#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ee1 h MET 2 N 0.00 0.57 -0.76 -1.46 0.00 -2.03 0.96 114.93 112.22 1ee1 h MET 2 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 59.70 59.68 1ee1 h MET 2 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 31.60 31.43 1ee1 h MET 2 CO 0.00 0.38 0.49 0.37 0.00 0.00 0.00 176.91 178.15 1ee1 h GLN 3 N 0.59 0.96 -0.39 1.72 4.15 -1.98 0.99 115.11 121.15 1ee1 h GLN 3 Ca 0.22 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.45 1ee1 h GLN 3 Cb 0.06 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1ee1 h GLN 3 CO -0.12 0.63 -0.30 0.93 -1.93 0.00 0.00 178.83 178.05 1ee1 h GLU 4 N 0.99 0.84 -0.15 1.69 5.08 -1.84 -1.08 114.58 120.10 1ee1 h GLU 4 Ca 0.29 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1ee1 h GLU 4 Cb -0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ee1 h GLU 4 CO -0.08 1.02 0.02 -0.22 -1.00 0.00 0.00 179.01 178.75 1ee1 h LYS 5 N 0.71 0.25 -0.19 2.33 3.64 -0.15 -1.13 116.57 122.02 1ee1 h LYS 5 Ca 0.08 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ee1 h LYS 5 Cb 0.85 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1ee1 h LYS 5 CO 0.07 0.44 0.12 0.82 -2.27 0.00 0.00 179.45 178.64 1ee1 h ILE 6 N 0.02 1.05 -1.00 2.00 2.04 -0.81 -0.41 117.51 120.41 1ee1 h ILE 6 Ca 0.04 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1ee1 h ILE 6 Cb 0.31 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1ee1 h ILE 6 CO 0.00 0.05 0.63 -0.03 0.00 0.00 0.00 178.15 178.81 1ee1 h MET 7 N 0.25 1.06 -0.10 2.37 4.05 -1.08 0.41 114.93 121.89 1ee1 h MET 7 Ca 0.07 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1ee1 h MET 7 Cb -0.02 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.53 1ee1 h MET 7 CO -0.01 0.70 -0.07 -0.09 0.23 0.00 0.00 176.91 177.67 1ee1 h ARG 8 N 1.10 0.23 -0.12 0.39 2.43 -0.79 -1.57 114.38 116.05 1ee1 h ARG 8 Ca 0.45 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.46 1ee1 h ARG 8 Cb 0.29 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1ee1 h ARG 8 CO -0.21 0.61 -0.20 0.93 -1.51 0.00 0.00 179.97 179.59 1ee1 h GLU 9 N -0.15 0.19 -0.04 0.20 5.08 -0.37 -2.18 114.58 117.32 1ee1 h GLU 9 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ee1 h GLU 9 Cb 0.55 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ee1 h GLU 9 CO 0.02 0.39 0.00 1.28 -1.00 0.00 0.00 179.01 179.70 1ee1 n LEU 10 N -4.23 1.78 -3.46 1.33 4.77 0.07 -4.95 117.00 112.31 1ee1 n LEU 10 Ca -0.01 -0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 55.13 1ee1 n LEU 10 Cb 0.31 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1ee1 n LEU 10 CO 0.38 0.30 0.20 1.41 -1.33 0.00 0.00 177.39 178.36 1ee1 n HIS 11 N 0.39 -2.70 -3.20 -1.77 8.25 -0.82 -3.19 115.22 112.18 1ee1 n HIS 11 Ca 0.18 0.92 -0.39 0.00 -0.26 0.00 0.00 57.72 58.17 1ee1 n HIS 11 Cb 0.39 -4.92 -0.06 0.00 1.12 0.00 0.00 29.99 26.53 1ee1 n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ee1 s VAL 12 N -3.29 4.64 -0.10 1.59 1.01 -0.64 -4.43 120.40 119.17 1ee1 s VAL 12 Ca 0.53 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.83 1ee1 s VAL 12 Cb -0.23 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1ee1 s VAL 12 CO 0.66 0.55 0.01 -0.54 0.00 0.00 0.00 175.10 175.77 1ee1 s LYS 13 N -1.11 3.18 0.37 2.72 1.02 -1.26 -4.80 119.74 119.86 1ee1 s LYS 13 Ca 0.31 -0.40 0.07 0.00 0.02 0.00 0.00 55.97 55.97 1ee1 s LYS 13 Cb -0.20 -2.87 0.78 0.00 -0.52 0.00 0.00 37.83 35.02 1ee1 s LYS 13 CO 0.21 0.62 1.96 -1.00 -0.92 0.00 0.00 175.35 176.21 1ee1 h PRO 14 N 5.46 0.69 -3.84 -1.68 0.13 -1.90 -3.43 132.00 127.44 1ee1 h PRO 14 Ca -0.48 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.48 1ee1 h PRO 14 Cb 1.19 -0.16 -0.18 0.00 0.13 0.00 0.00 31.00 31.99 1ee1 h PRO 14 CO 0.57 0.46 -0.54 -1.54 -0.23 0.00 0.00 178.00 176.71 1ee1 s SER 15 N -6.19 0.20 0.15 1.44 1.04 -1.26 -4.96 113.70 104.13 1ee1 s SER 15 Ca -0.09 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.81 1ee1 s SER 15 Cb 0.19 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1ee1 s SER 15 CO 0.77 -0.50 -0.06 0.27 0.98 0.00 0.00 173.24 174.70 1ee1 s ILE 16 N -2.60 0.92 -0.43 -1.02 -4.36 -1.26 -5.09 121.20 107.36 1ee1 s ILE 16 Ca -0.05 -2.01 -0.10 0.00 -0.26 0.00 0.00 60.65 58.23 1ee1 s ILE 16 Cb -0.01 -1.94 0.08 0.00 1.25 0.00 0.00 42.46 41.84 1ee1 s ILE 16 CO -0.05 -0.65 0.27 -0.62 0.24 0.00 0.00 174.94 174.13 1ee1 s ASP 17 N -3.16 5.68 0.27 4.36 -1.08 -1.26 -4.99 116.67 116.49 1ee1 s ASP 17 Ca 0.19 -1.51 -0.01 0.00 -0.52 0.00 0.00 52.55 50.70 1ee1 s ASP 17 Cb 0.04 -2.00 0.52 0.00 -1.46 0.00 0.00 42.92 40.02 1ee1 s ASP 17 CO 0.01 -0.55 1.80 1.55 0.52 0.00 0.00 175.17 178.50 1ee1 h PRO 18 N 8.43 0.80 -0.31 4.34 0.13 -1.97 -0.10 132.00 143.32 1ee1 h PRO 18 Ca -0.23 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1ee1 h PRO 18 Cb 1.08 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1ee1 h PRO 18 CO 0.77 0.53 0.12 -0.22 -0.23 0.00 0.00 178.00 178.97 1ee1 h LYS 19 N 0.82 0.47 -0.27 0.86 3.64 -1.96 -1.96 116.57 118.17 1ee1 h LYS 19 Ca 0.47 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.64 1ee1 h LYS 19 Cb 0.53 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1ee1 h LYS 19 CO -0.29 0.48 -0.34 0.37 -2.27 0.00 0.00 179.45 177.39 1ee1 h GLN 20 N 0.36 0.60 -0.51 1.90 5.75 -1.84 -2.49 115.11 118.88 1ee1 h GLN 20 Ca 0.10 -0.28 -0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1ee1 h GLN 20 Cb 0.18 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1ee1 h GLN 20 CO -0.01 0.86 0.31 0.93 -2.65 0.00 0.00 178.83 178.27 1ee1 h GLU 21 N 0.51 0.69 -0.24 1.69 4.39 -0.84 0.60 114.58 121.38 1ee1 h GLU 21 Ca 0.05 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1ee1 h GLU 21 Cb 0.83 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1ee1 h GLU 21 CO 0.07 0.51 0.15 0.82 -1.16 0.00 0.00 179.01 179.40 1ee1 h ILE 22 N 0.68 1.04 -0.05 3.13 2.04 -1.21 -0.88 117.51 122.27 1ee1 h ILE 22 Ca 0.18 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1ee1 h ILE 22 Cb -0.00 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1ee1 h ILE 22 CO -0.03 0.06 0.03 -0.08 0.00 0.00 0.00 178.15 178.12 1ee1 h GLU 23 N 0.31 0.05 -0.48 2.37 4.81 -1.03 0.27 114.58 120.89 1ee1 h GLU 23 Ca 0.09 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1ee1 h GLU 23 Cb -0.02 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1ee1 h GLU 23 CO -0.03 0.04 0.31 -0.44 -0.73 0.00 0.00 179.01 178.15 1ee1 h ASP 24 N 0.06 0.52 -0.09 1.04 3.32 -0.78 -0.23 116.42 120.25 1ee1 h ASP 24 Ca 0.02 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1ee1 h ASP 24 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1ee1 h ASP 24 CO -0.01 0.37 -0.41 0.03 -1.72 0.00 0.00 179.24 177.50 1ee1 h ARG 25 N 0.62 0.62 -0.58 3.56 3.08 -0.99 0.25 114.38 120.95 1ee1 h ARG 25 Ca 0.18 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 1ee1 h ARG 25 Cb -0.04 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1ee1 h ARG 25 CO -0.06 0.92 -0.04 0.28 -1.07 0.00 0.00 179.97 180.01 1ee1 h VAL 26 N 0.51 1.27 -0.43 2.04 2.07 -0.80 -2.10 116.25 118.80 1ee1 h VAL 26 Ca 0.04 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 1ee1 h VAL 26 Cb 0.93 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1ee1 h VAL 26 CO 0.08 0.43 -0.02 0.78 0.02 0.00 0.00 177.57 