.06 1jgi n HIS 332 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1jgi h PRO 333 N 2.16 0.37 -0.08 1.57 0.11 -1.90 0.33 132.00 134.56 1jgi h PRO 333 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1jgi h PRO 333 Cb 1.31 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1jgi h PRO 333 CO 0.61 0.25 -0.19 -0.44 -0.21 0.00 0.00 178.00 178.01 1jgi h ASP 334 N 0.38 0.13 0.40 -2.05 3.32 -1.96 -3.05 116.42 113.59 1jgi h ASP 334 Ca 0.48 -0.03 -0.31 0.00 0.02 0.00 0.00 57.03 57.19 1jgi h ASP 334 Cb 1.24 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1jgi h ASP 334 CO -0.18 0.34 -1.67 1.56 -1.72 0.00 0.00 179.24 177.57 1jgi h GLN 335 N 0.13 0.18 -0.37 3.56 1.08 -1.33 -3.38 115.11 114.99 1jgi h GLN 335 Ca 0.02 -0.31 0.06 0.00 -1.45 0.00 0.00 58.65 56.98 1jgi h GLN 335 Cb 0.42 0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.91 1jgi h GLN 335 CO 0.03 0.98 0.01 0.28 -0.95 0.00 0.00 178.83 179.18 1jgi h VAL 336 N 0.05 0.74 0.00 -0.54 2.07 -1.10 -2.38 116.25 115.09 1jgi h VAL 336 Ca -0.29 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1jgi h VAL 336 Cb 2.01 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1jgi h VAL 336 CO 0.12 0.02 0.00 1.62 0.02 0.00 0.00 177.57 179.35 1jgi h VAL 337 N 0.12 0.00 0.00 2.57 3.04 -1.73 -3.04 116.25 117.21 1jgi h VAL 337 Ca 0.18 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 1jgi h VAL 337 Cb 0.24 1.31 -0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1jgi h VAL 337 CO -0.29 0.00 -0.11 1.56 -1.01 0.00 0.00 177.57 177.72 1jgi h GLN 338 N 0.00 0.00 0.00 4.17 4.20 -1.59 -2.71 115.11 119.19 1jgi h GLN 338 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jgi h GLN 338 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1jgi h GLN 338 CO 0.00 0.11 -0.04 1.88 -0.67 0.00 0.00 178.83 180.11 1jgi h TYR 339 N 0.00 0.00 -3.58 2.96 0.05 -1.65 -3.44 116.97 111.32 1jgi h TYR 339 Ca -0.00 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.16 1jgi h TYR 339 Cb 0.57 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.18 1jgi h TYR 339 CO 0.00 0.00 0.33 0.42 -1.05 0.00 0.00 178.16 177.86 1jgi s ILE 340 N -3.18 4.72 -0.05 -2.88 1.01 -1.02 -1.45 121.20 118.34 1jgi s ILE 340 Ca 0.08 0.63 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 1jgi s ILE 340 Cb 0.07 -4.24 0.10 0.00 0.01 0.00 0.00 42.46 38.40 1jgi s ILE 340 CO 0.65 -0.54 0.82 -0.83 0.00 0.00 0.00 174.94 175.04 1jgi s GLY 341 N 1.96 -0.46 0.44 6.18 0.00 -0.19 -4.87 107.32 110.38 1jgi s GLY 341 Ca 0.29 1.40 0.13 0.00 0.00 0.00 0.00 44.72 46.55 1jgi s GLY 341 CO 0.19 0.77 1.99 -1.61 0.00 0.00 0.00 173.10 174.44 1jgi h GLN 342 N 2.54 0.39 -0.24 2.90 4.15 -1.81 -1.56 115.11 121.47 1jgi h GLN 342 Ca -0.24 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1jgi h GLN 342 Cb 1.19 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1jgi h GLN 342 CO 0.35 0.26 0.00 -0.25 -1.93 0.00 0.00 178.83 177.25 1jgi n ASP 343 N -4.47 2.52 0.00 -0.69 8.00 -1.26 -4.67 116.55 115.98 1jgi n ASP 343 Ca 0.09 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.74 1jgi n ASP 343 Cb 0.33 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1jgi n ASP 343 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1jgi n GLU 344 N 0.89 0.00 -3.78 -1.24 2.13 -0.60 -4.40 120.64 113.63 1jgi n GLU 344 Ca 0.17 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.62 1jgi n GLU 344 Cb 0.47 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.05 1jgi n GLU 344 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jgi h GLN 346 N 8.19 0.00 -4.51 0.00 7.50 -1.47 -0.47 115.11 124.35 1jgi h GLN 346 Ca -0.27 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 58.68 1jgi h GLN 346 Cb 1.10 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 28.48 1jgi h GLN 346 CO 0.59 0.00 -0.66 0.96 -1.50 0.00 0.00 178.83 178.23 1jgi s ILE 347 N -5.04 0.30 -0.09 2.54 -4.36 -1.10 -1.47 121.20 111.97 1jgi s ILE 347 Ca -0.05 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.12 1jgi s ILE 347 Cb 0.17 -1.96 0.10 0.00 1.25 0.00 0.00 42.46 42.02 1jgi s ILE 347 CO 0.66 -0.58 0.84 -0.83 0.24 0.00 0.00 174.94 175.28 1jgi s GLY 348 N -3.06 -0.42 0.60 6.27 0.00 -1.06 -0.39 107.32 109.26 1jgi s GLY 348 Ca 0.21 1.62 -0.19 0.00 0.00 0.00 0.00 44.72 46.35 1jgi s GLY 348 CO 0.00 0.93 1.16 -1.72 0.00 0.00 0.00 173.10 173.47 1jgi n TYR 349 N 0.72 1.53 -3.37 1.90 4.02 -0.18 -0.97 117.16 120.80 1jgi n TYR 349 Ca -0.14 0.43 -0.33 0.00 -0.01 0.00 0.00 57.90 57.86 1jgi n TYR 349 Cb 0.58 -2.23 -0.06 0.00 -0.02 0.00 0.00 39.34 37.61 1jgi n TYR 349 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1jgi n ASN 350 N -1.15 4.53 0.24 7.72 5.15 -0.65 -4.73 115.26 126.36 1jgi n ASN 350 Ca 0.14 -3.38 0.07 0.00 -0.60 0.00 0.00 54.58 50.81 1jgi n ASN 350 Cb 0.47 -0.90 0.60 0.00 -0.53 0.00 0.00 39.78 39.42 1jgi n ASN 350 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1jgi h PRO 351 N 4.86 0.04 -0.17 1.20 0.13 -1.87 -2.69 132.00 133.49 1jgi h PRO 351 Ca 0.19 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1jgi h PRO 351 Cb 0.67 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1jgi h PRO 351 CO 0.97 0.06 0.10 1.25 -0.23 0.00 0.00 178.00 180.15 1jgi h LEU 352 N 0.04 0.21 -0.50 1.56 5.85 -1.90 0.18 115.31 120.74 1jgi h LEU 352 Ca 0.01 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1jgi h LEU 352 Cb 0.06 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1jgi h LEU 352 CO 0.00 0.23 0.12 -0.61 -0.34 0.00 0.00 178.44 177.84 1jgi h GLN 353 N 0.18 0.80 0.30 1.25 4.15 -1.90 -1.05 115.11 118.83 1jgi h GLN 353 Ca 0.06 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1jgi h GLN 353 Cb 0.06 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1jgi h GLN 353 CO -0.01 0.77 -0.14 1.98 -1.93 0.00 0.00 178.83 179.50 1jgi h MET 354 N 0.69 -0.38 -0.64 1.69 4.05 -1.28 -1.03 114.93 118.02 1jgi h MET 354 Ca 0.16 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1jgi h MET 354 Cb 0.33 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 1jgi h MET 354 CO 0.00 -0.22 0.38 0.00 0.23 0.00 0.00 176.91 177.31 1jgi h ALA 355 N 0.23 1.46 0.00 0.39 0.00 -0.61 -2.28 119.26 118.45 1jgi h ALA 355 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jgi h ALA 355 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jgi h ALA 355 CO 0.07 0.46 -0.05 -0.07 0.00 0.00 0.00 179.25 179.66 1jgi h LEU 356 N 0.89 0.00 -0.46 0.00 3.38 -1.00 -1.93 115.31 116.18 1jgi h LEU 356 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1jgi h LEU 356 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1jgi h LEU 356 CO -0.04 0.05 0.01 -0.07 0.09 0.00 0.00 178.44 178.48 1jgi h LEU 357 N 0.00 0.79 -0.45 1.67 3.38 -0.59 -1.11 115.31 119.00 1jgi h LEU 357 Ca -0.00 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.50 1jgi h LEU 357 Cb 0.88 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1jgi h LEU 357 CO 0.01 0.90 -0.50 -0.50 0.09 0.00 0.00 178.44 178.43 1jgi h TRP 358 N 0.66 0.89 -0.45 1.13 4.06 -1.44 -2.29 115.95 118.51 1jgi h TRP 358 Ca 0.13 -0.30 0.02 0.00 2.06 0.00 0.00 58.89 60.80 1jgi h TRP 358 Cb 0.49 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.44 1jgi h TRP 358 CO 0.04 1.07 0.26 -0.97 -3.56 0.00 0.00 178.44 175.28 1jgi h ASN 359 N 0.56 0.42 -0.64 -3.49 -1.24 -1.17 -2.47 115.58 107.55 1jgi h ASN 359 Ca 0.02 0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 1jgi h ASN 359 Cb 1.07 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.01 1jgi h ASN 359 CO 0.10 0.30 0.24 0.74 -1.29 0.00 0.00 177.43 177.53 1jgi h THR 360 N 0.53 1.24 -0.58 -3.57 2.02 -1.07 -0.72 112.91 110.76 1jgi h THR 360 Ca 0.18 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 1jgi h THR 360 Cb 0.02 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1jgi h THR 360 CO -0.09 0.31 0.25 -0.07 0.37 0.00 0.00 175.52 176.29 1jgi h LEU 361 N 0.98 0.75 -0.01 2.58 3.38 -1.01 0.57 115.31 122.54 1jgi h LEU 361 Ca 0.22 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1jgi h LEU 361 Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1jgi h LEU 361 CO -0.02 0.66 -0.20 0.00 0.09 0.00 0.00 178.44 178.98 1jgi h ALA 362 N 1.45 0.04 0.00 1.53 0.00 -1.00 -3.34 119.26 117.94 1jgi h ALA 362 Ca 0.20 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1jgi h ALA 362 Cb 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jgi h ALA 362 CO -0.02 0.05 -0.54 1.79 0.00 0.00 0.00 179.25 180.53 1jgi h THR 363 N -0.51 0.24 0.00 0.00 1.35 -1.12 -3.47 112.91 109.40 1jgi h THR 363 Ca -0.02 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1jgi h THR 363 Cb 0.94 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1jgi h THR 363 CO 0.04 0.14 0.00 0.54 -0.25 0.00 0.00 175.52 175.99 1jgi n ARG 364 N -2.99 -0.09 -4.43 4.72 3.00 0.20 -4.98 116.66 112.09 1jgi n ARG 364 Ca 0.01 0.02 -0.34 0.00 -0.01 0.00 0.00 57.85 57.54 1jgi n ARG 364 Cb 0.61 -3.39 -0.13 0.00 0.00 0.00 0.00 32.46 29.55 1jgi n ARG 364 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1jgi s GLU 365 N -0.46 3.50 0.00 5.56 2.02 -1.25 -4.25 118.70 123.82 1jgi s GLU 365 Ca 0.00 -0.61 0.17 0.00 0.02 0.00 0.00 54.97 54.55 1jgi s GLU 365 Cb 0.00 -2.83 0.80 0.00 0.10 0.00 0.00 34.13 32.20 1jgi s GLU 365 CO 0.00 0.13 1.54 1.33 0.02 0.00 0.00 175.26 178.28 1jgi n VAL 366 N 3.82 0.11 -0.21 2.63 0.24 -0.28 -4.53 118.33 120.11 1jgi n VAL 366 Ca -0.18 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1jgi n VAL 366 Cb 0.52 0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.87 1jgi n VAL 366 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jgi h ASN 367 N 0.93 -1.50 -0.57 -1.34 7.08 -1.95 0.33 115.58 118.55 1jgi h ASN 367 Ca 0.00 0.25 -0.09 0.00 -3.08 0.00 0.00 56.30 53.38 1jgi h ASN 367 Cb 0.20 0.68 -0.02 0.00 -2.08 0.00 0.00 38.32 37.11 1jgi h ASN 367 CO 0.00 -0.33 0.02 -0.07 -2.08 0.00 0.00 177.43 174.97 1jgi h LEU 368 N -0.22 0.99 -0.29 6.14 3.38 -1.97 -1.43 115.31 121.91 1jgi h LEU 368 Ca 0.18 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1jgi h LEU 368 Cb 0.56 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1jgi h LEU 368 CO -0.69 1.03 0.04 0.25 0.09 0.00 0.00 178.44 179.16 1jgi h LEU 369 N 0.94 0.46 -0.55 1.67 5.85 -1.67 -1.05 115.31 120.97 1jgi h LEU 369 Ca 0.17 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1jgi h LEU 369 Cb 0.51 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1jgi h LEU 369 CO 0.02 0.61 0.35 -0.74 -0.34 