178.86 1ee1 h ASN 27 N 0.94 0.69 -0.32 0.57 2.35 -0.72 -1.17 115.58 117.92 1ee1 h ASN 27 Ca 0.16 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1ee1 h ASN 27 Cb 0.59 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1ee1 h ASN 27 CO 0.04 0.77 0.11 0.15 -1.65 0.00 0.00 177.43 176.85 1ee1 h PHE 28 N 0.67 0.50 -0.45 1.19 3.57 -0.62 0.87 116.94 122.66 1ee1 h PHE 28 Ca 0.13 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1ee1 h PHE 28 Cb 0.45 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1ee1 h PHE 28 CO 0.02 0.49 0.25 -0.07 -2.23 0.00 0.00 178.31 176.77 1ee1 h LEU 29 N 0.36 0.57 -0.52 0.59 3.38 -0.93 -0.25 115.31 118.51 1ee1 h LEU 29 Ca 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ee1 h LEU 29 Cb 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1ee1 h LEU 29 CO -0.01 0.49 0.25 0.11 0.09 0.00 0.00 178.44 179.38 1ee1 h LYS 30 N 0.60 0.75 -0.47 1.13 1.57 -1.06 -1.62 116.57 117.47 1ee1 h LYS 30 Ca 0.16 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1ee1 h LYS 30 Cb 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1ee1 h LYS 30 CO -0.03 0.62 0.16 0.37 -0.57 0.00 0.00 179.45 180.01 1ee1 h GLN 31 N 0.70 0.72 -0.20 3.15 4.15 -0.53 -1.51 115.11 121.59 1ee1 h GLN 31 Ca 0.18 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1ee1 h GLN 31 Cb 0.11 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1ee1 h GLN 31 CO -0.02 0.67 0.05 -0.92 -1.93 0.00 0.00 178.83 176.68 1ee1 h TYR 32 N 0.63 0.35 -0.88 3.99 3.20 -0.91 -0.36 116.97 122.98 1ee1 h TYR 32 Ca 0.15 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1ee1 h TYR 32 Cb 0.24 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1ee1 h TYR 32 CO 0.01 0.45 0.57 -0.24 -1.64 0.00 0.00 178.16 177.31 1ee1 h VAL 33 N 0.14 1.23 -0.51 1.81 3.04 -1.23 -1.51 116.25 119.23 1ee1 h VAL 33 Ca 0.06 -0.44 -0.08 0.00 -1.01 0.00 0.00 66.70 65.23 1ee1 h VAL 33 Cb 0.28 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.50 1ee1 h VAL 33 CO 0.00 0.23 -0.01 0.11 -1.01 0.00 0.00 177.57 176.89 1ee1 h LYS 34 N 1.19 0.91 -0.66 4.17 1.57 -1.01 0.06 116.57 122.80 1ee1 h LYS 34 Ca 0.32 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ee1 h LYS 34 Cb -0.12 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1ee1 h LYS 34 CO -0.07 0.94 0.43 0.87 -0.57 0.00 0.00 179.45 181.06 1ee1 h LYS 35 N 0.78 0.88 0.00 3.15 1.79 -0.67 -3.12 116.57 119.38 1ee1 h LYS 35 Ca 0.14 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 1ee1 h LYS 35 Cb 0.54 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1ee1 h LYS 35 CO 0.03 0.59 -0.51 1.79 -1.08 0.00 0.00 179.45 180.28 1ee1 h THR 36 N 0.90 0.37 -0.01 -0.16 1.35 -1.11 -3.48 112.91 110.77 1ee1 h THR 36 Ca 0.24 -1.56 -0.01 0.00 -0.55 0.00 0.00 66.41 64.54 1ee1 h THR 36 Cb -0.09 2.08 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1ee1 h THR 36 CO -0.05 0.21 -0.01 0.61 -0.25 0.00 0.00 175.52 176.04 1ee1 n GLY 37 N 1.19 0.47 3.74 5.82 0.00 -0.01 -5.02 105.19 111.38 1ee1 n GLY 37 Ca 0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1ee1 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ee1 s ALA 38 N -1.97 1.88 -2.27 4.61 0.00 -1.19 -4.96 121.76 117.86 1ee1 s ALA 38 Ca 0.00 0.17 0.27 0.00 0.00 0.00 0.00 51.96 52.40 1ee1 s ALA 38 Cb 0.00 -3.26 0.81 0.00 0.00 0.00 0.00 23.12 20.67 1ee1 s ALA 38 CO 0.00 -2.10 1.60 1.63 0.00 0.00 0.00 175.76 176.89 1ee1 n LYS 39 N -3.74 1.43 -0.63 0.00 4.76 0.38 -4.86 118.16 115.49 1ee1 n LYS 39 Ca 0.08 -0.90 0.00 0.00 -2.87 0.00 0.00 58.31 54.62 1ee1 n LYS 39 Cb 0.54 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 1ee1 n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ee1 n GLY 40 N 1.26 0.14 3.17 0.72 0.00 -1.25 -1.82 105.19 107.41 1ee1 n GLY 40 Ca 0.16 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1ee1 n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ee1 s PHE 41 N -3.69 0.98 -0.02 1.61 0.40 -0.58 -0.83 117.98 115.85 1ee1 s PHE 41 Ca 0.00 -0.77 0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1ee1 s PHE 41 Cb 0.00 -0.54 -0.00 0.00 0.51 0.00 0.00 43.02 42.98 1ee1 s PHE 41 CO 0.00 -0.06 -0.11 0.54 0.70 0.00 0.00 175.22 176.29 1ee1 s VAL 42 N -2.99 0.88 -0.11 -0.44 0.11 -0.06 -1.08 120.40 116.71 1ee1 s VAL 42 Ca 0.08 -0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 58.63 1ee1 s VAL 42 Cb 0.01 -0.76 0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1ee1 s VAL 42 CO -0.02 0.26 0.26 -0.22 -3.33 0.00 0.00 175.10 172.06 1ee1 s LEU 43 N 0.01 0.52 0.01 2.54 2.96 -0.69 -1.66 118.68 122.37 1ee1 s LEU 43 Ca -0.00 0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 54.16 1ee1 s LEU 43 Cb -0.07 0.83 -0.04 0.00 0.50 0.00 0.00 46.19 47.41 1ee1 s LEU 43 CO 0.00 -0.15 1.17 -0.83 -1.32 0.00 0.00 176.35 175.22 1ee1 s GLY 44 N 0.98 2.36 -0.29 7.98 0.00 -1.26 -0.90 107.32 116.18 1ee1 s GLY 44 Ca -0.07 0.72 -0.08 0.00 0.00 0.00 0.00 44.72 45.29 1ee1 s GLY 44 CO -0.07 2.06 0.11 -0.42 0.00 0.00 0.00 173.10 174.78 1ee1 s ILE 45 N 1.51 4.28 -0.82 0.90 -1.09 0.86 -4.87 121.20 121.97 1ee1 s ILE 45 Ca 0.57 -0.49 0.17 0.00 -2.23 0.00 0.00 60.65 58.67 1ee1 s ILE 45 Cb -0.26 -3.16 -0.19 0.00 -1.58 0.00 0.00 42.46 37.27 1ee1 s ILE 45 CO 0.26 0.12 0.74 -1.54 -1.23 0.00 0.00 174.94 173.30 1ee1 n SER 46 N 4.92 0.83 0.00 3.58 3.41 -1.26 -4.45 113.62 120.65 1ee1 n SER 46 Ca -0.15 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1ee1 n SER 46 Cb 0.49 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1ee1 n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ee1 n GLY 47 N 1.41 0.61 3.88 5.00 0.00 -1.26 -4.40 105.19 110.44 1ee1 n GLY 47 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1ee1 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ee1 s GLY 48 N -2.04 1.63 0.16 -0.02 0.00 -1.26 -4.70 107.32 101.09 1ee1 s GLY 48 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 44.72 44.23 1ee1 s GLY 48 CO 0.00 0.03 1.64 -1.61 0.00 0.00 0.00 173.10 173.16 1ee1 h GLN 49 N -0.44 -0.17 -0.09 2.90 4.15 -1.97 -2.08 115.11 117.41 1ee1 h GLN 49 Ca -0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1ee1 h GLN 49 Cb 1.23 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 1ee1 h GLN 49 CO 0.63 -0.12 0.06 -0.44 -1.93 0.00 0.00 178.83 177.03 1ee1 h ASP 50 N -0.18 0.11 0.67 -0.69 3.32 -1.92 -1.48 116.42 116.24 1ee1 h ASP 50 Ca 0.16 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1ee1 h ASP 50 Cb 0.43 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ee1 h ASP 50 CO -0.42 0.09 -0.47 0.77 -1.72 0.00 0.00 179.24 177.49 1ee1 h SER 51 N 0.12 0.00 -0.42 6.45 4.64 -1.89 -0.09 113.55 122.36 1ee1 h SER 51 Ca 0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1ee1 h SER 51 Cb -0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1ee1 h SER 51 CO -0.01 0.47 -0.18 0.74 -0.87 0.00 0.00 176.83 176.99 1ee1 h THR 52 N 0.00 1.28 0.10 2.95 2.02 -1.15 0.66 112.91 118.76 1ee1 h THR 52 Ca -0.00 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 1ee1 h THR 52 Cb 0.93 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1ee1 h THR 52 CO 0.06 0.44 -0.05 0.25 0.37 0.00 0.00 175.52 176.60 1ee1 h LEU 53 N 0.69 -0.11 -1.05 2.58 5.85 -0.99 -1.77 115.31 120.50 1ee1 h LEU 53 Ca 0.10 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1ee1 h LEU 53 Cb 0.73 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1ee1 h LEU 53 CO 0.06 0.27 0.64 0.00 -0.34 0.00 0.00 178.44 179.07 1ee1 h ALA 54 N 0.33 1.38 -0.38 1.25 0.00 -1.03 -1.59 119.26 119.22 1ee1 h ALA 54 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ee1 h ALA 54 Cb 0.42 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ee1 h ALA 54 CO 0.02 0.52 0.14 0.78 0.00 0.00 0.00 179.25 180.72 1ee1 h GLY 55 N 1.22 0.62 1.05 0.00 0.00 -0.78 -0.96 103.07 104.22 1ee1 h GLY 55 Ca 0.39 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1ee1 h GLY 55 CO -0.13 0.33 0.05 -0.09 0.00 0.00 0.00 176.54 176.70 1ee1 h ARG 56 N 0.47 1.02 -0.65 4.80 9.65 -0.97 -0.93 114.38 127.77 1ee1 h ARG 56 Ca 0.13 -0.30 -0.03 0.00 -1.10 0.00 0.00 59.98 58.68 1ee1 h ARG 56 Cb 0.21 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 1ee1 h ARG 56 CO -0.01 0.98 0.29 -0.07 2.80 0.00 0.00 179.97 183.97 1ee1 h LEU 57 N 0.92 0.85 -0.42 3.80 3.38 -1.06 -0.98 115.31 121.81 1ee1 h LEU 57 Ca 0.18 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ee1 h LEU 57 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ee1 h LEU 57 CO 0.02 0.74 0.04 0.00 0.09 0.00 0.00 178.44 179.33 1ee1 h ALA 58 N 1.39 0.56 -0.70 1.53 0.00 -0.79 -1.10 119.26 120.15 1ee1 h ALA 58 Ca 0.23 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ee1 h ALA 58 Cb 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ee1 h ALA 58 CO -0.03 0.30 0.25 0.37 0.00 0.00 0.00 179.25 180.14 1ee1 h GLN 59 N 0.55 1.07 -0.62 0.00 5.75 -0.79 -1.48 115.11 119.60 1ee1 h GLN 59 Ca 0.12 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.33 1ee1 h GLN 59 Cb 0.41 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 1ee1 h GLN 59 CO 0.01 0.91 0.08 -0.07 -2.65 0.00 0.00 178.83 177.10 1ee1 h LEU 60 N 1.01 0.99 -0.56 -2.39 3.38 -1.09 -1.62 115.31 115.03 1ee1 h LEU 60 Ca 0.23 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ee1 h LEU 60 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ee1 h LEU 60 CO -0.01 1.00 0.13 0.00 0.09 0.00 0.00 178.44 179.65 1ee1 h ALA 61 N 1.11 0.74 -0.44 1.53 0.00 -0.87 -0.21 119.26 121.12 1ee1 h ALA 61 Ca 0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1ee1 h ALA 61 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ee1 h ALA 61 CO 0.02 0.44 -0.20 0.28 0.00 0.00 0.00 179.25 179.78 1ee1 h VAL 62 N 0.80 1.27 -0.08 0.00 2.07 -1.14 -1.30 116.25 117.87 1ee1 h VAL 62 Ca 0.17 -1.34 -0.12 0.00 0.82 0.00 0.00 66.70 66.23 1ee1 h VAL 62 Cb 0.35 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ee1 h VAL 62 CO 0.00 0.45 -0.51 -0.33 0.02 0.00 0.00 177.57 177.21 1ee1 h GLU 63 N 0.76 0.20 -0.29 1.57 5.08 -1.12 -2.13 114.58 118.66 1ee1 h GLU 63 Ca 0.11 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1ee1 h GLU 63 Cb 0.74 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1ee1 h GLU 63 CO 0.06 0.67 -0.13 1.03 -1.00 0.00 0.00 179.01 179.64 1ee1 h SER 64 N 0.16 0.61 -0.69 1.42 0.87 -0.59 -2.04 113.55 113.28 1ee1 h SER 64 Ca 0.00 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.13 1ee1 h SER 64 Cb 0.96 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 1ee1 h SER 64 CO 0.08 0.87 0.31 0.40 -0.53 0.00 0.00 176.83 177.96 1ee1 h ILE 65 N 0.34 1.24 -0.02 2.23 2.04 -1.10 -1.81 117.51 120.43 1ee1 h ILE 65 Ca 0.07 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 1ee1 h ILE 65 Cb 0.64 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1ee1 h ILE 65 CO 0.04 0.28 -0.35 0.03 0.00 0.00 0.00 178.15 178.15 1ee1 h ARG 66 N 0.97 0.04 -0.43 2.37 3.08 -1.35 0.86 114.38 119.92 1ee1 h ARG 66 Ca 0.23 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 1ee1 h ARG 66 Cb 0.15 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1ee1 h ARG 66 CO -0.03 0.39 -0.01 1.49 -1.07 0.00 0.00 179.97 180.75 1ee1 h GLU 67 N 0.04 0.70 -0.07 0.04 4.81 -0.60 -0.44 114.58 119.07 1ee1 h GLU 67 Ca 0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1ee1 h GLU 67 Cb 0.64 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ee1 h GLU 67 CO 0.05 0.72 0.00 0.39 -0.73 0.00 0.00 179.01 179.44 1ee1 n GLU 68 N -4.23 1.16 -0.64 1.92 1.02 -0.81 -4.84 120.64 114.22 1ee1 n GLU 68 Ca 0.02 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1ee1 n GLU 68 Cb 0.29 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1ee1 n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ee1 n GLY 69 N 0.65 0.68 2.11 0.62 0.00 -0.17 -5.06 105.19 104.01 1ee1 n GLY 69 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ee1 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ee1 n GLY 70 N -2.64 0.56 3.01 -0.02 0.00 0.25 -4.97 105.19 101.38 1ee1 n GLY 70 Ca 0.00 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 1ee1 n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ee1 s ASP 71 N -3.24 3.03 -0.06 1.61 2.15 -1.26 -4.13 116.67 114.77 1ee1 s ASP 71 Ca 0.36 -0.68 -0.20 0.00 0.43 0.00 0.00 52.55 52.46 1ee1 s ASP 71 Cb -0.02 -1.21 0.04 0.00 -0.30 0.00 0.00 42.92 41.43 1ee1 s ASP 71 CO 0.24 -0.10 0.45 0.00 -0.17 0.00 0.00 175.17 175.60 1ee1 s ALA 72 N 1.44 -1.16 0.04 3.66 0.00 -1.26 -4.79 121.76 119.69 1ee1 s ALA 72 Ca 0.02 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 1ee1 s ALA 72 Cb -0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ee1 s ALA 72 CO -0.10 -0.28 0.06 1.14 0.00 0.00 0.00 175.76 176.58 1ee1 s GLN 73 N -0.95 0.55 -0.11 0.00 -2.07 -0.75 -4.89 119.66 111.44 1ee1 s GLN 73 Ca -0.10 -0.80 0.02 0.00 -1.82 0.00 0.00 55.36 52.66 1ee1 s GLN 73 Cb -0.03 0.21 0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1ee1 s GLN 73 CO 0.05 -0.13 -0.17 0.12 -1.32 0.00 0.00 175.29 173.84 1ee1 s PHE 74 N -2.63 2.10 -0.27 9.60 5.36 -1.26 -1.52 117.98 129.35 1ee1 s PHE 74 Ca -0.05 -0.98 -0.04 0.00 -0.96 0.00 0.00 56.93 54.91 1ee1 s PHE 74 Cb -0.01 -1.49 0.02 0.00 -0.34 0.00 0.00 43.02 41.20 1ee1 s PHE 74 CO -0.05 -0.48 -0.00 0.42 -1.46 0.00 0.00 175.22 173.65 1ee1 s ILE 75 N 0.89 3.29 -0.10 3.12 1.01 -0.24 -2.20 121.20 126.97 1ee1 s ILE 75 Ca -0.08 -0.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.45 1ee1 s ILE 75 Cb -0.15 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1ee1 s ILE 75 CO -0.00 0.11 0.41 0.00 0.00 0.00 0.00 174.94 175.46 1ee1 s ALA 76 N 1.38 3.57 -0.08 9.38 0.00 -0.27 -1.70 121.76 134.03 1ee1 s ALA 76 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1ee1 s ALA 76 Cb -0.17 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.45 1ee1 s ALA 76 CO -0.02 0.16 -0.15 0.08 0.00 0.00 0.00 175.76 175.84 1ee1 s VAL 77 N 0.11 1.36 0.06 0.00 1.01 -0.08 -0.37 120.40 122.49 1ee1 s VAL 77 Ca 0.23 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1ee1 s VAL 77 Cb -0.15 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.94 1ee1 s VAL 77 CO 0.09 0.41 0.67 -0.13 0.00 0.00 0.00 175.10 176.14 1ee1 s ARG 78 N 0.66 4.39 -0.53 2.72 0.52 -0.05 -0.09 118.95 126.56 1ee1 s ARG 78 Ca -0.14 0.91 0.07 0.00 -0.52 0.00 0.00 55.73 56.05 1ee1 s ARG 78 Cb -0.16 -3.31 0.31 0.00 0.52 0.00 0.00 34.95 32.32 1ee1 s ARG 78 CO 0.04 0.45 0.82 1.28 0.02 0.00 0.00 175.30 177.91 1ee1 n LEU 79 N 2.28 3.19 -4.79 2.53 4.77 -1.26 -1.13 117.00 122.58 1ee1 n LEU 79 Ca -0.06 -5.40 -0.33 0.00 -0.03 0.00 0.00 56.01 50.18 1ee1 n LEU 79 Cb 0.50 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1ee1 n LEU 79 CO 0.44 2.25 0.73 -2.16 -1.33 0.00 0.00 177.39 177.32 1ee1 s PRO 80 N -2.82 3.20 -0.91 3.23 0.04 -1.25 -4.73 135.00 131.76 1ee1 s PRO 80 Ca 0.44 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 1ee1 s PRO 80 Cb 0.25 -2.01 0.23 0.00 0.04 0.00 0.00 34.50 33.02 1ee1 s PRO 80 CO -0.10 -0.92 0.85 -1.58 0.04 0.00 0.00 177.00 175.30 1ee1 s HIS 81 N -2.32 3.92 0.00 0.56 2.46 -1.26 -1.19 115.29 117.46 1ee1 s HIS 81 Ca 0.66 -2.47 0.00 0.00 0.47 0.00 0.00 55.06 53.72 1ee1 s HIS 81 Cb -0.18 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.60 1ee1 s HIS 81 CO 0.36 -0.92 0.00 0.41 -2.47 0.00 0.00 174.74 172.12 1ee1 n GLY 82 N 3.23 2.80 0.00 1.59 0.00 -1.26 -4.83 105.19 106.72 1ee1 n GLY 82 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ee1 n GLY 82 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ee1 n GLU 87 N -1.03 0.00 -0.20 1.61 4.07 -1.26 -5.01 120.64 118.82 1ee1 n GLU 87 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 1ee1 n GLU 87 Cb 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 31.49 1ee1 n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1ee1 h ASP 88 N 0.00 0.03 -0.14 4.31 5.19 -1.99 0.06 116.42 123.88 1ee1 h ASP 88 Ca 0.00 0.11 -0.14 0.00 -0.62 0.00 0.00 57.03 56.37 1ee1 h ASP 88 Cb 0.00 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1ee1 h ASP 88 CO 0.00 0.02 -0.42 0.44 -3.12 0.00 0.00 179.24 176.17 1ee1 h ASP 89 N 0.28 0.73 -0.66 6.45 3.45 -1.92 -1.88 116.42 122.87 1ee1 h ASP 89 Ca 0.32 -0.33 -0.04 0.00 0.43 0.00 0.00 57.03 57.41 1ee1 h ASP 89 Cb 0.47 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.01 1ee1 h ASP 89 CO -0.40 1.05 0.26 0.00 -1.57 0.00 0.00 179.24 178.58 1ee1 h ALA 90 N 0.98 1.18 -0.32 3.45 0.00 -1.53 0.59 119.26 123.62 1ee1 h ALA 90 Ca 0.04 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1ee1 h ALA 90 Cb 0.95 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ee1 h ALA 90 CO 0.09 0.59 -0.24 1.96 0.00 0.00 0.00 179.25 181.65 1ee1 h GLN 91 N 0.99 0.62 -0.26 0.00 1.08 -0.85 -0.51 115.11 116.17 1ee1 h GLN 91 Ca 0.23 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1ee1 h GLN 91 Cb 0.21 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1ee1 h GLN 91 CO -0.02 0.80 -0.05 1.25 -0.95 0.00 0.00 178.83 179.87 1ee1 h LEU 92 N 0.54 0.49 -0.26 1.46 6.46 -0.53 -1.82 115.31 121.65 1ee1 h LEU 92 Ca 0.08 -0.35 0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1ee1 h LEU 92 Cb 0.70 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.45 1ee1 h LEU 92 CO 0.05 0.73 0.01 0.00 -0.62 0.00 0.00 178.44 178.61 1ee1 h ALA 93 N 0.78 0.24 -0.87 1.25 0.00 -0.60 -1.50 119.26 118.56 1ee1 h ALA 93 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1ee1 h ALA 93 Cb 0.50 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1ee1 h ALA 93 CO 0.02 -0.41 0.56 -0.07 0.00 0.00 0.00 179.25 179.36 1ee1 h LEU 94 N 0.10 0.92 -1.41 0.00 3.38 -0.98 0.21 115.31 117.53 1ee1 h LEU 94 Ca 0.12 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1ee1 h LEU 94 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1ee1 h LEU 94 CO -0.20 0.62 0.01 0.11 0.09 0.00 0.00 178.44 179.07 1ee1 h LYS 95 N 1.07 0.40 0.10 1.13 1.57 -0.46 0.43 116.57 120.81 1ee1 h LYS 95 Ca 0.35 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.90 1ee1 h LYS 95 Cb 0.04 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.30 1ee1 h LYS 95 CO -0.13 0.42 -0.72 0.35 -0.57 0.00 0.00 179.45 178.80 1ee1 h PHE 96 N 0.39 0.53 -0.39 -1.35 3.57 -0.30 -3.36 116.94 116.03 1ee1 h PHE 96 Ca 0.09 -0.36 -0.09 0.00 3.53 0.00 0.00 57.97 61.14 1ee1 h PHE 96 Cb 0.24 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1ee1 h PHE 96 CO 0.01 1.25 -0.11 0.82 -2.23 0.00 0.00 178.31 178.04 1ee1 h ILE 97 N -0.33 1.28 -5.80 1.41 2.04 -0.52 -3.48 117.51 112.10 1ee1 h ILE 97 Ca -0.12 -1.21 -0.33 0.00 1.00 0.00 0.00 64.86 64.20 1ee1 h ILE 97 Cb 1.53 1.25 0.14 0.00 -0.74 0.00 0.00 36.82 39.00 1ee1 h ILE 97 CO 0.14 0.40 -0.88 0.29 0.00 0.00 0.00 178.15 178.10 1ee1 n LYS 98 N -4.33 -2.32 -1.71 2.37 5.02 0.13 -4.85 118.16 112.47 1ee1 n LYS 98 Ca -0.01 0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 56.64 1ee1 n LYS 98 Cb 0.37 -5.16 0.06 0.00 -0.02 0.00 0.00 35.03 30.28 1ee1 n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ee1 s PRO 99 N -5.15 2.66 0.23 1.97 0.04 -1.26 -4.91 135.00 128.57 1ee1 s PRO 99 Ca 0.40 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 1ee1 s PRO 99 Cb -0.09 -1.92 0.33 0.00 0.04 0.00 0.00 34.50 32.86 1ee1 s PRO 99 CO 0.79 -1.38 1.80 -0.44 0.04 0.00 0.00 177.00 177.81 1ee1 h ASP 100 N 0.05 0.57 -4.27 6.66 3.32 -1.91 -3.42 116.42 117.42 1ee1 h ASP 100 Ca -0.47 0.05 -0.33 0.00 0.02 0.00 0.00 57.03 56.30 1ee1 h ASP 100 Cb 1.26 -0.06 -0.25 0.00 0.22 0.00 0.00 39.33 40.50 1ee1 h ASP 100 CO 0.53 0.34 -0.75 -0.54 -1.72 0.00 0.00 179.24 177.10 1ee1 s LYS 101 N -6.06 0.54 -0.27 3.56 1.02 -0.93 -5.02 119.74 112.58 1ee1 s LYS 101 Ca -0.13 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.40 1ee1 s LYS 101 Cb 0.18 -0.45 0.08 0.00 -0.52 0.00 0.00 37.83 37.12 1ee1 s LYS 101 CO 0.77 0.11 0.02 0.45 -0.92 0.00 0.00 175.35 175.78 1ee1 s SER 102 N -0.76 3.90 0.51 2.83 0.15 -1.26 -1.11 113.70 117.96 1ee1 s SER 102 Ca -0.02 -1.41 0.07 0.00 0.70 0.00 0.00 55.95 55.28 1ee1 s SER 102 Cb -0.06 -1.06 0.02 0.00 -1.71 0.00 0.00 66.02 63.22 1ee1 s SER 102 CO 0.00 -0.32 0.43 0.26 1.20 0.00 0.00 173.24 174.81 1ee1 s TRP 103 N 1.46 1.95 -0.09 3.44 0.52 0.51 -4.99 118.94 121.73 1ee1 s TRP 103 Ca 0.02 -0.72 -0.10 0.00 0.02 0.00 0.00 56.10 55.32 1ee1 s TRP 103 Cb -0.18 -2.02 0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1ee1 s TRP 103 CO -0.13 -0.43 0.27 0.21 0.02 0.00 0.00 176.95 176.90 1ee1 s LYS 104 N -4.27 0.36 -0.22 4.98 2.20 -1.26 -0.87 119.74 120.65 1ee1 s LYS 104 Ca 0.42 0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 56.29 1ee1 s LYS 104 Cb -0.03 0.17 0.09 0.00 -1.51 0.00 0.00 37.83 36.55 1ee1 s LYS 104 CO 0.25 -0.05 0.15 0.12 -0.36 0.00 0.00 175.35 175.46 1ee1 s PHE 105 N -0.03 0.06 -0.21 4.03 5.36 -0.29 -4.92 117.98 121.99 1ee1 s PHE 105 Ca -0.02 -0.34 -0.29 0.00 -0.96 0.00 0.00 56.93 55.32 1ee1 s PHE 105 Cb -0.02 -0.66 0.00 0.00 -0.34 0.00 0.00 43.02 42.00 1ee1 s PHE 105 CO 0.01 -0.66 1.08 0.34 -1.46 0.00 0.00 175.22 174.52 1ee1 s ASP 106 N 2.19 7.08 0.00 6.13 -1.08 -1.26 -3.79 116.67 125.95 1ee1 s ASP 106 Ca 0.06 1.45 0.28 0.00 -0.52 0.00 0.00 52.55 53.81 1ee1 s ASP 106 Cb -0.16 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 39.83 1ee1 s ASP 106 CO -0.20 -0.67 1.75 2.30 0.52 0.00 0.00 175.17 178.87 1ee1 n ILE 107 N 5.28 0.00 -0.03 4.11 -5.35 -0.33 -4.50 119.36 118.53 1ee1 n ILE 107 Ca 0.12 -0.17 -0.08 0.00 -0.27 0.00 0.00 62.75 62.35 1ee1 n ILE 107 Cb 0.46 0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.65 1ee1 n ILE 107 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1ee1 h LYS 108 N 1.60 -0.13 -0.26 6.28 3.64 -1.88 -0.87 116.57 124.95 1ee1 h LYS 108 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1ee1 h LYS 108 Cb 0.44 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1ee1 h LYS 108 CO 0.00 -0.09 0.04 0.66 -2.27 0.00 0.00 179.45 177.79 1ee1 h SER 109 N -0.13 0.35 -0.05 4.20 4.64 -1.97 0.17 113.55 120.75 1ee1 h SER 109 Ca 0.12 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1ee1 h SER 109 Cb 0.31 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1ee1 h SER 109 CO -0.28 0.38 -0.10 0.74 -0.87 0.00 0.00 176.83 176.70 1ee1 h THR 110 N 0.38 1.43 -0.75 2.95 2.02 -1.76 -2.17 112.91 115.01 1ee1 h THR 110 Ca 0.09 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.81 1ee1 h THR 110 Cb 0.20 2.