0.00 0.00 178.44 178.34 1jgi h HIS 370 N 0.30 0.65 -0.45 1.25 2.76 -0.25 0.85 115.15 120.26 1jgi h HIS 370 Ca 0.09 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.29 1jgi h HIS 370 Cb 0.35 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 1jgi h HIS 370 CO 0.02 0.39 0.28 0.37 -1.30 0.00 0.00 177.93 177.69 1jgi h GLN 371 N 0.70 0.54 -0.51 5.26 4.15 -1.10 0.17 115.11 124.32 1jgi h GLN 371 Ca 0.21 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 1jgi h GLN 371 Cb -0.03 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1jgi h GLN 371 CO -0.07 0.36 0.06 0.00 -1.93 0.00 0.00 178.83 177.25 1jgi h ALA 372 N 1.19 0.68 0.00 3.38 0.00 -0.68 -0.89 119.26 122.94 1jgi h ALA 372 Ca 0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1jgi h ALA 372 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1jgi h ALA 372 CO -0.07 0.43 -0.37 -0.07 0.00 0.00 0.00 179.25 179.17 1jgi h LEU 373 N 0.73 0.00 0.17 0.00 3.38 -0.54 0.74 115.31 119.79 1jgi h LEU 373 Ca 0.15 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.85 1jgi h LEU 373 Cb 0.43 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.21 1jgi h LEU 373 CO 0.01 0.37 -1.17 0.74 0.09 0.00 0.00 178.44 178.49 1jgi h THR 374 N 0.00 1.35 0.00 0.22 2.02 -0.69 -3.37 112.91 112.44 1jgi h THR 374 Ca -0.00 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1jgi h THR 374 Cb 0.69 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 1jgi h THR 374 CO 0.05 0.75 -1.18 -1.22 0.37 0.00 0.00 175.52 174.29 1jgi n TYR 375 N -3.89 0.00 -1.30 3.16 4.01 -0.36 -4.74 117.16 114.03 1jgi n TYR 375 Ca -0.15 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.66 1jgi n TYR 375 Cb 0.96 -0.17 0.10 0.00 -0.31 0.00 0.00 39.34 39.92 1jgi n TYR 375 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jgi n ARG 376 N -1.68 0.95 -0.12 -0.72 1.74 0.25 -4.86 116.66 112.23 1jgi n ARG 376 Ca -0.01 -2.13 -0.23 0.00 -0.77 0.00 0.00 57.85 54.71 1jgi n ARG 376 Cb 0.25 -1.22 -0.09 0.00 -1.02 0.00 0.00 32.46 30.38 1jgi n ARG 376 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1jgi n HIS 377 N -1.03 0.45 -1.75 -1.55 -0.00 -1.17 -4.95 115.22 105.21 1jgi n HIS 377 Ca 0.11 0.19 -0.42 0.00 0.46 0.00 0.00 57.72 58.07 1jgi n HIS 377 Cb 0.65 -0.97 -0.02 0.00 -0.12 0.00 0.00 29.99 29.54 1jgi n HIS 377 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1jgi s ASN 378 N -6.96 6.35 0.35 0.26 0.01 -1.26 -4.97 114.94 108.72 1jgi s ASN 378 Ca -0.32 2.96 0.09 0.00 -0.71 0.00 0.00 52.86 54.87 1jgi s ASN 378 Cb 0.09 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 39.06 1jgi s ASN 378 CO 0.50 -0.95 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.31 1jgi s LEU 379 N -0.11 2.75 0.84 0.60 1.43 -1.26 -5.13 118.68 117.79 1jgi s LEU 379 Ca 0.66 -1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1jgi s LEU 379 Cb -0.49 -0.97 0.10 0.00 0.03 0.00 0.00 46.19 44.86 1jgi s LEU 379 CO 0.44 -0.25 1.15 -2.84 0.23 0.00 0.00 176.35 175.08 1jgi s PRO 380 N -3.63 1.58 0.62 1.29 0.02 -1.26 -4.93 135.00 128.68 1jgi s PRO 380 Ca 0.33 1.51 -0.18 0.00 0.02 0.00 0.00 61.00 62.68 1jgi s PRO 380 Cb 0.04 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 1jgi s PRO 380 CO 0.17 -2.21 0.89 0.39 -0.33 0.00 0.00 177.00 175.90 1jgi n GLU 381 N -3.69 0.77 -2.44 5.54 1.02 -1.26 -3.04 120.64 117.54 1jgi n GLU 381 Ca 0.12 0.30 -0.20 0.00 -0.02 0.00 0.00 57.16 57.36 1jgi n GLU 381 Cb 0.52 -2.10 -0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1jgi n GLU 381 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1jgi n HIS 382 N -1.85 -1.04 -4.13 -0.32 8.25 -1.26 -4.58 115.22 110.29 1jgi n HIS 382 Ca 0.14 0.05 -0.09 0.00 -0.26 0.00 0.00 57.72 57.56 1jgi n HIS 382 Cb 0.48 -3.89 -0.10 0.00 1.12 0.00 0.00 29.99 27.60 1jgi n HIS 382 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1jgi s THR 383 N -3.01 0.16 0.11 1.59 -4.23 -1.17 -4.50 115.64 104.59 1jgi s THR 383 Ca 0.03 -1.87 -0.22 0.00 -1.18 0.00 0.00 61.69 58.44 1jgi s THR 383 Cb -0.01 -1.83 0.06 0.00 1.34 0.00 0.00 72.50 72.06 1jgi s THR 383 CO 0.04 -0.69 0.56 0.00 -0.54 0.00 0.00 174.62 173.99 1jgi s ALA 384 N -3.99 -1.45 0.39 3.99 0.00 -0.54 -4.87 121.76 115.28 1jgi s ALA 384 Ca 0.17 0.50 -0.05 0.00 0.00 0.00 0.00 51.96 52.57 1jgi s ALA 384 Cb 0.08 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.83 1jgi s ALA 384 CO -0.03 -0.66 0.69 -1.58 0.00 0.00 0.00 175.76 174.17 1jgi s TRP 385 N -3.28 3.51 -0.34 0.00 0.52 -1.26 -2.55 118.94 115.53 1jgi s TRP 385 Ca -0.01 0.75 -0.04 0.00 0.02 0.00 0.00 56.10 56.83 1jgi s TRP 385 Cb -0.00 -2.22 0.06 0.00 -1.15 0.00 0.00 33.47 30.16 1jgi s TRP 385 CO -0.09 -0.06 0.09 0.08 0.02 0.00 0.00 176.95 176.99 1jgi s VAL 386 N -2.42 3.36 -0.08 4.03 1.01 -0.14 -0.92 120.40 125.24 1jgi s VAL 386 Ca 0.46 -1.47 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1jgi s VAL 386 Cb -0.10 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1jgi s VAL 386 CO 0.37 -0.29 0.42 0.20 0.00 0.00 0.00 175.10 175.79 1jgi s ASN 387 N 1.48 6.69 0.19 3.32 0.01 -0.56 -1.64 114.94 124.44 1jgi s ASN 387 Ca -0.01 0.82 -0.07 0.00 -0.71 0.00 0.00 52.86 52.90 1jgi s ASN 387 Cb -0.21 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 1jgi s ASN 387 CO -0.01 0.16 0.26 -0.72 -1.51 0.00 0.00 177.10 175.28 1jgi s TYR 388 N -0.12 0.62 -0.19 2.20 1.13 -1.26 -0.73 117.35 118.99 1jgi s TYR 388 Ca 0.23 -0.95 -0.03 0.00 -1.41 0.00 0.00 57.07 54.91 1jgi s TYR 388 Cb -0.15 -0.17 -0.11 0.00 -1.10 0.00 0.00 41.96 40.43 1jgi s TYR 388 CO 0.10 -0.73 -0.19 0.28 -2.51 0.00 0.00 175.55 172.50 1jgi n VAL 389 N -0.25 1.05 -4.10 -3.49 0.31 -1.26 -4.33 118.33 106.27 1jgi n VAL 389 Ca -0.04 -0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 63.83 1jgi n VAL 389 Cb 0.63 -1.36 -0.07 0.00 -0.91 0.00 0.00 33.84 32.13 1jgi n VAL 389 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1jgi s ARG 390 N -2.36 1.45 0.08 5.55 1.81 -1.26 -4.95 118.95 119.27 1jgi s ARG 390 Ca -0.25 -1.48 -0.02 0.00 -1.72 0.00 0.00 55.73 52.26 1jgi s ARG 390 Cb 0.08 0.38 0.01 0.00 -0.45 0.00 0.00 34.95 34.97 1jgi s ARG 390 CO 0.39 -0.56 0.14 -1.13 -0.68 0.00 0.00 175.30 173.46 1jgi n SER 391 N -0.48 -0.40 0.02 0.23 3.41 -1.26 -4.46 113.62 110.69 1jgi n SER 391 Ca 0.00 -1.38 0.09 0.00 -0.26 0.00 0.00 58.87 57.32 1jgi n SER 391 Cb 0.63 0.69 0.38 0.00 -0.26 0.00 0.00 64.21 65.65 1jgi n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgi n HIS 392 N -0.12 0.14 -2.89 7.33 1.44 -1.26 -4.80 115.22 115.05 1jgi n HIS 392 Ca -0.01 0.05 -0.19 0.00 -2.01 0.00 0.00 57.72 55.56 1jgi n HIS 392 Cb 0.13 -0.58 0.03 0.00 0.12 0.00 0.00 29.99 29.69 1jgi n HIS 392 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1jgi s ASP 393 N -3.21 5.40 0.86 4.39 1.01 -1.26 -4.91 116.67 118.96 1jgi s ASP 393 Ca 0.08 -0.38 -0.12 0.00 0.71 0.00 0.00 52.55 52.84 1jgi s ASP 393 Cb 0.11 -0.53 0.11 0.00 1.01 0.00 0.00 42.92 43.61 1jgi s ASP 393 CO 0.33 -1.01 1.11 1.51 0.21 0.00 0.00 175.17 177.32 1jgi s ASP 394 N -4.44 3.90 -0.27 0.27 -4.77 -1.26 -4.91 116.67 105.19 1jgi s ASP 394 Ca 0.57 1.18 -0.11 0.00 -3.30 0.00 0.00 52.55 50.89 1jgi s ASP 394 Cb -0.09 -1.84 -0.05 0.00 -1.09 0.00 0.00 42.92 39.85 1jgi s ASP 394 CO 0.36 -2.33 0.19 -0.63 0.70 0.00 0.00 175.17 173.46 1jgi s ILE 395 N -3.17 5.31 -0.08 2.11 1.01 0.13 -4.88 121.20 121.62 1jgi s ILE 395 Ca 0.62 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 61.44 1jgi s ILE 395 Cb -0.15 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1jgi s ILE 395 CO 0.54 0.27 0.08 -0.83 0.00 0.00 0.00 174.94 175.00 1jgi s GLY 396 N 1.57 2.03 -1.36 6.18 0.00 -1.26 -1.92 107.32 112.55 1jgi s GLY 396 Ca 0.08 -0.74 -0.09 0.00 0.00 0.00 0.00 44.72 43.97 1jgi s GLY 396 CO 0.09 -0.52 2.25 0.79 0.00 0.00 0.00 173.10 175.72 1jgi n TRP 397 N 1.86 2.80 -0.03 1.90 7.02 -1.26 -4.78 117.44 124.96 1jgi n TRP 397 Ca -0.18 -2.86 -0.01 0.00 -1.02 0.00 0.00 57.50 53.43 1jgi n TRP 397 Cb 0.54 -2.05 0.00 0.00 -2.42 0.00 0.00 31.31 27.38 1jgi n TRP 397 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1jgi n THR 398 N 2.98 1.72 -1.89 -0.99 -2.24 -1.26 -4.90 114.28 107.70 1jgi n THR 398 Ca 0.55 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.62 1jgi n THR 398 Cb 0.31 -1.32 0.04 0.00 -2.10 0.00 0.00 70.33 67.26 1jgi n THR 398 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1jgi s PHE 399 N -0.12 3.39 -0.08 4.78 -0.12 -1.26 -4.23 117.98 120.35 1jgi s PHE 399 Ca 0.02 1.09 -0.25 0.00 -0.05 0.00 0.00 56.93 57.74 1jgi s PHE 399 Cb 0.02 -2.98 -0.03 0.00 -0.63 0.00 0.00 43.02 39.39 1jgi s PHE 399 CO 0.00 -1.06 0.79 0.00 -0.05 0.00 0.00 175.22 174.89 1jgi s ALA 400 N -3.31 3.34 0.36 1.99 0.00 -1.26 -4.88 121.76 118.00 1jgi s ALA 400 Ca 0.57 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.76 1jgi s ALA 400 Cb -0.11 -3.09 0.69 0.00 0.00 0.00 0.00 23.12 20.60 1jgi s ALA 400 CO 0.52 -0.25 2.02 -0.44 0.00 0.00 0.00 175.76 177.61 1jgi h ASP 401 N 6.90 0.66 -0.60 0.00 5.19 -1.97 -0.32 116.42 126.28 1jgi h ASP 401 Ca -0.38 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.96 1jgi h ASP 401 Cb 1.19 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 1jgi h ASP 401 CO 0.77 0.49 0.20 -0.33 -3.12 0.00 0.00 179.24 177.25 1jgi h GLU 402 N 0.77 0.92 -0.17 3.56 3.07 -1.96 0.30 114.58 121.08 1jgi h GLU 402 Ca 0.21 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1jgi h GLU 402 Cb -0.07 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 1jgi h GLU 402 CO -0.04 0.81 0.02 -0.44 -1.40 0.00 0.00 179.01 177.95 1jgi h ASP 403 N 0.84 0.28 -0.33 1.42 3.32 -1.72 -2.67 116.42 117.56 1jgi h ASP 403 Ca 0.19 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1jgi h ASP 403 Cb 0.26 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1jgi h ASP 403 CO -0.01 0.49 0.17 0.00 -1.72 0.00 0.00 179.24 178.17 1jgi h ALA 404 N 0.80 0.40 -1.01 3.45 0.00 -0.87 -2.20 119.26 119.83 1jgi h ALA 404 Ca 0.05 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.13 1jgi h ALA 404 Cb 0.34 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 1jgi h ALA 404 CO 0.01 -0.21 0.62 0.00 0.00 0.00 0.00 179.25 179.67 1jgi h ALA 405 N 1.17 1.61 0.00 0.00 0.00 -0.17 0.23 119.26 122.09 1jgi h ALA 405 Ca 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jgi h ALA 405 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jgi h ALA 405 CO -0.09 0.07 -0.08 -0.92 0.00 0.00 0.00 179.25 178.23 1jgi h TYR 406 N 0.86 0.00 -0.25 0.00 