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.84 1ee1 h THR 110 CO 0.00 0.39 0.37 0.58 0.37 0.00 0.00 175.52 177.23 1ee1 h VAL 111 N -0.37 1.23 -0.39 3.16 2.07 -0.75 -1.70 116.25 119.51 1ee1 h VAL 111 Ca 0.00 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1ee1 h VAL 111 Cb 0.69 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1ee1 h VAL 111 CO 0.02 0.27 0.03 0.28 0.02 0.00 0.00 177.57 178.20 1ee1 h SER 112 N 1.06 0.65 -0.56 0.57 0.02 -0.69 0.25 113.55 114.85 1ee1 h SER 112 Ca 0.26 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1ee1 h SER 112 Cb 0.09 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1ee1 h SER 112 CO -0.04 0.77 0.29 0.00 -1.14 0.00 0.00 176.83 176.71 1ee1 h ALA 113 N 0.90 0.72 -0.38 3.77 0.00 -1.16 0.11 119.26 123.22 1ee1 h ALA 113 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ee1 h ALA 113 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ee1 h ALA 113 CO 0.01 0.25 0.17 0.35 0.00 0.00 0.00 179.25 180.04 1ee1 h PHE 114 N 0.75 0.56 -0.43 0.00 3.57 -1.11 -0.83 116.94 119.45 1ee1 h PHE 114 Ca 0.19 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1ee1 h PHE 114 Cb 0.08 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1ee1 h PHE 114 CO -0.01 0.49 0.26 1.03 -2.23 0.00 0.00 178.31 177.85 1ee1 h SER 115 N 0.47 0.51 -0.32 0.41 0.87 -0.58 0.16 113.55 115.07 1ee1 h SER 115 Ca 0.13 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1ee1 h SER 115 Cb 0.15 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1ee1 h SER 115 CO -0.01 0.41 0.01 0.44 -0.53 0.00 0.00 176.83 177.15 1ee1 h ASP 116 N 0.57 0.54 -0.98 6.23 3.32 -0.63 -2.27 116.42 123.20 1ee1 h ASP 116 Ca 0.15 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ee1 h ASP 116 Cb -0.01 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 1ee1 h ASP 116 CO -0.03 0.71 0.65 -0.61 -1.72 0.00 0.00 179.24 178.24 1ee1 h GLN 117 N 0.36 1.29 -0.35 3.56 5.75 -0.90 -0.11 115.11 124.71 1ee1 h GLN 117 Ca 0.09 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1ee1 h GLN 117 Cb 0.43 -0.29 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1ee1 h GLN 117 CO 0.01 0.85 0.19 -0.92 -2.65 0.00 0.00 178.83 176.32 1ee1 h TYR 118 N 1.33 0.49 -0.36 3.99 3.20 -0.44 -0.57 116.97 124.61 1ee1 h TYR 118 Ca 0.36 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 1ee1 h TYR 118 Cb -0.15 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 1ee1 h TYR 118 CO -0.00 0.39 0.19 0.37 -1.64 0.00 0.00 178.16 177.47 1ee1 h GLN 119 N 0.45 0.51 -0.32 1.82 4.15 -0.89 -0.71 115.11 120.11 1ee1 h GLN 119 Ca 0.12 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.50 1ee1 h GLN 119 Cb 0.07 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1ee1 h GLN 119 CO -0.02 0.43 0.17 1.96 -1.93 0.00 0.00 178.83 179.44 1ee1 h GLN 120 N 0.45 0.34 -0.12 1.69 4.20 -0.75 0.33 115.11 121.25 1ee1 h GLN 120 Ca 0.13 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 1ee1 h GLN 120 Cb 0.08 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ee1 h GLN 120 CO -0.02 0.23 -0.61 0.93 -0.67 0.00 0.00 178.83 178.69 1ee1 h GLU 121 N 0.35 0.42 0.00 1.46 4.39 -1.00 -3.37 114.58 116.84 1ee1 h GLU 121 Ca 0.13 -0.29 -0.18 0.00 0.34 0.00 0.00 59.36 59.36 1ee1 h GLU 121 Cb 0.02 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1ee1 h GLU 121 CO -0.07 0.90 -1.82 2.41 -1.16 0.00 0.00 179.01 179.27 1ee1 n THR 122 N -3.91 0.66 -0.53 1.13 -1.04 -0.28 -4.99 114.28 105.32 1ee1 n THR 122 Ca -0.03 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 1ee1 n THR 122 Cb 0.63 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 1ee1 n THR 122 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ee1 n GLY 123 N 2.08 0.77 3.63 3.41 0.00 0.12 -5.04 105.19 110.17 1ee1 n GLY 123 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1ee1 n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ee1 s ASP 124 N -3.00 4.72 -0.03 1.61 1.01 -1.25 -5.02 116.67 114.71 1ee1 s ASP 124 Ca 0.00 -0.28 -0.07 0.00 0.71 0.00 0.00 52.55 52.91 1ee1 s ASP 124 Cb 0.00 -1.02 -0.05 0.00 1.01 0.00 0.00 42.92 42.87 1ee1 s ASP 124 CO 0.00 0.17 0.23 0.00 0.21 0.00 0.00 175.17 175.79 1ee1 s GLN 125 N -2.29 3.55 0.05 8.23 -2.07 -1.26 -3.40 119.66 122.47 1ee1 s GLN 125 Ca 0.24 -0.08 -0.31 0.00 -1.82 0.00 0.00 55.36 53.39 1ee1 s GLN 125 Cb -0.11 -3.12 -0.07 0.00 -1.09 0.00 0.00 33.01 28.62 1ee1 s GLN 125 CO 0.16 0.69 1.43 -0.51 -1.32 0.00 0.00 175.29 175.74 1ee1 s LEU 126 N -1.52 4.34 0.82 2.60 1.43 -1.26 -5.00 118.68 120.09 1ee1 s LEU 126 Ca 0.24 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 1ee1 s LEU 126 Cb -0.13 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.61 1ee1 s LEU 126 CO 0.13 -0.72 1.10 0.42 0.23 0.00 0.00 176.35 177.51 1ee1 s THR 127 N 1.98 3.01 0.20 5.49 -4.23 -1.26 -4.74 115.64 116.09 1ee1 s THR 127 Ca 0.65 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 61.37 1ee1 s THR 127 Cb -0.34 -2.76 0.15 0.00 1.34 0.00 0.00 72.50 70.88 1ee1 s THR 127 CO 0.29 -0.43 1.68 0.44 -0.54 0.00 0.00 174.62 176.06 1ee1 h ASP 128 N -1.33 -0.18 -0.12 3.99 3.32 -1.98 0.10 116.42 120.23 1ee1 h ASP 128 Ca -0.45 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1ee1 h ASP 128 Cb 1.25 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1ee1 h ASP 128 CO 0.51 -0.06 0.06 0.15 -1.72 0.00 0.00 179.24 178.18 1ee1 h PHE 129 N 0.15 0.12 -0.12 4.55 3.57 -1.99 0.11 116.94 123.32 1ee1 h PHE 129 Ca 0.28 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 1ee1 h PHE 129 Cb 0.42 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1ee1 h PHE 129 CO -0.31 0.07 -0.35 -0.91 -2.23 0.00 0.00 178.31 174.58 1ee1 h ASN 130 N 0.14 0.25 0.57 0.41 2.35 -1.82 -1.63 115.58 115.84 1ee1 h ASN 130 Ca 0.05 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1ee1 h ASN 130 Cb -0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1ee1 h ASN 130 CO -0.02 0.59 -0.53 0.50 -1.65 0.00 0.00 177.43 176.32 1ee1 h LYS 131 N 0.21 0.00 -0.50 0.81 3.64 -0.43 -1.71 116.57 118.58 1ee1 h LYS 131 Ca 0.02 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1ee1 h LYS 131 Cb 0.73 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 1ee1 h LYS 131 CO 0.06 0.53 -0.08 0.78 -2.27 0.00 0.00 179.45 178.47 1ee1 h GLY 132 N 1.67 1.01 1.89 5.01 0.00 0.14 -1.98 103.07 110.82 1ee1 h GLY 132 Ca -0.01 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.44 1ee1 h GLY 132 CO 0.07 0.74 -0.35 3.43 0.00 0.00 0.00 176.54 180.43 1ee1 h ASN 133 N 0.79 0.13 -0.57 0.19 2.35 -1.06 -1.98 115.58 115.43 1ee1 h ASN 133 Ca 0.13 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 1ee1 h ASN 133 Cb 0.63 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1ee1 h ASN 133 CO 0.04 0.47 -0.07 0.58 -1.65 0.00 0.00 177.43 176.81 1ee1 h VAL 134 N 0.11 1.27 -0.40 2.81 2.07 -1.02 -1.15 116.25 119.93 1ee1 h VAL 134 Ca 0.01 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1ee1 h VAL 134 Cb 0.67 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1ee1 h VAL 