5.03 -1.04 0.45 116.97 122.02 1jgi h TYR 406 Ca 0.55 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.86 1jgi h TYR 406 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.01 1jgi h TYR 406 CO -0.00 0.08 0.00 1.28 -1.32 0.00 0.00 178.16 178.20 1jgi n LEU 407 N -3.78 2.56 -0.07 2.82 4.77 0.66 -4.92 117.00 119.04 1jgi n LEU 407 Ca -0.02 -1.07 -0.01 0.00 -0.03 0.00 0.00 56.01 54.88 1jgi n LEU 407 Cb 0.18 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1jgi n LEU 407 CO 0.30 0.53 -0.01 0.61 -1.33 0.00 0.00 177.39 177.49 1jgi n GLY 408 N 1.32 0.41 3.50 -0.72 0.00 0.15 -5.04 105.19 104.81 1jgi n GLY 408 Ca 0.17 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1jgi n GLY 408 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jgi s ILE 409 N -2.03 3.79 -0.38 -0.61 1.01 -0.41 -4.98 121.20 117.59 1jgi s ILE 409 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.00 1jgi s ILE 409 Cb 0.00 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1jgi s ILE 409 CO 0.00 0.52 0.86 -0.55 0.00 0.00 0.00 174.94 175.77 1jgi s SER 410 N 0.15 6.60 0.13 3.58 0.15 -1.26 -2.69 113.70 120.37 1jgi s SER 410 Ca -0.02 0.43 -0.29 0.00 0.70 0.00 0.00 55.95 56.76 1jgi s SER 410 Cb -0.14 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1jgi s SER 410 CO 0.03 -0.82 1.58 1.23 1.20 0.00 0.00 173.24 176.46 1jgi h GLY 411 N 9.97 -0.73 0.50 9.45 0.00 -1.93 0.72 103.07 121.05 1jgi h GLY 411 Ca -0.24 0.55 0.05 0.00 0.00 0.00 0.00 47.33 47.69 1jgi h GLY 411 CO 0.95 -0.21 -0.07 -1.82 0.00 0.00 0.00 176.54 175.39 1jgi h TYR 412 N -0.47 -0.16 -0.67 5.60 5.03 -1.99 -1.30 116.97 123.00 1jgi h TYR 412 Ca 0.08 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1jgi h TYR 412 Cb 0.63 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.98 1jgi h TYR 412 CO -0.53 -0.12 0.35 -0.44 -1.32 0.00 0.00 178.16 176.10 1jgi h ASP 413 N -0.02 0.85 -0.75 -2.11 3.32 -1.92 -2.56 116.42 113.22 1jgi h ASP 413 Ca 0.12 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1jgi h ASP 413 Cb 0.20 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1jgi h ASP 413 CO -0.26 0.72 0.36 -0.74 -1.72 0.00 0.00 179.24 177.60 1jgi h HIS 414 N 0.92 1.10 -0.28 4.55 2.76 -0.37 -2.16 115.15 121.67 1jgi h HIS 414 Ca 0.23 -0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1jgi h HIS 414 Cb 0.07 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 1jgi h HIS 414 CO -0.00 0.80 -0.30 0.00 -1.30 0.00 0.00 177.93 177.13 1jgi h ARG 415 N 1.09 0.59 -0.41 5.26 3.08 -1.09 -0.19 114.38 122.71 1jgi h ARG 415 Ca 0.26 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1jgi h ARG 415 Cb 0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1jgi h ARG 415 CO -0.03 0.82 0.22 1.96 -1.07 0.00 0.00 179.97 181.87 1jgi h GLN 416 N 0.51 0.43 0.42 0.04 1.08 -1.02 0.25 115.11 116.81 1jgi h GLN 416 Ca 0.06 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1jgi h GLN 416 Cb 0.77 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1jgi h GLN 416 CO 0.06 0.28 -0.20 0.35 -0.95 0.00 0.00 178.83 178.37 1jgi h PHE 417 N 0.44 -0.52 -0.60 2.96 3.57 -1.02 -1.02 116.94 120.75 1jgi h PHE 417 Ca 0.17 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.76 1jgi h PHE 417 Cb 0.06 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 1jgi h PHE 417 CO -0.09 -0.26 0.20 -0.07 -2.23 0.00 0.00 178.31 175.86 1jgi h LEU 418 N -0.68 0.18 -0.61 0.59 3.38 -0.75 0.31 115.31 117.73 1jgi h LEU 418 Ca -0.06 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1jgi h LEU 418 Cb 0.49 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1jgi h LEU 418 CO 0.09 0.11 0.20 0.78 0.09 0.00 0.00 178.44 179.71 1jgi h ASN 419 N 0.37 0.88 -0.08 -0.43 -0.26 -0.45 -0.81 115.58 114.79 1jgi h ASN 419 Ca 0.31 -0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1jgi h ASN 419 Cb 0.40 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.42 1jgi h ASN 419 CO -0.32 0.84 0.03 0.03 -1.06 0.00 0.00 177.43 176.95 1jgi h ARG 420 N 0.86 0.12 0.01 0.81 3.08 -0.32 -2.93 114.38 116.00 1jgi h ARG 420 Ca 0.20 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.25 1jgi h ARG 420 Cb 0.27 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 1jgi h ARG 420 CO -0.01 0.25 -0.16 0.35 -1.07 0.00 0.00 179.97 179.33 1jgi h PHE 421 N -0.04 -0.41 0.00 3.04 3.04 -0.16 0.13 116.94 122.54 1jgi h PHE 421 Ca 0.03 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1jgi h PHE 421 Cb 0.17 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1jgi h PHE 421 CO -0.02 -0.23 0.00 1.19 -2.02 0.00 0.00 178.31 177.23 1jgi n PHE 422 N -5.29 0.00 -0.82 0.41 3.72 -0.33 -2.11 117.46 113.04 1jgi n PHE 422 Ca -0.05 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.43 1jgi n PHE 422 Cb 0.21 -0.43 0.27 0.00 -0.94 0.00 0.00 39.48 38.59 1jgi n PHE 422 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1jgi n VAL 423 N -1.43 2.11 -3.54 -4.37 0.24 -1.09 -0.45 118.33 109.81 1jgi n VAL 423 Ca 0.06 -1.63 -0.20 0.00 -2.04 0.00 0.00 64.34 60.54 1jgi n VAL 423 Cb 0.21 -0.11 0.08 0.00 -1.47 0.00 0.00 33.84 32.55 1jgi n VAL 423 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1jgi n ASN 424 N -0.07 -3.13 -1.59 -1.34 5.15 -0.90 -4.72 115.26 108.67 1jgi n ASN 424 Ca 0.21 -0.64 -0.08 0.00 -0.60 0.00 0.00 54.58 53.47 1jgi n ASN 424 Cb 0.86 -4.88 0.09 0.00 -0.53 0.00 0.00 39.78 35.32 1jgi n ASN 424 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1jgi n ARG 425 N -4.40 2.32 -3.72 1.20 5.12 0.44 -4.98 116.66 112.63 1jgi n ARG 425 Ca -0.20 -3.58 -0.14 0.00 -1.93 0.00 0.00 57.85 52.00 1jgi n ARG 425 Cb 0.64 -1.74 -0.15 0.00 -1.16 0.00 0.00 32.46 30.05 1jgi n ARG 425 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1jgi s PHE 426 N -3.14 -0.18 -0.25 -1.55 5.36 -1.24 -4.67 117.98 112.31 1jgi s PHE 426 Ca 0.42 0.53 -0.41 0.00 -0.96 0.00 0.00 56.93 56.51 1jgi s PHE 426 Cb 0.38 -0.13 -0.17 0.00 -0.34 0.00 0.00 43.02 42.76 1jgi s PHE 426 CO -0.03 -0.20 1.58 -3.47 -1.46 0.00 0.00 175.22 171.64 1jgi n ASP 427 N 4.54 1.74 0.00 6.13 -0.08 -1.26 -1.34 116.55 126.28 1jgi n ASP 427 Ca -0.20 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 1jgi n ASP 427 Cb 0.51 -1.06 0.00 0.00 2.34 0.00 0.00 41.12 42.91 1jgi n ASP 427 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jgi n GLY 428 N 3.63 0.89 3.76 0.27 0.00 -1.26 -5.02 105.19 107.47 1jgi n GLY 428 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 1jgi n GLY 428 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jgi s SER 429 N -2.84 5.70 0.00 1.61 0.15 -0.45 -4.91 113.70 112.95 1jgi s SER 429 Ca 0.00 2.92 0.21 0.00 0.70 0.00 0.00 55.95 59.78 1jgi s SER 429 Cb 0.00 -2.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.58 1jgi s SER 429 CO 0.00 -1.30 1.00 2.22 1.20 0.00 0.00 173.24 176.36 1jgi n PHE 430 N -0.40 0.00 -2.91 3.44 1.16 -1.26 -4.97 117.46 112.52 1jgi n PHE 430 Ca 0.06 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.30 1jgi n PHE 430 Cb 0.42 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.23 1jgi n PHE 430 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jgi s ALA 431 N -2.59 3.20 -0.39 1.98 0.00 -1.25 -2.65 121.76 120.06 1jgi s ALA 431 Ca 0.14 0.34 0.12 0.00 0.00 0.00 0.00 51.96 52.57 1jgi s ALA 431 Cb 0.17 -3.04 0.41 0.00 0.00 0.00 0.00 23.12 20.65 1jgi s ALA 431 CO 0.65 0.21 0.93 0.54 0.00 0.00 0.00 175.76 178.09 1jgi n ARG 432 N 0.03 1.84 -1.88 0.00 5.12 -0.30 -3.80 116.66 117.66 1jgi n ARG 432 Ca 0.03 -3.74 -0.16 0.00 -1.93 0.00 0.00 57.85 52.05 1jgi n ARG 432 Cb 0.52 -1.69 0.09 0.00 -1.16 0.00 0.00 32.46 30.22 1jgi n ARG 432 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jgi n GLY 433 N -0.09 0.52 3.03 -0.13 0.00 0.41 -4.69 105.19 104.24 1jgi n GLY 433 Ca 0.22 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.09 1jgi n GLY 433 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jgi s VAL 434 N -2.08 0.66 0.71 1.61 -7.23 0.15 -4.42 120.40 109.80 1jgi s VAL 434 Ca 0.45 -0.57 -0.16 0.00 -1.81 0.00 0.00 61.98 59.89 1jgi s VAL 434 Cb -0.02 -0.60 0.03 0.00 0.56 0.00 0.00 36.38 36.35 1jgi s VAL 434 CO 0.30 0.03 1.24 -2.84 -0.31 0.00 0.00 175.10 173.53 1jgi s PRO 435 N -0.60 2.19 -0.12 4.82 0.02 -1.26 -0.35 135.00 139.71 1jgi s PRO 435 Ca 0.00 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 62.87 1jgi s PRO 435 Cb -0.05 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.70 1jgi s PRO 435 CO 0.00 -1.83 0.21 0.12 -0.33 0.00 0.00 177.00 175.17 1jgi s PHE 436 N -1.78 -0.29 -1.22 6.54 5.36 0.06 -4.68 117.98 121.97 1jgi s PHE 436 Ca 0.77 0.72 -0.01 0.00 -0.96 0.00 0.00 56.93 57.46 1jgi s PHE 436 Cb -0.32 -0.18 -0.00 0.00 -0.34 0.00 0.00 43.02 42.17 1jgi s PHE 436 CO 0.44 -0.34 0.89 1.04 -1.46 0.00 0.00 175.22 175.79 1jgi n GLN 437 N 5.34 -5.64 -2.08 10.12 1.13 -1.26 -0.61 117.38 124.38 1jgi n GLN 437 Ca -0.05 0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 55.35 1jgi n GLN 437 Cb 0.50 -5.60 -0.03 0.00 0.11 0.00 0.00 30.24 25.22 1jgi n GLN 437 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1jgi s TYR 438 N -3.47 2.63 -0.42 1.08 5.04 -1.26 -4.35 117.35 116.60 1jgi s TYR 438 Ca 0.04 0.57 -0.10 0.00 -2.44 0.00 0.00 57.07 55.15 1jgi s TYR 438 Cb -0.01 -3.81 0.08 0.00 0.35 0.00 0.00 41.96 38.57 1jgi s TYR 438 CO 0.76 -3.13 0.27 1.21 -1.34 0.00 0.00 175.55 173.32 1jgi s ASN 439 N 2.16 5.69 0.58 4.32 3.84 0.82 -4.90 114.94 127.46 1jgi s ASN 439 Ca 0.69 -1.46 0.27 0.00 0.21 0.00 0.00 52.86 52.57 1jgi s ASN 439 Cb -0.35 -2.01 1.59 0.00 -0.55 0.00 0.00 41.25 39.93 1jgi s ASN 439 CO 0.29 -0.54 2.08 1.55 -2.79 0.00 0.00 177.10 177.69 1jgi h PRO 440 N 8.44 0.00 0.00 0.43 0.13 -1.92 1.04 132.00 140.11 1jgi h PRO 440 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1jgi h PRO 440 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1jgi h PRO 440 CO 0.77 0.00 -0.45 -1.13 -0.23 0.00 0.00 178.00 176.96 1jgi n SER 441 N -3.92 0.52 0.00 1.44 3.41 -1.26 -4.27 113.62 109.55 1jgi n SER 441 Ca 0.03 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1jgi n SER 441 Cb 0.37 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1jgi n SER 441 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jgi n THR 442 N -1.78 0.00 -0.51 6.66 -2.24 -0.54 -5.01 114.28 110.86 1jgi n THR 442 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1jgi n THR 442 Cb 0.38 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1jgi n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgi n GLY 443 N 2.69 1.08 3.78 3.38 0.00 0.35 -5.03 105.19 111.44 1jgi n GLY 443 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jgi n GLY 443 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jgi s ASP 444 N -3.07 6.22 -0.14 1.61 -1.08 -1.23 -4.79 116.67 114.20 1jgi s ASP 444 Ca 0.00 2.08 -0.29 0.00 -0.52 0.00 0.00 52.55 53.82 1jgi s ASP 444 Cb 0.00 -2.58 0.09 0.00 -1.46 0.00 0.00 42.92 38.97 1jgi s ASP 444 CO 0.00 -0.87 0.78 0.00 0.52 0.00 0.00 175.17 175.60 1jgi s ARG 446 N -0.72 2.15 -0.04 0.00 3.00 0.22 -4.75 118.95 118.80 1jgi s ARG 446 Ca -0.06 -1.99 0.06 0.00 0.00 0.00 0.00 55.73 53.74 1jgi s ARG 446 Cb -0.02 -1.84 -0.01 0.00 0.00 0.00 0.00 34.95 33.08 1jgi s ARG 446 CO 0.05 -0.16 -0.23 0.08 0.00 0.00 0.00 175.30 175.04 1jgi s VAL 447 N -2.67 1.87 0.19 3.52 1.01 -0.81 -0.76 120.40 122.75 1jgi s VAL 447 Ca 0.35 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1jgi s VAL 447 Cb 0.05 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1jgi s VAL 447 CO 0.19 0.53 -0.07 -0.44 0.00 0.00 0.00 175.10 175.30 1jgi s SER 448 N -0.23 4.36 0.00 3.32 0.01 0.53 0.17 113.70 121.85 1jgi s SER 448 Ca -0.00 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1jgi s SER 448 Cb -0.12 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1jgi s SER 448 CO 0.02 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1jgi n GLY 449 N -0.07 4.78 3.81 3.44 0.00 -1.26 -0.67 105.19 115.21 1jgi n GLY 449 Ca -0.10 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 1jgi n GLY 449 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jgi s THR 450 N -1.67 3.17 0.21 2.61 -4.23 -1.26 -4.79 115.64 109.67 1jgi s THR 450 Ca 0.00 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 60.79 1jgi s THR 450 Cb 0.00 -3.12 0.15 0.00 1.34 0.00 0.00 72.50 70.87 1jgi s THR 450 CO 0.00 -0.50 1.72 0.00 -0.54 0.00 0.00 174.62 175.31 1jgi h ALA 451 N -1.05 0.74 -0.54 3.99 0.00 -1.95 -1.51 119.26 118.94 1jgi h ALA 451 Ca -0.47 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1jgi h ALA 451 Cb 1.26 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1jgi h ALA 451 CO 0.59 -0.25 0.09 0.00 0.00 0.00 0.00 179.25 179.67 1jgi h ALA 452 N 1.45 1.13 -0.29 0.00 0.00 -1.89 -2.22 119.26 117.43 1jgi h ALA 452 Ca 0.31 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1jgi h ALA 452 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jgi h ALA 452 CO -0.35 0.57 -0.30 0.00 0.00 0.00 0.00 179.25 179.17 1jgi h ALA 453 N 1.27 0.93 0.00 0.00 0.00 -1.61 0.21 119.26 120.06 1jgi h ALA 453 Ca 0.17 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1jgi h ALA 453 Cb 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jgi h ALA 453 CO 0.01 0.62 -0.23 -0.07 0.00 0.00 0.00 179.25 179.57 1jgi h LEU 454 N 0.52 0.00 -0.83 0.00 3.38 -1.02 -0.78 115.31 116.59 1jgi h LEU 454 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jgi h LEU 454 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1jgi h LEU 454 CO 0.06 0.23 -0.30 1.33 0.09 0.00 0.00 178.44 179.85 1jgi n VAL 455 N -3.21 0.00 -0.20 1.22 0.24 -0.86 -3.83 118.33 111.70 1jgi n VAL 455 Ca 0.02 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1jgi n VAL 455 Cb 0.56 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1jgi n VAL 455 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jgi n GLY 456 N 1.36 0.88 0.16 7.63 0.00 -1.03 -4.23 105.19 109.95 1jgi n GLY 456 Ca 0.12 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1jgi n GLY 456 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jgi h LEU 457 N 0.00 0.00 -1.38 0.99 5.85 -1.21 0.43 115.31 119.99 1jgi h LEU 457 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1jgi h LEU 457 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1jgi h LEU 457 CO 0.00 0.49 0.45 0.00 -0.34 0.00 0.00 178.44 179.04 1jgi h ALA 458 N 1.51 1.65 -0.54 1.25 0.00 -1.86 -0.77 119.26 120.51 1jgi h ALA 458 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jgi h ALA 458 Cb 1.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1jgi h ALA 458 CO 0.06 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1jgi n GLN 459 N -4.46 4.32 -3.76 0.00 0.00 -1.19 -4.95 117.38 107.35 1jgi n GLN 459 Ca 0.09 -3.04 -0.27 0.00 0.00 0.00 0.00 57.00 53.78 1jgi n GLN 459 Cb 0.15 -2.11 0.05 0.00 0.00 0.00 0.00 30.24 28.34 1jgi n GLN 459 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1jgi n ASP 460 N 0.55 -5.15 -4.67 2.61 8.00 -0.29 -4.90 116.55 112.69 1jgi n ASP 460 Ca 0.26 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.66 1jgi n ASP 460 Cb 1.08 -4.41 -0.03 0.00 -0.02 0.00 0.00 41.12 37.73 1jgi n ASP 460 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jgi s ASP 461 N -3.41 6.48 0.50 -2.24 -1.08 0.13 -4.82 116.67 112.22 1jgi s ASP 461 Ca 0.57 2.63 0.26 0.00 -0.52 0.00 0.00 52.55 55.50 1jgi s ASP 461 Cb -0.27 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.08 1jgi s ASP 461 CO 0.78 -1.01 1.78 1.55 0.52 0.00 0.00 175.17 178.80 1jgi h PRO 462 N 9.61 0.00 0.00 4.34 0.13 -1.90 0.46 132.00 144.64 1jgi h PRO 462 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1jgi h PRO 462 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jgi h PRO 462 CO 0.94 0.00 -0.72 0.72 -0.23 0.00 0.00 178.00 178.71 1jgi n HIS 463 N -2.56 0.00 -0.08 1.56 8.25 -1.26 -4.52 115.22 116.61 1jgi n HIS 463 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1jgi n HIS 463 Cb 0.23 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.19 1jgi n HIS 463 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jgi h ALA 464 N 2.99 0.05 -0.28 -1.41 0.00 -1.07 -1.24 119.26 118.30 1jgi h ALA 464 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1jgi h ALA 464 Cb 0.50 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1jgi h ALA 464 CO 0.00 -0.57 0.05 0.28 0.00 0.00 0.00 179.25 179.01 1jgi h VAL 465 N -0.14 0.85 -0.06 0.00 2.07 -1.79 -2.30 116.25 114.88 1jgi h VAL 465 Ca 0.16 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.56 1jgi h VAL 465 Cb 0.38 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1jgi h VAL 465 CO -0.39 0.03 -0.29 0.44 0.02 0.00 0.00 177.57 177.37 1jgi h ASP 466 N 0.15 0.10 -0.43 0.57 3.32 -1.77 -2.65 116.42 115.70 1jgi h ASP 466 Ca 0.13 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1jgi h ASP 466 Cb 0.14 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1jgi h ASP 466 CO -0.18 0.39 0.17 0.03 -1.72 0.00 0.00 179.24 177.93 1jgi h ARG 467 N 0.09 0.64 -0.72 3.56 3.08 -0.71 -1.55 114.38 118.76 1jgi h ARG 467 Ca 0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1jgi h ARG 467 Cb 0.57 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1jgi h ARG 467 CO 0.04 0.59 0.45 0.82 -1.07 0.00 0.00 179.97 180.80 1jgi h ILE 468 N 0.55 1.20 -0.65 2.04 2.04 -1.12 -1.80 117.51 119.77 1jgi h ILE 468 Ca 0.14 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.51 1jgi h ILE 468 Cb 0.19 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1jgi h ILE 468 CO -0.01 0.20 0.14 0.11 0.00 0.00 0.00 178.15 178.60 1jgi h LYS 469 N 0.98 1.04 0.03 2.37 1.57 -1.26 -2.10 116.57 119.22 1jgi h LYS 469 Ca 0.26 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jgi h LYS 469 Cb -0.06 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1jgi h LYS 469 CO -0.05 0.94 -0.02 1.25 -0.57 0.00 0.00 179.45 181.00 1jgi h LEU 470 N 0.99 -0.04 0.40 2.94 5.85 -0.86 0.89 115.31 125.47 1jgi h LEU 470 Ca 0.21 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1jgi h LEU 470 Cb 0.37 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1jgi h LEU 470 CO 0.00 0.11 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.87 1jgi h LEU 471 N -0.19 -0.68 -1.86 2.25 3.38 -1.26 -2.60 115.31 114.35 1jgi h LEU 471 Ca -0.00 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1jgi h LEU 471 Cb 0.17 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jgi h LEU 471 CO 0.01 -0.42 0.02 1.88 0.09 0.00 0.00 178.44 180.03 1jgi h TYR 472 N -0.65 0.11 -0.54 1.13 0.05 -1.38 -2.21 116.97 113.47 1jgi h TYR 472 Ca -0.04 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1jgi h TYR 472 Cb 0.55 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1jgi h TYR 472 CO -0.11 0.10 0.17 0.66 -1.05 0.00 0.00 178.16 177.92 1jgi h SER 473 N 0.11 0.75 -0.21 3.88 4.64 -0.43 -0.10 113.55 122.18 1jgi h SER 473 Ca 0.03 -0.11 -0.18 0.00 -0.47 0.00 0.00 61.79 61.05 1jgi h SER 473 Cb 0.04 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1jgi h SER 473 CO -0.00 0.71 -0.55 0.40 -0.87 0.00 0.00 176.83 176.51 1jgi h ILE 474 N 0.79 1.28 0.00 0.95 2.04 -1.19 -1.71 117.51 119.68 1jgi h ILE 474 Ca 0.18 -1.75 -0.10 0.00 1.00 0.00 0.00 64.86 64.19 1jgi h ILE 474 Cb 0.23 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1jgi h ILE 474 CO -0.01 0.56 -0.47 0.00 0.00 0.00 0.00 178.15 178.24 1jgi h ALA 475 N 0.76 1.10 0.00 1.87 0.00 -1.30 -1.84 119.26 119.85 1jgi h ALA 475 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jgi h ALA 475 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jgi h ALA 475 CO 0.12 0.59 -0.26 1.28 0.00 0.00 0.00 179.25 180.97 1jgi n LEU 476 N -3.79 0.59 0.00 0.00 4.77 -0.08 -4.34 117.00 114.14 1jgi n LEU 476 Ca -0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1jgi n LEU 476 Cb 0.52 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1jgi n LEU 476 CO 0.39 -0.07 0.02 -1.54 -1.33 0.00 0.00 177.39 174.86 1jgi n SER 477 N -1.98 0.07 0.25 -1.43 3.41 -0.66 -4.78 113.62 108.51 1jgi n SER 477 Ca 0.05 -0.37 0.13 0.00 -0.26 0.00 0.00 58.87 58.43 1jgi n SER 477 Cb 0.40 0.48 0.57 0.00 -0.26 0.00 0.00 64.21 65.41 1jgi n SER 477 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1jgi h THR 478 N 0.06 0.30 0.00 6.66 1.35 -1.55 -3.48 112.91 116.25 1jgi h THR 478 Ca 0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1jgi h THR 478 Cb 0.03 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1jgi h THR 478 CO 0.00 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 1jgi n GLY 479 N 0.07 2.44 0.00 5.82 0.00 -1.26 -4.52 105.19 107.74 1jgi n GLY 479 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1jgi n GLY 479 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgi n GLY 480 N 0.70 2.20 3.57 -0.02 0.00 -1.25 -4.65 105.19 105.74 1jgi n GLY 480 Ca 0.00 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1jgi n GLY 480 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jgi s LEU 481 N 0.00 4.25 0.19 0.99 0.20 -0.10 -4.85 118.68 119.37 1jgi s LEU 481 Ca 0.00 0.14 -0.30 0.00 0.69 0.00 0.00 54.13 54.66 1jgi s LEU 481 Cb 0.00 -2.85 -0.08 0.00 -0.43 0.00 0.00 46.19 42.83 1jgi s LEU 481 CO 0.00 -0.67 1.05 -2.16 -0.29 0.00 0.00 176.35 174.28 1jgi s PRO 482 N 2.85 4.67 -0.29 0.98 0.04 -1.26 -1.49 135.00 140.50 1jgi s PRO 482 Ca 0.26 1.64 0.03 0.00 0.04 0.00 0.00 61.00 62.97 1jgi s PRO 482 Cb -0.14 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.20 1jgi s PRO 482 CO 0.16 0.20 -0.03 -1.17 0.04 0.00 0.00 177.00 176.21 1jgi s LEU 483 N -0.61 3.82 0.10 -3.56 2.96 0.09 -0.17 118.68 121.30 1jgi s LEU 483 Ca 0.47 -1.70 -0.30 0.00 -0.22 0.00 0.00 54.13 52.38 1jgi s LEU 483 Cb -0.28 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 1jgi s LEU 483 CO 0.34 -0.28 0.96 -0.63 -1.32 0.00 0.00 176.35 175.42 1jgi s ILE 484 N 1.08 4.54 -0.69 6.68 1.01 -0.08 -4.45 121.20 129.30 1jgi s ILE 484 Ca 0.01 2.07 -0.25 0.00 0.00 0.00 0.00 60.65 62.47 1jgi s ILE 484 Cb -0.19 -4.32 0.04 0.00 0.01 0.00 0.00 42.46 38.00 1jgi s ILE 484 CO -0.07 0.30 1.14 -0.47 0.00 0.00 0.00 174.94 175.84 1jgi s TYR 485 N 0.12 2.48 0.14 3.97 5.04 -1.26 -1.36 117.35 126.47 1jgi s TYR 485 Ca 0.47 -0.18 -0.34 0.00 -2.44 0.00 0.00 57.07 54.58 1jgi s TYR 485 Cb -0.23 -4.46 -0.16 0.00 0.35 0.00 0.00 41.96 37.46 1jgi s TYR 485 CO 0.30 -1.84 1.25 1.28 -1.34 0.00 0.00 175.55 175.19 1jgi n LEU 486 N 8.59 1.61 0.00 6.97 4.77 -0.63 -1.21 117.00 137.11 1jgi n LEU 486 Ca 0.01 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1jgi n LEU 486 Cb 0.48 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1jgi n LEU 486 CO 0.68 -1.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.18 1jgi n GLY 487 N 2.26 1.14 0.26 -0.72 0.00 -1.26 -4.92 105.19 101.94 1jgi n GLY 487 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 1jgi n GLY 487 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jgi h ASP 488 N 1.39 0.66 0.07 1.61 5.19 -1.50 -1.70 116.42 122.14 1jgi h ASP 488 Ca 0.00 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1jgi h ASP 488 Cb 0.00 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1jgi h ASP 488 CO 0.00 0.86 0.00 -1.84 -3.12 0.00 0.00 179.24 175.14 1jgi n GLU 489 N -4.13 0.08 -0.18 3.56 0.00 -1.26 -1.28 120.64 117.44 1jgi n GLU 489 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 57.16 57.38 1jgi n GLU 489 Cb 0.40 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.38 1jgi n GLU 489 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1jgi n VAL 490 N -1.23 0.61 -3.27 3.84 0.24 -1.14 -1.19 118.33 116.18 1jgi n VAL 490 Ca 0.03 -0.70 -0.17 0.00 -2.04 0.00 0.00 64.34 61.45 1jgi n VAL 490 Cb 0.03 0.46 0.06 0.00 -1.47 0.00 0.00 33.84 32.93 1jgi n VAL 490 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jgi n GLY 491 N -0.42 -0.13 3.74 7.63 0.00 -0.40 -4.28 105.19 111.33 1jgi n GLY 491 Ca 0.04 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1jgi n GLY 491 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jgi s THR 492 N -3.22 2.34 0.73 2.61 2.01 -0.65 -4.84 115.64 114.62 1jgi s THR 492 Ca 0.42 0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 1jgi s THR 492 Cb -0.18 -3.17 0.13 0.00 0.01 0.00 0.00 72.50 69.28 1jgi s THR 492 CO 0.52 0.03 1.01 -0.76 -0.69 0.00 0.00 174.62 174.73 1jgi s LEU 493 N 0.26 2.96 0.86 4.42 1.43 -1.26 -4.34 118.68 123.00 1jgi s LEU 493 Ca 0.66 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1jgi s LEU 493 Cb -0.46 -2.12 0.11 0.00 0.03 0.00 0.00 46.19 43.75 1jgi s LEU 493 CO 0.40 -1.89 1.16 0.20 0.23 0.00 0.00 176.35 176.44 1jgi s ASN 494 N -4.72 3.37 0.05 2.29 0.01 -1.26 -4.72 114.94 109.95 1jgi s ASN 494 Ca 0.66 2.19 -0.30 0.00 -0.71 0.00 0.00 52.86 54.70 1jgi s ASN 494 Cb -0.06 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 1jgi s ASN 494 CO 0.45 -2.81 1.00 -0.62 -1.51 0.00 0.00 177.10 173.60 1jgi s ASP 495 N -2.61 7.39 -0.33 -1.22 -1.08 0.67 -4.95 116.67 114.55 1jgi s ASP 495 Ca 0.68 1.76 0.10 0.00 -0.52 0.00 0.00 52.55 54.56 1jgi s ASP 495 Cb -0.24 -2.58 0.76 0.00 -1.46 0.00 0.00 42.92 39.40 1jgi s ASP 495 CO 0.55 -0.20 1.82 -0.90 0.52 0.00 0.00 175.17 176.95 1jgi n ASP 496 N 3.43 4.89 0.00 -0.34 5.68 -1.26 -4.34 116.55 124.61 1jgi n ASP 496 Ca 0.05 -3.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.11 1jgi n ASP 496 Cb 0.50 -0.75 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1jgi n ASP 496 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1jgi n ASP 497 N -0.13 3.33 -0.26 -1.12 10.43 -1.26 -4.85 116.55 122.68 1jgi n ASP 497 Ca 0.41 0.00 0.07 0.00 2.57 0.00 0.00 54.79 57.84 1jgi n ASP 497 Cb 1.40 0.46 0.19 0.00 1.84 0.00 0.00 41.12 45.00 1jgi n ASP 497 CO 0.00 0.00 0.00 4.11 -1.07 0.00 0.00 177.20 180.24 1jgi h TRP 498 N 0.00 0.15 -0.31 1.24 5.08 -1.89 -2.28 115.95 117.95 1jgi h TRP 498 Ca 0.00 0.05 0.09 0.00 1.08 0.00 0.00 58.89 60.11 1jgi h TRP 498 Cb 0.42 0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.62 1jgi h TRP 498 CO 0.00 -0.17 0.37 0.66 -1.28 0.00 0.00 178.44 178.02 1jgi h SER 499 N 0.19 0.00 -0.01 0.11 4.64 -1.88 -1.40 113.55 115.20 1jgi h SER 499 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1jgi h SER 499 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1jgi h SER 499 CO -0.59 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.21 1jgi n GLN 500 N -3.66 1.47 -2.67 4.77 6.02 -0.87 -4.53 117.38 117.91 1jgi n GLN 500 Ca 0.05 -1.06 -0.43 0.00 -0.01 0.00 0.00 57.00 55.55 1jgi n GLN 500 Cb 0.51 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.49 1jgi n GLN 500 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jgi s ASP 501 N -1.52 6.70 0.61 1.08 -1.08 -0.54 -4.91 116.67 117.01 1jgi s ASP 501 Ca 0.15 0.60 0.28 0.00 -0.52 0.00 0.00 52.55 53.05 1jgi s ASP 501 Cb 0.12 -2.52 1.40 0.00 -1.46 0.00 0.00 42.92 40.46 1jgi s ASP 501 CO 0.28 -1.07 1.81 0.77 0.52 0.00 0.00 175.17 177.48 1jgi h SER 502 N 8.79 0.00 0.14 -0.34 4.64 -1.91 0.48 113.55 125.35 1jgi h SER 502 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1jgi h SER 502 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1jgi h SER 502 CO 1.07 0.00 -0.33 0.59 -0.87 0.00 0.00 176.83 177.29 1jgi n ASN 503 N -3.39 1.40 0.00 4.97 5.03 -1.26 -4.39 115.26 117.61 1jgi n ASN 503 Ca 0.06 -1.13 0.00 0.00 0.87 0.00 0.00 54.58 54.38 1jgi n ASN 503 Cb 0.68 0.25 0.00 0.00 -1.02 0.00 0.00 39.78 39.69 1jgi n ASN 503 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jgi n LYS 504 N -0.40 2.56 -0.46 3.52 5.02 0.93 -4.81 118.16 124.52 1jgi n LYS 504 Ca 0.11 0.00 0.41 0.00 -2.02 0.00 0.00 58.31 56.81 1jgi n LYS 504 Cb 0.39 -0.92 0.76 0.00 -0.02 0.00 0.00 35.03 35.25 1jgi n LYS 504 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jgi h SER 505 N 0.00 0.03 -0.58 4.39 4.64 -0.12 0.75 113.55 122.66 1jgi h SER 505 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1jgi h SER 505 Cb 0.56 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1jgi h SER 505 CO 0.00 -0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.05 1jgi n ASP 506 N -4.14 3.34 -3.58 4.97 5.75 -1.26 -4.64 116.55 116.99 1jgi n ASP 506 Ca 0.33 -2.07 -0.29 0.00 -0.01 0.00 0.00 54.79 52.74 1jgi n ASP 506 Cb 1.50 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 41.04 1jgi n ASP 506 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jgi s ASP 507 N -0.96 3.38 0.12 -1.12 -1.08 0.26 -5.00 116.67 112.26 1jgi s ASP 507 Ca 0.40 -2.11 0.08 0.00 -0.52 0.00 0.00 52.55 50.40 1jgi s ASP 507 Cb 0.22 -0.63 0.42 0.00 -1.46 0.00 0.00 42.92 41.47 1jgi s ASP 507 CO 0.26 -0.33 1.23 -1.54 0.52 0.00 0.00 175.17 175.31 1jgi n SER 508 N 4.18 0.20 0.30 -0.34 3.41 -1.26 -2.28 113.62 117.83 1jgi n SER 508 Ca 0.07 0.59 0.17 0.00 -0.26 0.00 0.00 58.87 59.44 1jgi n SER 508 Cb 0.38 -0.62 0.94 0.00 -0.26 0.00 0.00 64.21 64.65 1jgi n SER 508 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1jgi h ARG 509 N 0.00 0.00 0.00 4.33 3.08 -1.91 0.58 114.38 120.46 1jgi h ARG 509 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jgi h ARG 509 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1jgi h ARG 509 CO 0.00 0.03 0.00 0.91 -1.07 0.00 0.00 179.97 179.84 1jgi n TRP 510 N -3.54 0.71 -0.33 3.04 7.02 -0.97 -1.91 117.44 121.47 1jgi n TRP 510 Ca -0.02 0.30 -0.03 0.00 -1.02 0.00 0.00 57.50 56.72 1jgi n TRP 510 Cb 0.13 -0.98 0.09 0.00 -2.42 0.00 0.00 31.31 28.13 1jgi n TRP 510 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jgi h ALA 511 N 2.23 1.13 -0.81 6.99 0.00 -1.12 -2.45 119.26 125.24 1jgi h ALA 511 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 1jgi h ALA 511 Cb 0.28 -0.36 -0.17 0.00 0.00 0.00 0.00 17.79 17.54 1jgi h ALA 511 CO 0.00 0.56 0.37 -2.39 0.00 0.00 0.00 179.25 177.79 1jgi n HIS 512 N -4.43 2.64 -2.89 0.00 1.44 -0.80 -0.24 115.22 110.94 1jgi n HIS 512 Ca 0.10 -1.35 -0.26 0.00 -2.01 0.00 0.00 57.72 54.19 1jgi n HIS 512 Cb 0.04 -0.76 -0.03 0.00 0.12 0.00 0.00 29.99 29.36 1jgi n HIS 512 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1jgi n ARG 513 N -0.37 3.04 -1.53 -1.40 1.74 -0.92 -4.77 116.66 112.46 1jgi n ARG 513 Ca 0.46 -4.66 -0.30 0.00 -0.77 0.00 0.00 57.85 52.58 1jgi n ARG 513 Cb 1.47 -2.18 0.09 0.00 -1.02 0.00 0.00 32.46 30.81 1jgi n ARG 513 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1jgi s PRO 514 N -3.39 2.19 0.70 5.56 0.04 -1.26 -4.91 135.00 133.93 1jgi s PRO 514 Ca 0.48 0.72 -0.09 0.00 0.04 0.00 0.00 61.00 62.14 1jgi s PRO 514 Cb 0.31 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.96 1jgi s PRO 514 CO -0.14 -1.56 1.05 1.03 0.04 0.00 0.00 177.00 177.41 1jgi s ARG 515 N -5.12 2.56 0.03 4.56 0.52 -1.26 -4.79 118.95 115.44 1jgi s ARG 515 Ca 0.60 0.13 -0.33 0.00 -0.52 0.00 0.00 55.73 55.61 1jgi s ARG 515 Cb -0.15 -2.10 -0.12 0.00 0.52 0.00 0.00 34.95 33.11 1jgi s ARG 515 CO 0.55 -1.10 1.81 0.98 0.02 0.00 0.00 175.30 177.55 1jgi n TYR 516 N -2.94 2.40 -3.04 -0.53 9.36 -0.16 -4.90 117.16 117.34 1jgi n TYR 516 Ca 0.07 -0.02 -0.44 0.00 3.32 0.00 0.00 57.90 60.83 1jgi n TYR 516 Cb 0.59 -2.67 -0.04 0.00 -0.63 0.00 0.00 39.34 36.59 1jgi n TYR 516 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1jgi s ASN 517 N 3.12 6.22 0.17 2.98 3.04 -1.26 -4.92 114.94 124.29 1jgi s ASN 517 Ca 0.87 -1.40 -0.21 0.00 0.04 0.00 0.00 52.86 52.16 1jgi s ASN 517 Cb -0.62 -2.33 0.09 0.00 -1.54 0.00 0.00 41.25 36.84 1jgi s ASN 517 CO 0.45 -1.18 1.61 -0.33 -3.04 0.00 0.00 177.10 174.61 1jgi h GLU 518 N 9.22 -0.19 -0.14 0.43 