134 CO 0.05 0.44 0.16 0.11 0.02 0.00 0.00 177.57 178.35 1ee1 h LYS 135 N 0.95 0.60 -0.82 1.57 1.57 -0.86 -0.06 116.57 119.53 1ee1 h LYS 135 Ca 0.15 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1ee1 h LYS 135 Cb 0.64 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1ee1 h LYS 135 CO 0.04 0.57 0.47 0.00 -0.57 0.00 0.00 179.45 179.96 1ee1 h ALA 136 N 1.00 1.04 -0.04 3.86 0.00 -1.21 -1.74 119.26 122.18 1ee1 h ALA 136 Ca 0.13 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1ee1 h ALA 136 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ee1 h ALA 136 CO -0.01 0.53 -0.56 0.00 0.00 0.00 0.00 179.25 179.21 1ee1 h ARG 137 N 1.13 0.11 -0.14 0.00 3.08 -0.94 -2.49 114.38 115.13 1ee1 h ARG 137 Ca 0.29 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 1ee1 h ARG 137 Cb -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ee1 h ARG 137 CO -0.05 0.64 -0.47 1.15 -1.07 0.00 0.00 179.97 180.17 1ee1 h THR 138 N 0.09 1.33 -0.65 2.04 2.02 -0.72 -1.51 112.91 115.50 1ee1 h THR 138 Ca -0.00 -1.67 -0.08 0.00 0.77 0.00 0.00 66.41 65.43 1ee1 h THR 138 Cb 1.02 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1ee1 h THR 138 CO 0.08 0.51 0.10 0.03 0.37 0.00 0.00 175.52 176.60 1ee1 h ARG 139 N 0.29 1.08 -0.29 6.66 3.08 -1.11 -1.68 114.38 122.42 1ee1 h ARG 139 Ca 0.02 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1ee1 h ARG 139 Cb 0.94 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1ee1 h ARG 139 CO 0.08 1.00 0.19 1.98 -1.07 0.00 0.00 179.97 182.14 1ee1 h MET 140 N 1.01 0.39 -0.82 0.04 4.05 -0.98 -1.98 114.93 116.64 1ee1 h MET 140 Ca 0.20 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.63 1ee1 h MET 140 Cb 0.44 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1ee1 h MET 140 CO 0.01 0.27 0.52 0.82 0.23 0.00 0.00 176.91 178.77 1ee1 h ILE 141 N 0.39 1.10 -0.59 1.77 2.04 -0.95 -1.22 117.51 120.06 1ee1 h ILE 141 Ca 0.11 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1ee1 h ILE 141 Cb -0.03 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 1ee1 h ILE 141 CO -0.02 0.18 0.19 0.00 0.00 0.00 0.00 178.15 178.50 1ee1 h ALA 142 N 1.36 0.77 -0.49 1.87 0.00 -1.04 0.10 119.26 121.83 1ee1 h ALA 142 Ca 0.34 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1ee1 h ALA 142 Cb 0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ee1 h ALA 142 CO -0.13 0.43 0.06 1.96 0.00 0.00 0.00 179.25 181.57 1ee1 h GLN 143 N 0.83 0.83 -0.05 0.00 4.20 -0.95 -1.94 115.11 118.03 1ee1 h GLN 143 Ca 0.19 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1ee1 h GLN 143 Cb 0.27 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1ee1 h GLN 143 CO -0.01 0.84 -0.50 1.88 -0.67 0.00 0.00 178.83 180.37 1ee1 h TYR 144 N 0.70 0.15 -0.31 2.96 -1.99 -1.04 0.95 116.97 118.39 1ee1 h TYR 144 Ca 0.15 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 1ee1 h TYR 144 Cb 0.42 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1ee1 h TYR 144 CO 0.03 0.60 0.06 0.00 -0.00 0.00 0.00 178.16 178.85 1ee1 h ALA 145 N 1.40 0.41 -0.06 3.88 0.00 -0.57 0.31 119.26 124.61 1ee1 h ALA 145 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ee1 h ALA 145 Cb 0.91 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ee1 h ALA 145 CO 0.07 0.08 0.02 0.82 0.00 0.00 0.00 179.25 180.24 1ee1 h ILE 146 N 0.34 1.19 -0.71 0.00 2.04 -1.21 -0.37 117.51 118.79 1ee1 h ILE 146 Ca 0.10 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.43 1ee1 h ILE 146 Cb 0.32 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1ee1 h ILE 146 CO 0.00 0.16 0.42 1.23 0.00 0.00 0.00 178.15 179.96 1ee1 h GLY 147 N -0.11 1.04 1.44 5.37 0.00 -0.65 0.96 103.07 111.12 1ee1 h GLY 147 Ca 0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 1ee1 h GLY 147 CO 0.00 0.21 -0.37 -1.33 0.00 0.00 0.00 176.54 175.06 1ee1 h GLY 148 N 0.79 0.68 1.31 4.60 0.00 -0.25 0.56 103.07 110.75 1ee1 h GLY 148 Ca 0.31 -0.66 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 1ee1 h GLY 148 CO -0.16 0.60 -0.60 1.46 0.00 0.00 0.00 176.54 177.83 1ee1 h GLN 149 N 0.52 0.72 -0.01 4.80 1.08 -0.40 -3.33 115.11 118.48 1ee1 h GLN 149 Ca 0.05 -0.49 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1ee1 h GLN 149 Cb 0.87 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1ee1 h GLN 149 CO 0.08 1.11 -0.51 0.39 -0.95 0.00 0.00 178.83 178.94 1ee1 n GLU 150 N -3.96 1.20 -2.79 1.46 -0.58 0.27 -4.99 120.64 111.24 1ee1 n GLU 150 Ca -0.04 -0.84 -0.07 0.00 -0.42 0.00 0.00 57.16 55.78 1ee1 n GLU 150 Cb 0.65 -1.43 0.03 0.00 -0.57 0.00 0.00 31.44 30.11 1ee1 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ee1 n GLY 151 N 1.38 0.45 3.57 0.62 0.00 0.17 -4.78 105.19 106.59 1ee1 n GLY 151 Ca 0.08 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1ee1 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ee1 s LEU 152 N -3.04 2.93 0.04 0.99 1.43 0.24 -0.47 118.68 120.80 1ee1 s LEU 152 Ca 0.16 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 1ee1 s LEU 152 Cb -0.07 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 1ee1 s LEU 152 CO 0.23 0.05 0.40 -0.76 0.23 0.00 0.00 176.35 176.50 1ee1 s LEU 153 N -3.31 4.40 -0.22 1.79 1.43 -0.01 -4.51 118.68 118.25 1ee1 s LEU 153 Ca 0.28 0.86 -0.21 0.00 -1.03 0.00 0.00 54.13 54.03 1ee1 s LEU 153 Cb -0.07 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 1ee1 s LEU 153 CO 0.17 0.24 0.64 -0.69 0.23 0.00 0.00 176.35 176.94 1ee1 s VAL 154 N -1.25 5.00 0.21 -1.59 1.01 -1.26 -0.89 120.40 121.63 1ee1 s VAL 154 Ca 0.29 1.18 -0.19 0.00 0.00 0.00 0.00 61.98 63.26 1ee1 s VAL 154 Cb -0.15 -3.95 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1ee1 s VAL 154 CO 0.16 0.08 0.70 -0.76 0.00 0.00 0.00 175.10 175.27 1ee1 s LEU 155 N 2.12 4.34 0.16 3.92 1.43 -0.66 -0.66 118.68 129.32 1ee1 s LEU 155 Ca 0.28 1.37 0.07 0.00 -1.03 0.00 0.00 54.13 54.82 1ee1 s LEU 155 Cb -0.16 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1ee1 s LEU 155 CO 0.10 0.04 -0.00 -0.83 0.23 0.00 0.00 176.35 175.88 1ee1 s GLY 156 N -1.67 1.76 -0.09 -3.19 0.00 -0.37 -4.81 107.32 98.96 1ee1 s GLY 156 Ca 0.42 -1.32 0.15 0.00 0.00 0.00 0.00 44.72 43.98 1ee1 s GLY 156 CO 0.21 -1.32 1.45 -1.30 0.00 0.00 0.00 173.10 172.13 1ee1 n THR 157 N 0.03 1.67 -2.04 0.90 -2.24 -1.26 -4.25 114.28 107.09 1ee1 n THR 157 Ca -0.10 -1.32 -0.40 0.00 -2.27 0.00 0.00 64.05 59.96 1ee1 n THR 157 Cb 0.54 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1ee1 n THR 157 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ee1 s ASP 158 N -1.23 6.46 0.33 3.42 -1.08 -1.26 -4.90 116.67 118.41 1ee1 s ASP 158 Ca 0.39 2.72 0.03 0.00 -0.52 0.00 0.00 52.55 55.18 1ee1 s ASP 158 Cb 0.26 -2.65 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 1ee1 s ASP 158 CO 0.17 -0.75 0.35 -1.38 0.52 0.00 0.00 175.17 174.08 1ee1 s HIS 159 N -1.20 1.49 0.20 -5.34 -3.43 -1.26 -3.63 115.29 102.11 1ee1 s HIS 159 Ca 0.54 -1.52 -0.10 0.00 -0.80 0.00 0.00 55.06 53.17 1ee1 s HIS 159 Cb -0.40 -0.48 0.21 0.00 -1.43 0.00 0.00 32.58 30.48 1ee1 s HIS 159 CO 0.52 -0.96 1.80 0.00 -2.00 0.00 0.00 174.74 174.09 1ee1 h ALA 160 N 2.14 0.81 0.00 -1.38 0.00 -1.37 0.74 119.26 120.20 1ee1 h ALA 160 Ca -0.26 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ee1 h ALA 160 Cb 1.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ee1 h ALA 160 CO 0.38 -0.01 -0.15 0.00 0.00 0.00 0.00 179.25 179.46 1ee1 h ALA 161 N 1.33 1.38 0.02 0.00 0.00 -1.90 -0.79 119.26 119.30 1ee1 h ALA 161 Ca 0.28 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.73 1ee1 h ALA 161 Cb 0.18 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1ee1 h ALA 161 CO -0.18 0.19 -1.84 -1.91 0.00 0.00 0.00 179.25 175.50 1ee1 n GLU 162 N -3.82 0.66 -0.08 0.00 2.13 -0.93 -4.26 120.64 114.32 1ee1 n GLU 162 Ca -0.02 0.25 -0.13 0.00 0.66 0.00 0.00 57.16 57.93 1ee1 n GLU 162 Cb 0.25 -1.75 -0.05 0.00 0.27 0.00 0.00 31.44 30.17 1ee1 n GLU 162 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ee1 h ALA 163 N 0.86 0.36 -0.78 4.31 0.00 -0.45 -2.41 119.26 121.15 1ee1 h ALA 163 Ca -0.34 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.31 1ee1 h ALA 163 Cb 2.04 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.68 1ee1 h ALA 163 CO 0.07 0.31 0.42 -0.39 0.00 0.00 0.00 179.25 179.66 1ee1 h VAL 164 N 0.30 0.86 -0.00 0.00 -1.51 -1.34 -2.51 116.25 112.05 1ee1 h VAL 164 Ca 0.04 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1ee1 h VAL 164 Cb 0.76 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1ee1 h VAL 164 CO 0.06 0.13 -0.26 0.35 -1.23 0.00 0.00 177.57 176.61 1ee1 n THR 165 N -4.81 0.00 -2.02 7.19 -2.24 -1.22 -3.55 114.28 107.63 1ee1 n THR 165 Ca 0.13 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.68 1ee1 n THR 165 Cb 0.30 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 1ee1 n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ee1 n GLY 166 N 1.40 0.49 2.62 3.38 0.00 -0.94 -4.87 105.19 107.25 1ee1 n GLY 166 Ca 0.10 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1ee1 n GLY 166 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ee1 n PHE 167 N -3.40 3.14 -3.63 1.61 0.99 -0.99 -4.79 117.46 110.40 1ee1 n PHE 167 Ca -0.20 -2.99 -0.09 0.00 -0.00 0.00 0.00 57.45 54.17 1ee1 n PHE 167 Cb 0.64 -2.46 -0.02 0.00 -1.00 0.00 0.00 39.48 36.64 1ee1 n PHE 167 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 1ee1 s PHE 168 N 2.48 -0.36 -0.18 1.38 -0.12 -1.26 -4.98 117.98 114.95 1ee1 s PHE 168 Ca 0.53 0.04 -0.18 0.00 -0.05 0.00 0.00 56.93 57.26 1ee1 s PHE 168 Cb 0.15 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 43.13 1ee1 s PHE 168 CO -0.07 -1.00 0.51 0.99 -0.05 0.00 0.00 175.22 175.60 1ee1 s THR 169 N -3.76 5.13 0.10 -4.49 2.01 -1.26 -4.94 115.64 108.42 1ee1 s THR 169 Ca 0.06 0.96 -0.31 0.00 0.31 0.00 0.00 61.69 62.71 1ee1 s THR 169 Cb -0.03 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.53 1ee1 s THR 169 CO -0.03 0.22 1.87 1.17 -0.69 0.00 0.00 174.62 177.15 1ee1 n LYS 170 N 4.48 2.80 -1.14 4.92 4.81 -1.26 -1.08 118.16 131.68 1ee1 n LYS 170 Ca -0.05 1.02 -0.05 0.00 -0.87 0.00 0.00 58.31 58.36 1ee1 n LYS 170 Cb 0.51 -2.93 -0.02 0.00 0.02 0.00 0.00 35.03 32.61 1ee1 n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ee1 n TYR 171 N 6.06 0.00 0.00 5.64 0.53 -1.26 -4.90 117.16 123.22 1ee1 n TYR 171 Ca 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.07 1ee1 n TYR 171 Cb 0.38 -1.68 0.00 0.00 -1.03 0.00 0.00 39.34 37.00 1ee1 n TYR 171 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ee1 n GLY 172 N -0.81 0.90 0.14 2.72 0.00 -0.24 -4.52 105.19 103.38 1ee1 n GLY 172 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1ee1 n GLY 172 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ee1 n ASP 173 N 0.00 0.68 0.13 1.61 3.85 -1.21 -1.31 116.55 120.31 1ee1 n ASP 173 Ca 0.00 0.68 0.13 0.00 -0.71 0.00 0.00 54.79 54.89 1ee1 n ASP 173 Cb 0.00 -0.82 0.36 0.00 -1.35 0.00 0.00 41.12 39.31 1ee1 n ASP 173 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1ee1 h GLY 174 N 2.08 0.00 -7.00 6.12 0.00 -1.72 -3.43 103.07 99.12 1ee1 h GLY 174 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1ee1 h GLY 174 CO 0.00 0.00 0.76 -0.32 0.00 0.00 0.00 176.54 176.98 1ee1 s GLY 175 N -3.71 1.30 0.23 4.60 0.00 -0.43 -4.72 107.32 104.60 1ee1 s GLY 175 Ca 0.10 -0.97 -0.13 0.00 0.00 0.00 0.00 44.72 43.72 1ee1 s GLY 175 CO 0.61 2.26 0.46 0.00 0.00 0.00 0.00 173.10 176.43 1ee1 s ALA 176 N 4.37 -0.28 -0.17 3.20 0.00 -1.26 -4.87 121.76 122.74 1ee1 s ALA 176 Ca 0.37 -0.81 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 1ee1 s ALA 176 Cb -0.10 1.03 -0.23 0.00 0.00 0.00 0.00 23.12 23.82 1ee1 s ALA 176 CO 0.23 -0.83 0.16 -0.25 0.00 0.00 0.00 175.76 175.08 1ee1 n ASP 177 N -0.36 2.06 -4.10 0.00 8.00 0.16 -4.95 116.55 117.36 1ee1 n ASP 177 Ca -0.03 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.49 1ee1 n ASP 177 Cb 0.62 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.87 1ee1 n ASP 177 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ee1 s LEU 178 N -6.97 2.37 -0.44 0.64 1.02 -1.15 -5.02 118.68 109.13 1ee1 s LEU 178 Ca -0.27 -0.76 0.02 0.00 0.02 0.00 0.00 54.13 53.14 1ee1 s LEU 178 Cb 0.08 -0.09 0.13 0.00 0.02 0.00 0.00 46.19 46.33 1ee1 s LEU 178 CO 0.70 -0.34 0.22 -0.76 0.02 0.00 0.00 176.35 176.19 1ee1 s LEU 179 N -2.24 3.03 0.49 1.79 1.43 -1.26 -1.23 118.68 120.69 1ee1 s LEU 179 Ca -0.01 -2.59 0.32 0.00 -1.03 0.00 0.00 54.13 50.83 1ee1 s LEU 179 Cb -0.03 -1.15 1.39 0.00 0.03 0.00 0.00 46.19 46.43 1ee1 s LEU 179 CO -0.02 -0.28 1.96 1.55 0.23 0.00 0.00 176.35 179.78 1ee1 h PRO 180 N 6.85 0.00 -0.47 1.29 0.13 -1.88 -3.10 132.00 134.82 1ee1 h PRO 180 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ee1 h PRO 180 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1ee1 h PRO 180 CO 0.52 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.57 1ee1 n LEU 181 N -2.87 3.38 -4.65 1.56 4.77 -1.26 -4.89 117.00 113.03 1ee1 n LEU 181 Ca 0.00 -1.54 -0.44 0.00 -0.03 0.00 0.00 56.01 54.00 1ee1 n LEU 181 Cb 0.26 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1ee1 n LEU 181 CO 0.24 0.77 0.83 0.41 -1.33 0.00 0.00 177.39 178.32 1ee1 n THR 182 N 1.40 1.62 0.00 -5.08 -1.04 -1.17 -2.16 114.28 107.84 1ee1 n THR 182 Ca 0.20 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1ee1 n THR 182 Cb 0.57 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1ee1 n THR 182 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ee1 n GLY 183 N 1.37 2.87 3.76 3.41 0.00 -1.19 -4.89 105.19 110.51 1ee1 n GLY 183 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1ee1 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ee1 s LEU 184 N 0.00 4.60 0.65 0.99 1.43 -0.92 -4.02 118.68 121.42 1ee1 s LEU 184 Ca 0.00 1.79 -0.05 0.00 -1.03 0.00 0.00 54.13 54.85 1ee1 s LEU 184 Cb 0.00 -3.47 0.05 0.00 0.03 0.00 0.00 46.19 42.80 1ee1 s LEU 184 CO 0.00 0.15 0.95 0.42 0.23 0.00 0.00 176.35 178.09 1ee1 s THR 185 N -0.99 2.58 0.15 5.49 -4.23 -1.26 -1.23 115.64 116.16 1ee1 s THR 185 Ca 0.40 -0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 60.44 1ee1 s THR 185 Cb -0.24 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.54 1ee1 s THR 185 CO 0.29 -0.08 1.79 0.50 -0.54 0.00 0.00 174.62 176.58 1ee1 h LYS 186 N -0.39 0.41 -0.27 3.99 1.63 -1.95 -1.82 116.57 118.17 1ee1 h LYS 186 Ca -0.44 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.24 1ee1 h LYS 186 Cb 1.30 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 1ee1 h LYS 186 CO 0.59 0.27 -0.23 0.07 -3.45 0.00 0.00 179.45 176.70 1ee1 h ARG 187 N 0.42 0.51 -0.20 1.90 0.11 -1.94 -2.35 114.38 112.84 1ee1 h ARG 187 Ca 0.16 -0.19 -0.09 0.00 0.10 