4.39 -1.99 -1.78 114.58 124.52 1jgi h GLU 518 Ca -0.25 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.51 1jgi h GLU 518 Cb 1.08 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.71 1jgi h GLU 518 CO 1.11 -0.12 -0.31 0.00 -1.16 0.00 0.00 179.01 178.53 1jgi h ALA 519 N 0.96 -0.33 -0.51 3.43 0.00 -1.99 -0.49 119.26 120.33 1jgi h ALA 519 Ca 0.19 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jgi h ALA 519 Cb 0.49 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1jgi h ALA 519 CO -0.51 -0.78 0.30 -0.07 0.00 0.00 0.00 179.25 178.19 1jgi h LEU 520 N -0.37 0.62 -1.84 0.00 3.38 -1.87 -2.27 115.31 112.96 1jgi h LEU 520 Ca 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1jgi h LEU 520 Cb 0.53 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1jgi h LEU 520 CO -0.35 0.50 -0.14 1.88 0.09 0.00 0.00 178.44 180.42 1jgi h TYR 521 N 0.68 0.00 0.00 1.13 0.05 -0.94 -0.40 116.97 117.49 1jgi h TYR 521 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1jgi h TYR 521 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1jgi h TYR 521 CO -0.02 0.14 0.00 0.00 -1.05 0.00 0.00 178.16 177.22 1jgi n ALA 522 N -2.39 2.04 -0.36 3.88 0.00 -0.23 -3.02 120.51 120.43 1jgi n ALA 522 Ca -0.02 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1jgi n ALA 522 Cb 0.23 -1.42 0.25 0.00 0.00 0.00 0.00 19.45 18.51 1jgi n ALA 522 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jgi n GLN 523 N -2.04 2.94 0.28 0.00 6.02 -0.17 -4.65 117.38 119.76 1jgi n GLN 523 Ca 0.05 -2.45 0.15 0.00 -0.01 0.00 0.00 57.00 54.73 1jgi n GLN 523 Cb 0.33 -1.50 0.81 0.00 1.02 0.00 0.00 30.24 30.89 1jgi n GLN 523 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1jgi h ARG 524 N 3.19 0.00 -0.41 -1.09 0.11 -1.45 -2.24 114.38 112.48 1jgi h ARG 524 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jgi h ARG 524 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1jgi h ARG 524 CO 0.04 0.08 0.00 0.09 0.10 0.00 0.00 179.97 180.28 1jgi n ASN 525 N -3.53 3.39 -4.39 0.08 3.02 -1.26 -4.23 115.26 108.34 1jgi n ASN 525 Ca -0.02 -1.96 -0.44 0.00 -0.03 0.00 0.00 54.58 52.13 1jgi n ASN 525 Cb 0.21 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 1jgi n ASN 525 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jgi s ASP 526 N -1.32 6.18 0.00 6.41 -1.08 -0.95 -4.94 116.67 120.97 1jgi s ASP 526 Ca 0.37 -1.27 0.05 0.00 -0.52 0.00 0.00 52.55 51.18 1jgi s ASP 526 Cb 0.21 -2.23 0.25 0.00 -1.46 0.00 0.00 42.92 39.69 1jgi s ASP 526 CO 0.29 -0.79 1.03 -0.81 0.52 0.00 0.00 175.17 175.41 1jgi n PRO 527 N 5.62 0.06 0.00 4.34 -0.04 -1.26 -2.11 135.00 141.60 1jgi n PRO 527 Ca -0.11 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 1jgi n PRO 527 Cb 0.44 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.67 1jgi n PRO 527 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jgi n SER 528 N -1.33 2.33 -4.61 3.54 7.64 -1.26 -4.58 113.62 115.36 1jgi n SER 528 Ca 0.02 -1.76 -0.26 0.00 1.01 0.00 0.00 58.87 57.88 1jgi n SER 528 Cb 0.04 0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 1jgi n SER 528 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jgi s THR 529 N -2.03 3.40 0.27 0.44 -4.23 -0.90 -5.02 115.64 107.58 1jgi s THR 529 Ca 0.32 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 59.18 1jgi s THR 529 Cb 0.20 -2.71 0.24 0.00 1.34 0.00 0.00 72.50 71.57 1jgi s THR 529 CO 0.33 -0.14 1.92 0.00 -0.54 0.00 0.00 174.62 176.19 1jgi h ALA 530 N 2.71 1.31 -0.53 3.99 0.00 -1.91 -1.06 119.26 123.78 1jgi h ALA 530 Ca -0.46 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1jgi h ALA 530 Cb 1.21 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1jgi h ALA 530 CO 0.56 0.60 0.34 0.00 0.00 0.00 0.00 179.25 180.75 1jgi h ALA 531 N 1.40 0.68 -0.28 0.00 0.00 -1.84 -0.35 119.26 118.87 1jgi h ALA 531 Ca 0.31 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1jgi h ALA 531 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jgi h ALA 531 CO -0.06 0.08 -0.44 0.78 0.00 0.00 0.00 179.25 179.61 1jgi h GLY 532 N 0.68 0.78 0.96 0.00 0.00 -1.02 -1.47 103.07 103.00 1jgi h GLY 532 Ca 0.20 -0.82 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 1jgi h GLY 532 CO -0.07 0.74 0.01 1.46 0.00 0.00 0.00 176.54 178.68 1jgi h GLN 533 N 0.57 0.74 0.12 4.80 4.20 -0.90 0.19 115.11 124.83 1jgi h GLN 533 Ca 0.04 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1jgi h GLN 533 Cb 0.99 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1jgi h GLN 533 CO 0.09 0.81 -0.06 0.82 -0.67 0.00 0.00 178.83 179.83 1jgi h ILE 534 N 0.58 1.03 0.65 2.54 2.04 -1.05 -2.17 117.51 121.12 1jgi h ILE 534 Ca 0.12 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1jgi h ILE 534 Cb 0.48 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1jgi h ILE 534 CO 0.02 0.15 -0.37 0.22 0.00 0.00 0.00 178.15 178.17 1jgi h TYR 535 N -0.44 -0.97 -0.97 1.37 3.20 -0.03 0.11 116.97 119.24 1jgi h TYR 535 Ca -0.02 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1jgi h TYR 535 Cb 0.36 0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 1jgi h TYR 535 CO 0.02 -0.57 0.63 1.96 -1.64 0.00 0.00 178.16 178.56 1jgi h GLN 536 N -0.95 1.17 -0.08 1.82 1.08 -1.05 0.73 115.11 117.84 1jgi h GLN 536 Ca -0.08 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 56.90 1jgi h GLN 536 Cb 0.75 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1jgi h GLN 536 CO 0.10 0.78 -0.61 -0.44 -0.95 0.00 0.00 178.83 177.71 1jgi h ASP 537 N 1.21 0.33 0.29 1.46 3.45 -1.28 -0.42 116.42 121.45 1jgi h ASP 537 Ca 0.40 -0.19 -0.23 0.00 0.43 0.00 0.00 57.03 57.44 1jgi h ASP 537 Cb 0.04 -0.09 0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1jgi h ASP 537 CO -0.13 0.86 -0.95 -0.07 -1.57 0.00 0.00 179.24 177.37 1jgi h LEU 538 N 0.21 0.59 -0.91 1.55 4.07 -0.04 -2.87 115.31 117.91 1jgi h LEU 538 Ca -0.01 -0.47 -0.09 0.00 0.08 0.00 0.00 57.88 57.39 1jgi h LEU 538 Cb 1.13 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.67 1jgi h LEU 538 CO 0.10 1.27 -0.16 -0.09 -1.08 0.00 0.00 178.44 178.48 1jgi h ARG 539 N 0.26 0.62 -0.38 1.13 9.65 0.61 -1.69 114.38 124.58 1jgi h ARG 539 Ca -0.09 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 58.57 1jgi h ARG 539 Cb 1.59 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 30.10 1jgi h ARG 539 CO 0.17 0.76 0.17 1.25 2.80 0.00 0.00 179.97 185.12 1jgi h HIS 540 N 0.56 0.55 -0.52 2.20 2.76 -1.04 -0.05 115.15 119.61 1jgi h HIS 540 Ca 0.09 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1jgi h HIS 540 Cb 0.60 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 1jgi h HIS 540 CO 0.02 0.48 0.10 0.52 -1.30 0.00 0.00 177.93 177.75 1jgi h MET 541 N 0.47 0.81 -0.32 5.26 2.86 -1.26 -0.87 114.93 121.87 1jgi h MET 541 Ca 0.13 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1jgi h MET 541 Cb 0.14 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1jgi h MET 541 CO -0.01 0.75 0.09 0.82 1.06 0.00 0.00 176.91 179.62 1jgi h ILE 542 N 0.78 1.21 -0.74 -1.22 2.04 -0.98 0.48 117.51 119.08 1jgi h ILE 542 Ca 0.17 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1jgi h ILE 542 Cb 0.33 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1jgi h ILE 542 CO 0.00 0.23 0.47 0.00 0.00 0.00 0.00 178.15 178.86 1jgi h ALA 543 N 0.93 0.95 -0.01 1.87 0.00 -0.56 -1.07 119.26 121.38 1jgi h ALA 543 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jgi h ALA 543 Cb 0.27 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jgi h ALA 543 CO -0.00 0.29 0.00 0.28 0.00 0.00 0.00 179.25 179.82 1jgi h VAL 544 N 0.94 1.23 -0.33 0.00 2.07 -0.92 -2.52 116.25 116.73 1jgi h VAL 544 Ca 0.29 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1jgi h VAL 544 Cb -0.03 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1jgi h VAL 544 CO -0.09 0.18 0.02 -0.09 0.02 0.00 0.00 177.57 177.61 1jgi h ARG 545 N -0.28 0.11 0.00 1.57 2.43 -0.68 -0.35 114.38 117.18 1jgi h ARG 545 Ca 0.00 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1jgi h ARG 545 Cb 0.29 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1jgi h ARG 545 CO 0.00 0.07 -0.31 1.96 -1.51 0.00 0.00 179.97 180.18 1jgi h GLN 546 N 0.12 0.00 0.00 0.20 4.20 -1.21 -3.30 115.11 115.12 1jgi h GLN 546 Ca 0.16 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 1jgi h GLN 546 Cb 0.20 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1jgi h GLN 546 CO -0.25 0.31 -1.98 -1.13 -0.67 0.00 0.00 178.83 175.11 1jgi n SER 547 N -3.64 0.32 -4.52 1.46 3.41 -0.95 -4.47 113.62 105.23 1jgi n SER 547 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1jgi n SER 547 Cb 0.43 1.81 -0.09 0.00 -0.26 0.00 0.00 64.21 66.10 1jgi n SER 547 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1jgi s ASN 548 N -4.49 6.20 0.46 4.04 3.84 -0.16 -4.95 114.94 119.89 1jgi s ASN 548 Ca -0.08 -0.37 0.30 0.00 0.21 0.00 0.00 52.86 52.93 1jgi s ASN 548 Cb 0.12 -2.22 1.63 0.00 -0.55 0.00 0.00 41.25 40.23 1jgi s ASN 548 CO 0.84 -0.45 1.91 1.55 -2.79 0.00 0.00 177.10 178.17 1jgi h PRO 549 N 8.56 0.00 0.00 0.43 0.13 -1.88 -2.60 132.00 136.65 1jgi h PRO 549 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1jgi h PRO 549 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jgi h PRO 549 CO 0.74 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 1jgi h ARG 550 N 0.00 0.00 -0.03 0.86 3.08 -1.92 -1.74 114.38 114.63 1jgi h ARG 550 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jgi h ARG 550 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1jgi h ARG 550 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 1jgi n PHE 551 N -2.52 0.01 -2.01 3.04 3.01 -0.98 -4.22 117.46 113.79 1jgi n PHE 551 Ca -0.00 -0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.09 1jgi n PHE 551 Cb 0.13 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.63 1jgi n PHE 551 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jgi s ASP 552 N -1.99 5.25 0.00 4.37 2.15 -0.66 -4.55 116.67 121.25 1jgi s ASP 552 Ca 0.31 2.42 0.00 0.00 0.43 0.00 0.00 52.55 55.71 1jgi s ASP 552 Cb 0.20 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1jgi s ASP 552 CO 0.31 -1.55 0.00 0.61 -0.17 0.00 0.00 175.17 174.37 1jgi n GLY 553 N 0.54 -1.12 0.03 2.66 0.00 -0.76 -4.75 105.19 101.78 1jgi n GLY 553 Ca 0.13 -1.59 0.02 0.00 0.00 0.00 0.00 46.02 44.57 1jgi n GLY 553 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jgi n GLY 554 N -0.91 2.31 3.85 -0.02 0.00 -1.26 -3.79 105.19 105.36 1jgi n GLY 554 Ca 0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1jgi n GLY 554 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jgi s ARG 555 N -1.13 3.92 0.08 1.61 1.81 -1.26 -4.64 118.95 119.34 1jgi s ARG 555 Ca 0.05 0.40 -0.11 0.00 -1.72 0.00 0.00 55.73 54.36 1jgi s ARG 555 Cb 0.05 -3.00 0.01 0.00 -0.45 0.00 0.00 34.95 31.55 1jgi s ARG 555 CO 0.01 0.54 0.24 -0.48 -0.68 0.00 0.00 175.30 174.92 1jgi s LEU 556 N -1.79 1.20 -0.09 2.53 0.05 -1.26 -4.47 118.68 114.85 1jgi s LEU 556 Ca 0.34 -0.49 0.01 0.00 0.05 0.00 0.00 54.13 54.04 1jgi s LEU 556 Cb -0.15 1.18 0.02 0.00 -2.05 0.00 0.00 46.19 45.19 1jgi s LEU 556 CO 0.18 -0.70 -0.10 -0.69 -0.55 0.00 0.00 176.35 174.50 1jgi s VAL 557 N -3.45 1.05 0.71 1.48 1.01 -1.00 -4.84 120.40 115.34 1jgi s VAL 557 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 1jgi s VAL 557 Cb 0.03 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1jgi s VAL 557 CO -0.09 0.35 1.06 0.42 0.00 0.00 0.00 175.10 176.85 1jgi s THR 558 N 1.17 3.92 -0.09 3.92 -4.23 -1.26 0.15 115.64 119.22 1jgi s THR 558 Ca -0.05 0.62 0.03 0.00 -1.18 0.00 0.00 61.69 61.11 1jgi s THR 558 Cb -0.14 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.38 1jgi s THR 558 CO -0.02 -0.82 -0.19 0.12 -0.54 0.00 0.00 174.62 173.17 1jgi s PHE 559 N -3.03 2.15 -0.46 3.99 5.36 0.10 -4.77 117.98 121.33 1jgi s PHE 559 Ca 0.58 -0.89 -0.29 0.00 -0.96 0.00 0.00 56.93 55.37 1jgi s PHE 559 Cb -0.14 -1.48 0.02 0.00 -0.34 0.00 0.00 43.02 41.07 1jgi s PHE 559 CO 0.55 -0.39 1.28 -0.80 -1.46 0.00 0.00 175.22 174.40 1jgi s ASN 560 N 0.55 6.46 0.20 6.13 0.01 -1.26 -4.04 114.94 122.99 1jgi s ASN 560 Ca -0.15 0.59 0.25 0.00 -0.71 0.00 0.00 52.86 52.84 1jgi s ASN 560 Cb -0.17 -2.55 0.62 0.00 0.41 0.00 0.00 41.25 39.57 1jgi s ASN 560 CO 0.05 -1.38 1.62 0.71 -1.51 0.00 0.00 177.10 176.59 1jgi h THR 561 N 6.35 0.00 -1.56 1.60 1.35 -1.91 -3.48 112.91 115.26 1jgi h THR 561 Ca -0.25 -0.53 -0.38 0.00 -0.55 0.00 0.00 66.41 64.69 1jgi h THR 561 Cb 1.08 1.41 -0.10 0.00 -1.73 0.00 0.00 68.15 68.80 1jgi h THR 561 CO 1.12 0.00 -0.40 0.59 -0.25 0.00 0.00 175.52 176.58 1jgi n ASN 562 N -2.30 -5.35 -3.65 5.36 3.02 -1.26 -4.68 115.26 106.40 1jgi n ASN 562 Ca 0.05 0.29 -0.27 0.00 -0.03 0.00 0.00 54.58 54.61 1jgi n ASN 562 Cb 0.44 -4.48 -0.16 0.00 -0.61 0.00 0.00 39.78 34.97 1jgi n ASN 562 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1jgi s ASN 563 N -2.56 2.90 0.10 6.41 3.04 -1.26 -5.00 114.94 118.57 1jgi s ASN 563 Ca 0.00 -0.90 0.04 0.00 0.04 0.00 0.00 52.86 52.05 1jgi s ASN 563 Cb 0.00 -0.44 0.24 0.00 -1.54 0.00 0.00 41.25 39.52 1jgi s ASN 563 CO 0.00 -0.36 1.00 2.29 -3.04 0.00 0.00 177.10 176.99 1jgi n LYS 564 N 5.16 0.03 0.00 0.43 2.85 -1.26 -0.92 118.16 124.45 1jgi n LYS 564 Ca -0.07 0.41 0.09 0.00 -1.05 0.00 0.00 58.31 57.69 1jgi n LYS 564 Cb 0.46 -1.79 -0.09 0.00 -0.65 0.00 0.00 35.03 32.97 1jgi n LYS 564 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jgi n HIS 565 N -1.56 0.00 -4.07 5.58 8.25 -1.26 -1.12 115.22 121.04 1jgi n HIS 565 Ca -0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1jgi n HIS 565 Cb 0.20 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.16 1jgi n HIS 565 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jgi s ILE 566 N -2.71 2.90 0.18 1.59 1.01 -0.10 -0.75 121.20 123.33 1jgi s ILE 566 Ca 0.09 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 1jgi s ILE 566 Cb 0.15 -2.28 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 1jgi s ILE 566 CO 0.73 0.47 0.64 -0.51 0.00 0.00 0.00 174.94 176.27 1jgi s ILE 567 N 1.30 4.71 -0.08 2.92 1.10 -0.39 -4.65 121.20 126.11 1jgi s ILE 567 Ca 0.04 1.06 -0.06 0.00 -0.51 0.00 0.00 60.65 61.19 1jgi s ILE 567 Cb -0.14 -3.80 0.03 0.00 0.15 0.00 0.00 42.46 38.70 1jgi s ILE 567 CO -0.06 0.23 0.20 -0.83 -2.11 0.00 0.00 174.94 172.37 1jgi s GLY 568 N -1.67 -0.13 0.14 1.50 0.00 -1.26 -1.40 107.32 104.50 1jgi s GLY 568 Ca 0.40 0.70 -0.13 0.00 0.00 0.00 0.00 44.72 45.69 1jgi s GLY 568 CO 0.20 0.78 0.35 -2.52 0.00 0.00 0.00 173.10 171.91 1jgi s TYR 569 N 0.61 0.03 -0.05 1.90 -0.85 -0.91 0.00 117.35 118.08 1jgi s TYR 569 Ca -0.04 -0.39 0.04 0.00 -0.52 0.00 0.00 57.07 56.17 1jgi s TYR 569 Cb -0.06 0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.42 1jgi s TYR 569 CO -0.03 -0.71 -0.18 0.42 -1.52 0.00 0.00 175.55 173.53 1jgi s ILE 570 N -3.87 1.52 -0.15 -3.49 1.01 0.12 -1.05 121.20 115.30 1jgi s ILE 570 Ca 0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1jgi s ILE 570 Cb 0.02 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1jgi s ILE 570 CO -0.07 0.44 0.02 -0.13 0.00 0.00 0.00 174.94 175.20 1jgi s ARG 571 N 0.09 3.64 -0.58 2.79 1.81 0.36 -2.39 118.95 124.67 1jgi s ARG 571 Ca -0.06 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1jgi s ARG 571 Cb -0.13 -3.03 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 1jgi s ARG 571 CO 0.03 0.39 0.00 0.09 -0.68 0.00 0.00 175.30 175.13 1jgi n ASN 572 N 3.13 -1.96 -3.23 0.23 3.02 -1.26 -0.42 115.26 114.77 1jgi n ASN 572 Ca -0.17 0.24 -0.23 0.00 -0.03 0.00 0.00 54.58 54.38 1jgi n ASN 572 Cb 0.53 -1.92 0.02 0.00 -0.61 0.00 0.00 39.78 37.79 1jgi n ASN 572 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jgi n ASN 573 N -0.57 -4.98 0.00 6.41 5.15 -1.26 -4.76 115.26 115.25 1jgi n ASN 573 Ca -0.07 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 1jgi n ASN 573 Cb 0.36 -4.05 0.00 0.00 -0.53 0.00 0.00 39.78 35.56 1jgi n ASN 573 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jgi n ALA 574 N -3.63 0.00 -3.78 5.20 0.00 0.44 -4.62 120.51 114.12 1jgi n ALA 574 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 1jgi n ALA 574 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 1jgi n ALA 574 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jgi s LEU 575 N 0.00 1.33 -0.36 0.00 1.98 -0.67 -1.14 118.68 119.83 1jgi s LEU 575 Ca 0.00 -0.76 -0.13 0.00 -2.89 0.00 0.00 54.13 50.35 1jgi s LEU 575 Cb 0.00 -0.69 -0.00 0.00 0.66 0.00 0.00 46.19 46.16 1jgi s LEU 575 CO 0.00 -0.27 0.24 -0.22 -1.89 0.00 0.00 176.35 174.21 1jgi s LEU 576 N 1.79 4.63 -0.13 -0.68 2.96 0.11 -0.49 118.68 126.86 1jgi s LEU 576 Ca -0.01 -0.58 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 1jgi s LEU 576 Cb -0.16 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1jgi s LEU 576 CO -0.07 -0.29 0.06 0.00 -1.32 0.00 0.00 176.35 174.72 1jgi s ALA 577 N 1.69 3.46 -0.02 5.97 0.00 -0.21 -0.59 121.76 132.06 1jgi s ALA 577 Ca 0.05 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1jgi s ALA 577 Cb -0.18 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 1jgi s ALA 577 CO 0.10 0.43 -0.20 -0.06 0.00 0.00 0.00 175.76 176.02 1jgi s PHE 578 N -0.39 1.81 -0.08 0.00 0.08 -0.14 -2.14 117.98 117.13 1jgi s PHE 578 Ca 0.09 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 1jgi s PHE 578 Cb -0.12 -1.18 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 1jgi s PHE 578 CO 0.02 -0.06 0.02 0.20 -0.10 0.00 0.00 175.22 175.30 1jgi s GLY 579 N -0.39 0.42 -0.36 4.36 0.00 -0.50 -1.04 107.32 109.82 1jgi s GLY 579 Ca 0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.48 1jgi s GLY 579 CO -0.00 1.24 0.61 0.21 0.00 0.00 0.00 173.10 175.16 1jgi s ASN 580 N 2.02 6.39 -0.01 1.64 2.47 -0.55 -1.27 114.94 125.64 1jgi s ASN 580 Ca 0.05 0.06 0.14 0.00 0.42 0.00 0.00 52.86 53.52 1jgi s ASN 580 Cb -0.13 -2.31 0.42 0.00 -1.45 0.00 0.00 41.25 37.78 1jgi s ASN 580 CO -0.05 -0.59 1.33 0.49 -3.72 0.00 0.00 177.10 174.57 1jgi n PHE 581 N 6.00 0.68 -3.84 0.43 3.01 0.07 -2.57 117.46 121.23 1jgi n PHE 581 Ca -0.02 -0.32 -0.32 0.00 1.01 0.00 0.00 57.45 57.80 1jgi n PHE 581 Cb 0.49 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 39.88 1jgi n PHE 581 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1jgi s SER 582 N -0.95 6.41 0.00 4.37 0.15 -1.26 -4.52 113.70 117.89 1jgi s SER 582 Ca 0.31 0.39 0.12 0.00 0.70 0.00 0.00 55.95 57.47 1jgi s SER 582 Cb 0.17 -2.01 0.43 0.00 -1.71 0.00 0.00 66.02 62.89 1jgi s SER 582 CO 0.20 0.16 1.32 -1.84 1.20 0.00 0.00 173.24 174.28 1jgi n GLU 583 N 0.42 1.59 -4.43 5.44 0.00 -1.26 -1.93 120.64 120.46 1jgi n GLU 583 Ca -0.06 -0.91 -0.24 0.00 0.00 0.00 0.00 57.16 55.95 1jgi n GLU 583 Cb 0.52 -1.26 -0.11 0.00 0.00 0.00 0.00 31.44 30.59 1jgi n GLU 583 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1jgi s TYR 584 N -1.71 2.20 0.41 -1.84 2.02 -1.26 -4.65 117.35 112.52 1jgi s TYR 584 Ca 0.22 -0.37 -0.27 0.00 -0.37 0.00 0.00 57.07 56.28 1jgi s TYR 584 Cb 0.11 -1.01 -0.10 0.00 -0.40 0.00 0.00 41.96 40.57 1jgi s TYR 584 CO 0.16 0.59 1.45 -2.14 -1.57 0.00 0.00 175.55 174.04 1jgi s PRO 585 N -3.24 3.91 0.05 -1.71 0.02 -1.26 -4.10 135.00 128.68 1jgi s PRO 585 Ca 0.26 2.48 0.04 0.00 0.02 0.00 0.00 61.00 63.79 1jgi s PRO 585 Cb -0.05 -2.82 -0.02 0.00 0.02 0.00 0.00 34.50 31.62 1jgi s PRO 585 CO 0.12 -0.66 -0.12 -0.65 -0.33 0.00 0.00 177.00 175.36 1jgi s GLN 586 N -2.26 0.77 0.06 5.54 -1.52 -0.14 -4.96 119.66 117.15 1jgi s GLN 586 Ca 0.57 -0.81 0.09 0.00 -1.95 0.00 0.00 55.36 53.25 1jgi s GLN 586 Cb -0.45 -0.73 -0.03 0.00 -0.22 0.00 0.00 33.01 31.58 1jgi s GLN 586 CO 0.59 0.17 -0.25 0.99 -0.25 0.00 0.00 175.29 176.54 1jgi s THR 587 N -1.10 2.31 -0.26 -0.19 2.01 -1.26 0.62 115.64 117.77 1jgi s THR 587 Ca -0.02 -1.40 -0.02 0.00 0.31 0.00 0.00 61.69 60.56 1jgi s THR 587 Cb -0.09 -1.94 0.03 0.00 0.01 0.00 0.00 72.50 70.51 1jgi s THR 587 CO 0.01 0.32 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.53 1jgi s VAL 588 N -0.87 3.01 0.74 3.82 1.01 0.13 -4.76 120.40 123.47 1jgi s VAL 588 Ca 0.13 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 1jgi s VAL 588 Cb -0.10 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1jgi s VAL 588 CO 0.03 0.17 1.15 0.42 0.00 0.00 0.00 175.10 176.87 1jgi s THR 589 N 1.34 2.77 0.32 3.92 -4.23 -1.26 -0.35 115.64 118.16 1jgi s THR 589 Ca 0.00 0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.87 1jgi s THR 589 Cb -0.17 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 71.03 1jgi s THR 589 CO -0.03 -0.25 1.86 0.00 -0.54 0.00 0.00 174.62 175.66 1jgi h ALA 590 N -0.52 1.33 -0.56 3.99 0.00 -1.88 -2.04 119.26 119.59 1jgi h ALA 590 Ca -0.46 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.29 1jgi h ALA 590 Cb 1.26 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1jgi h ALA 590 CO 0.50 0.46 0.30 1.25 0.00 0.00 0.00 179.25 181.76 1jgi h HIS 591 N 0.57 0.55 0.00 0.00 6.17 -1.93 -0.24 115.15 120.27 1jgi h HIS 591 Ca 0.12 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.17 1jgi h HIS 591 Cb 0.33 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.09 1jgi h HIS 591 CO 0.01 0.27 -0.24 1.15 0.71 0.00 0.00 177.93 179.83 1jgi h THR 592 N 0.57 0.94 -0.62 6.26 2.02 -1.76 -2.97 112.91 117.34 1jgi h THR 592 Ca 0.25 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1jgi h THR 592 Cb 0.14 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1jgi h THR 592 CO -0.16 0.24 0.00 0.18 0.37 0.00 0.00 175.52 176.15 1jgi n LEU 593 N -3.90 3.42 -0.06 2.58 4.77 -0.21 -4.63 117.00 118.97 1jgi n LEU 593 Ca -0.02 -1.71 0.16 0.00 -0.03 0.00 0.00 56.01 54.41 1jgi n LEU 593 Cb 0.33 -0.43 0.58 0.00 -2.33 0.00 0.00 43.42 41.57 1jgi n LEU 593 CO 0.35 0.83 1.19 1.56 -1.33 0.00 0.00 177.39 179.99 1jgi h GLN 594 N 3.66 0.24 -0.00 3.23 4.20 -1.10 -2.10 115.11 123.23 1jgi h GLN 594 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jgi h GLN 594 Cb 0.87 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1jgi h GLN 594 CO 0.02 0.16 -0.25 0.00 -0.67 0.00 0.00 178.83 178.09 1jgi n ALA 595 N -2.57 2.95 -1.99 3.87 0.00 -1.26 -4.89 120.51 116.62 1jgi n ALA 595 Ca 0.11 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 1jgi n ALA 595 Cb 0.49 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.67 1jgi n ALA 595 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jgi s MET 596 N -2.96 3.44 0.65 0.00 -1.94 -0.79 -5.03 119.30 112.67 1jgi s MET 596 Ca 0.14 0.52 -0.18 0.00 -1.71 0.00 0.00 55.69 54.45 1jgi s MET 596 Cb 0.18 -2.16 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 1jgi s MET 596 CO 0.61 -0.54 1.28 -2.14 -0.01 0.00 0.00 175.02 174.21 1jgi s PRO 597 N -5.08 2.57 0.58 2.03 0.02 -1.26 -4.86 135.00 129.00 1jgi s PRO 597 Ca 0.53 2.01 0.32 0.00 0.02 0.00 0.00 61.00 63.88 1jgi s PRO 597 Cb -0.11 -1.85 1.80 0.00 0.02 0.00 0.00 34.50 34.36 1jgi s PRO 597 CO 0.51 -1.57 2.21 0.27 -0.33 0.00 0.00 177.00 178.09 1jgi h PHE 598 N 0.52 0.00 -4.01 6.54 -0.00 -1.94 -3.39 116.94 114.67 1jgi h PHE 598 Ca -0.51 0.00 -0.18 0.00 -0.00 0.00 0.00 57.97 57.28 1jgi h PHE 598 Cb 1.33 0.00 -0.20 0.00 -0.00 0.00 0.00 35.95 37.08 1jgi h PHE 598 CO 0.42 0.04 -0.70 0.15 -0.00 0.00 0.00 178.31 178.22 1jgi s LYS 599 N -4.36 0.41 -0.23 6.09 1.02 -1.26 -0.56 119.74 120.85 1jgi s LYS 599 Ca -0.04 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 55.00 1jgi s LYS 599 Cb 0.14 0.04 0.06 0.00 -0.52 0.00 0.00 37.83 37.55 1jgi s LYS 599 CO 0.53 -0.04 0.60 0.00 -0.92 0.00 0.00 175.35 175.53 1jgi s ALA 600 N -1.85 -1.49 0.01 5.17 0.00 -0.26 -4.91 121.76 118.42 1jgi s ALA 600 Ca -0.11 1.71 -0.27 0.00 0.00 0.00 0.00 51.96 53.29 1jgi s ALA 600 Cb -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1jgi s ALA 600 CO -0.02 -0.29 0.86 -1.58 0.00 0.00 0.00 175.76 174.73 1jgi s HIS 601 N 0.36 3.67 -0.39 0.00 2.46 -1.26 0.25 115.29 120.37 1jgi s HIS 601 Ca -0.00 1.55 -0.17 0.00 0.47 0.00 0.00 55.06 56.90 1jgi s HIS 601 Cb -0.04 -2.97 0.01 0.00 -0.13 0.00 0.00 32.58 29.45 1jgi s HIS 601 CO 0.00 0.10 0.44 0.34 -2.47 0.00 0.00 174.74 173.15 1jgi s ASP 602 N 0.62 6.22 0.56 9.88 2.15 0.23 -1.57 116.67 134.74 1jgi s ASP 602 Ca 0.45 -0.47 0.31 0.00 0.43 0.00 0.00 52.55 53.28 1jgi s ASP 602 Cb -0.20 -2.23 1.62 0.00 -0.30 0.00 0.00 42.92 41.81 1jgi s ASP 602 CO 0.25 -0.53 2.12 -0.07 -0.17 0.00 0.00 175.17 176.77 1jgi h LEU 603 N 9.03 0.00 0.26 -1.34 3.38 -1.36 0.89 115.31 126.17 1jgi h LEU 603 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1jgi h LEU 603 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1jgi h LEU 603 CO 0.78 0.08 -0.13 0.40 0.09 0.00 0.00 178.44 179.65 1jgi h ILE 604 N 0.00 0.08 0.00 1.22 1.08 -1.87 -3.36 117.51 114.66 1jgi h ILE 604 Ca -0.00 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 1jgi h ILE 604 Cb 0.29 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1jgi h ILE 604 CO 0.01 0.02 -0.46 1.23 -0.69 0.00 0.00 178.15 178.26 1jgi h GLY 605 N -1.08 0.00 0.00 5.37 0.00 -1.84 -3.48 103.07 102.04 1jgi h GLY 605 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1jgi h GLY 605 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1jgi n GLY 606 N 1.24 0.57 3.88 4.60 0.00 0.31 -5.03 105.19 110.76 1jgi n GLY 606 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1jgi n GLY 606 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgi s LYS 607 N -0.16 3.15 -0.13 1.61 1.02 -1.21 -4.82 119.74 119.20 1jgi s LYS 607 Ca 0.00 -0.88 -0.22 0.00 0.02 0.00 0.00 55.97 54.89 1jgi s LYS 607 Cb 0.00 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1jgi s LYS 607 CO 0.00 0.44 0.66 0.99 -0.92 0.00 0.00 175.35 176.51 1jgi s THR 608 N -1.99 5.04 -0.06 2.17 2.01 -1.26 -0.60 115.64 120.95 1jgi s THR 608 Ca 0.33 1.30 -0.01 0.00 0.31 0.00 0.00 61.69 63.62 1jgi s THR 608 Cb -0.09 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1jgi s THR 608 CO 0.26 0.20 0.00 -0.69 -0.69 0.00 0.00 174.62 173.71 1jgi s VAL 609 N 1.26 4.29 -0.11 3.82 1.01 0.14 -4.93 120.40 125.88 1jgi s VAL 609 Ca 0.33 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1jgi s VAL 609 Cb -0.17 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1jgi s VAL 609 CO 0.14 0.54 0.61 -0.44 0.00 0.00 0.00 175.10 175.95 1jgi s SER 610 N -1.07 6.83 0.00 3.32 0.01 -1.26 -1.10 113.70 120.43 1jgi s SER 610 Ca 0.15 1.00 0.18 0.00 1.31 0.00 0.00 55.95 58.58 1jgi s SER 610 Cb -0.11 -2.36 0.24 0.00 0.21 0.00 0.00 66.02 63.99 1jgi s SER 610 CO 0.05 -0.11 1.16 0.18 0.41 0.00 0.00 173.24 174.93 1jgi n LEU 611 N 3.98 2.76 -1.99 2.44 4.77 0.28 -4.30 117.00 124.94 1jgi n LEU 611 Ca -0.03 -1.27 -0.08 0.00 -0.03 0.00 0.00 56.01 54.60 1jgi n LEU 611 Cb 0.51 -0.10 0.28 0.00 -2.33 0.00 0.00 43.42 41.78 1jgi n LEU 611 CO 0.45 0.55 1.04 -0.46 -1.33 0.00 0.00 177.39 177.65 1jgi n ASN 612 N 1.04 4.61 -3.56 -1.43 6.94 -1.22 -4.64 115.26 117.00 1jgi n ASN 612 Ca 0.13 -3.20 -0.13 0.00 -0.02 0.00 0.00 54.58 51.36 1jgi n ASN 612 Cb 0.47 -0.75 -0.04 0.00 -2.36 0.00 0.00 39.78 37.10 1jgi n ASN 612 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jgi s GLN 613 N -2.89 1.09 0.03 -3.83 -2.07 -1.26 -4.95 119.66 105.79 1jgi s GLN 613 Ca 0.53 -0.40 -0.38 0.00 -1.82 0.00 0.00 55.36 53.28 1jgi s GLN 613 Cb 0.42 0.50 -0.18 0.00 -1.09 0.00 0.00 33.01 32.66 1jgi s GLN 613 CO 0.13 -0.42 1.25 -0.25 -1.32 0.00 0.00 175.29 174.68 1jgi n ASP 614 N 0.08 1.03 -4.35 12.60 9.92 -1.26 -4.31 116.55 130.26 1jgi n ASP 614 Ca -0.17 1.13 -0.38 0.00 -0.53 0.00 0.00 54.79 54.84 1jgi n ASP 614 Cb 0.62 -1.08 -0.12 0.00 -0.64 0.00 0.00 41.12 39.90 1jgi n ASP 614 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1jgi s LEU 615 N 0.42 4.07 -0.22 0.64 2.96 0.53 -4.91 118.68 122.18 1jgi s LEU 615 Ca 0.88 -0.80 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 1jgi s LEU 615 Cb -1.08 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 1jgi s LEU 615 CO 0.52 -0.24 0.05 -0.89 -1.32 0.00 0.00 176.35 174.47 1jgi s THR 616 N 1.50 4.36 -0.12 3.68 2.01 -1.26 0.22 115.64 126.03 1jgi s THR 616 Ca 0.02 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 1jgi s THR 616 Cb -0.18 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1jgi s THR 616 CO 0.03 0.40 0.22 -0.76 -0.69 0.00 0.00 174.62 173.82 1jgi s LEU 617 N 1.08 4.35 0.88 4.42 1.43 0.20 -4.93 118.68 126.11 1jgi s LEU 617 Ca 0.04 0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 1jgi s LEU 617 Cb -0.14 -2.23 0.12 0.00 0.03 0.00 0.00 46.19 43.97 1jgi s LEU 617 CO 0.03 0.30 1.10 -1.10 0.23 0.00 0.00 176.35 176.91 1jgi s GLN 618 N -0.53 1.41 0.05 1.70 -1.52 -1.26 -0.96 119.66 118.53 1jgi s GLN 618 Ca 0.16 0.61 -0.37 0.00 -1.95 0.00 0.00 55.36 53.81 1jgi s GLN 618 Cb -0.13 -1.84 -0.17 0.00 -0.22 0.00 0.00 33.01 30.65 1jgi s GLN 618 CO 0.05 -2.09 1.39 -2.30 -0.25 0.00 0.00 175.29 172.09 1jgi n PRO 619 N -3.74 1.17 -1.75 2.91 -0.02 -1.26 -0.93 135.00 131.38 1jgi n PRO 619 Ca 0.07 0.42 -0.15 0.00 -2.02 0.00 0.00 63.50 61.82 1jgi n PRO 619 Cb 0.57 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1jgi n PRO 619 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jgi n TYR 620 N 2.86 -0.59 -2.57 6.00 4.01 -0.81 -4.94 117.16 121.12 1jgi n TYR 620 Ca 0.19 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.59 1jgi n TYR 620 Cb 0.19 -2.92 -0.04 0.00 -0.31 0.00 0.00 39.34 36.26 1jgi n TYR 620 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1jgi s GLN 621 N -3.83 3.87 -0.03 -0.72 0.74 -0.10 -4.68 119.66 114.90 1jgi s GLN 621 Ca 0.00 1.35 0.05 0.00 0.05 0.00 0.00 55.36 56.82 1jgi s GLN 621 Cb 0.00 -2.14 -0.01 0.00 1.10 0.00 0.00 33.01 31.96 1jgi s GLN 621 CO 0.00 -0.37 -0.19 0.54 -0.55 0.00 0.00 175.29 174.72 1jgi s VAL 622 N -1.97 1.53 -0.03 1.34 0.11 -1.26 -1.48 120.40 118.65 1jgi s VAL 622 Ca 0.66 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 1jgi s VAL 622 Cb -0.16 -1.30 -0.00 0.00 -1.53 0.00 0.00 36.38 33.39 1jgi s VAL 622 CO 0.20 0.44 -0.14 -0.04 -3.33 0.00 0.00 175.10 172.22 1jgi s MET 623 N -0.16 1.38 -0.53 1.54 -1.94 -0.21 -4.74 119.30 114.65 1jgi s MET 623 Ca 0.00 -0.50 0.04 0.00 -1.71 0.00 0.00 55.69 53.52 1jgi s MET 623 Cb -0.10 -1.26 0.14 0.00 2.01 0.00 0.00 34.83 35.62 1jgi s MET 623 CO 0.01 0.23 0.29 -1.58 -0.01 0.00 0.00 175.02 173.96 1jgi s TRP 624 N -0.03 2.97 -0.09 -0.03 0.51 -1.26 -0.97 118.94 120.05 1jgi s TRP 624 Ca -0.01 -3.04 -0.22 0.00 -2.12 0.00 0.00 56.10 50.70 1jgi s TRP 624 Cb -0.09 -2.59 -0.04 0.00 -0.81 0.00 0.00 33.47 29.94 1jgi s TRP 624 CO 0.01 -0.72 0.66 -0.51 -0.51 0.00 0.00 176.95 175.88 1jgi s LEU 625 N -0.33 4.30 -0.58 2.99 1.43 0.24 -0.97 118.68 125.75 1jgi s LEU 625 Ca 0.18 1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 54.16 1jgi s LEU 625 Cb -0.22 -3.01 0.05 0.00 0.03 0.00 0.00 46.19 43.04 1jgi s LEU 625 CO -0.03 -0.11 0.90 -1.61 0.23 0.00 0.00 176.35 175.73 1jgi s GLU 626 N 0.87 3.22 0.00 1.70 2.02 -0.61 0.06 118.70 125.95 1jgi s GLU 626 Ca 0.35 -0.56 0.25 0.00 0.02 0.00 0.00 54.97 55.02 1jgi s GLU 626 Cb -0.17 -4.12 0.46 0.00 0.10 0.00 0.00 34.13 30.40 1jgi s GLU 626 CO 0.16 -1.56 1.41 0.44 0.02 0.00 0.00 175.26 175.73 1jgi n ILE 627 N 6.01 0.08 -1.92 -1.63 -5.35 -0.29 -4.08 119.36 112.17 1jgi n ILE 627 Ca -0.02 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1jgi n ILE 627 Cb 0.46 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 1jgi n ILE 627 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79