0.00 0.00 59.98 59.95 1ee1 h ARG 187 Cb 0.04 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1ee1 h ARG 187 CO -0.09 0.71 -0.28 1.96 0.10 0.00 0.00 179.97 182.38 1ee1 h GLN 188 N 0.46 0.39 -0.21 0.08 4.20 -1.84 -1.96 115.11 116.23 1ee1 h GLN 188 Ca 0.07 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1ee1 h GLN 188 Cb 0.66 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1ee1 h GLN 188 CO 0.05 0.64 -0.30 0.78 -0.67 0.00 0.00 178.83 179.32 1ee1 h GLY 189 N 1.04 0.46 1.07 3.46 0.00 -0.95 -1.87 103.07 106.27 1ee1 h GLY 189 Ca 0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1ee1 h GLY 189 CO 0.05 0.36 0.11 -0.09 0.00 0.00 0.00 176.54 176.96 1ee1 h ARG 190 N 0.37 1.10 -0.75 4.80 2.43 -0.96 -1.21 114.38 120.16 1ee1 h ARG 190 Ca 0.05 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1ee1 h ARG 190 Cb 0.72 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1ee1 h ARG 190 CO 0.06 1.01 0.25 1.15 -1.51 0.00 0.00 179.97 180.93 1ee1 h THR 191 N 1.02 1.26 -0.48 0.20 2.02 -0.83 -0.47 112.91 115.64 1ee1 h THR 191 Ca 0.20 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.38 1ee1 h THR 191 Cb 0.45 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1ee1 h THR 191 CO 0.01 0.35 -0.19 -0.07 0.37 0.00 0.00 175.52 175.99 1ee1 h LEU 192 N 1.11 0.99 -0.76 2.58 4.07 -1.01 -1.23 115.31 121.06 1ee1 h LEU 192 Ca 0.24 -0.39 -0.04 0.00 0.08 0.00 0.00 57.88 57.77 1ee1 h LEU 192 Cb 0.28 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 1ee1 h LEU 192 CO -0.01 1.16 0.32 -0.07 -1.08 0.00 0.00 178.44 178.76 1ee1 h LEU 193 N 0.82 1.03 -0.17 1.67 3.38 -0.77 0.73 115.31 122.00 1ee1 h LEU 193 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ee1 h LEU 193 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ee1 h LEU 193 CO 0.06 0.91 0.09 0.11 0.09 0.00 0.00 178.44 179.70 1ee1 h LYS 194 N 1.08 0.25 -0.90 1.13 1.57 -0.92 -1.71 116.57 117.08 1ee1 h LYS 194 Ca 0.25 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1ee1 h LYS 194 Cb 0.19 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1ee1 h LYS 194 CO -0.02 0.27 0.58 1.49 -0.57 0.00 0.00 179.45 181.20 1ee1 h GLU 195 N 0.16 0.99 0.00 3.15 4.57 -0.87 0.66 114.58 123.24 1ee1 h GLU 195 Ca 0.06 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ee1 h GLU 195 Cb 0.10 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1ee1 h GLU 195 CO -0.01 0.66 0.00 1.28 -1.18 0.00 0.00 179.01 179.76 1ee1 n LEU 196 N -4.49 0.65 -0.16 1.64 4.77 0.22 -4.91 117.00 114.73 1ee1 n LEU 196 Ca 0.13 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1ee1 n LEU 196 Cb 0.19 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1ee1 n LEU 196 CO 0.33 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 1ee1 n GLY 197 N 0.35 0.81 3.80 -0.72 0.00 0.22 -5.06 105.19 104.59 1ee1 n GLY 197 Ca 0.03 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1ee1 n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ee1 s ALA 198 N -2.31 3.14 0.34 4.61 0.00 -0.73 -5.01 121.76 121.80 1ee1 s ALA 198 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1ee1 s ALA 198 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 1ee1 s ALA 198 CO 0.00 0.13 1.35 -1.25 0.00 0.00 0.00 175.76 176.00 1ee1 s PRO 199 N -2.50 4.29 0.50 0.00 0.04 -1.26 -4.78 135.00 131.29 1ee1 s PRO 199 Ca 0.55 2.31 0.31 0.00 0.04 0.00 0.00 61.00 64.21 1ee1 s PRO 199 Cb -0.15 -3.05 1.42 0.00 0.04 0.00 0.00 34.50 32.76 1ee1 s PRO 199 CO 0.20 -0.28 1.79 0.93 0.04 0.00 0.00 177.00 179.69 1ee1 h GLU 200 N 3.34 0.11 -0.05 4.56 5.08 -1.98 0.14 114.58 125.78 1ee1 h GLU 200 Ca -0.49 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1ee1 h GLU 200 Cb 1.23 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ee1 h GLU 200 CO 0.65 0.07 0.07 0.00 -1.00 0.00 0.00 179.01 178.80 1ee1 h ARG 201 N 0.11 0.00 0.04 2.33 3.08 -1.94 -1.71 114.38 116.30 1ee1 h ARG 201 Ca 0.57 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.35 1ee1 h ARG 201 Cb 2.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 32.06 1ee1 h ARG 201 CO -0.10 0.00 -1.43 -0.07 -1.07 0.00 0.00 179.97 177.30 1ee1 h LEU 202 N 0.00 0.14 -3.14 3.04 3.38 -1.31 -3.37 115.31 114.05 1ee1 h LEU 202 Ca 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ee1 h LEU 202 Cb 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ee1 h LEU 202 CO -0.00 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.70 1ee1 n TYR 203 N -3.29 0.77 -3.66 1.13 0.18 -0.91 -3.69 117.16 107.69 1ee1 n TYR 203 Ca -0.12 -0.77 -0.26 0.00 1.88 0.00 0.00 57.90 58.63 1ee1 n TYR 203 Cb 1.01 -0.23 -0.17 0.00 -0.38 0.00 0.00 39.34 39.58 1ee1 n TYR 203 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ee1 s LEU 204 N -2.29 0.59 0.00 -3.48 1.43 -0.69 -4.94 118.68 109.29 1ee1 s LEU 204 Ca 0.36 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1ee1 s LEU 204 Cb 0.27 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 46.14 1ee1 s LEU 204 CO 0.10 -0.32 0.00 2.30 0.23 0.00 0.00 176.35 178.66 1ee1 n ILE 226 N 5.21 0.00 -1.90 -0.59 -5.35 -1.26 -4.99 119.36 110.48 1ee1 n ILE 226 Ca -0.07 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.99 1ee1 n ILE 226 Cb 0.49 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.36 1ee1 n ILE 226 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ee1 s SER 227 N 0.00 6.55 0.56 7.28 0.15 -1.26 -4.87 113.70 122.11 1ee1 s SER 227 Ca 0.00 2.69 0.26 0.00 0.70 0.00 0.00 55.95 59.60 1ee1 s SER 227 Cb 0.00 -2.60 1.65 0.00 -1.71 0.00 0.00 66.02 63.36 1ee1 s SER 227 CO 0.00 -0.83 2.21 0.22 1.20 0.00 0.00 173.24 176.03 1ee1 h TYR 228 N 6.39 0.00 0.00 3.44 -0.00 -2.02 0.12 116.97 124.90 1ee1 h TYR 228 Ca -0.43 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.16 1ee1 h TYR 228 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.92 1ee1 h TYR 228 CO 0.64 0.02 -0.65 0.22 -0.00 0.00 0.00 178.16 178.38 1ee1 h ASP 229 N 0.00 0.00 -0.37 -2.11 1.82 -1.99 -2.67 116.42 111.09 1ee1 h ASP 229 Ca -0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.51 1ee1 h ASP 229 Cb 0.05 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1ee1 h ASP 229 CO 0.00 0.65 -0.28 -0.33 -1.61 0.00 0.00 179.24 177.67 1ee1 h GLU 230 N 0.00 0.84 -0.58 0.28 5.08 -1.17 -1.22 114.58 117.82 1ee1 h GLU 230 Ca -0.01 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1ee1 h GLU 230 Cb 1.38 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 1ee1 h GLU 230 CO 0.08 1.05 0.37 0.82 -1.00 0.00 0.00 179.01 180.34 1ee1 h ILE 231 N 0.64 1.12 -0.61 3.13 2.04 -1.19 -1.06 117.51 121.58 1ee1 h ILE 231 Ca 0.07 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1ee1 h ILE 231 Cb 0.86 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1ee1 h ILE 231 CO 0.07 0.14 0.39 0.44 0.00 0.00 0.00 178.15 179.19 1ee1 h ASP 232 N 0.75 0.71 -0.62 1.72 3.32 -1.27 -0.19 116.42 120.84 1ee1 h ASP 232 Ca 0.22 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ee1 h ASP 232 Cb -0.05 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1ee1 h ASP 232 CO -0.07 0.54 0.40 0.44 -1.72 0.00 0.00 179.24 178.83 1ee1 h ASP 233 N 0.82 0.73 0.14 6.45 3.45 -0.82 -0.07 116.42 127.13 1ee1 h ASP 233 Ca 0.22 -0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 1ee1 h ASP 233 Cb -0.06 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.52 1ee1 h ASP 233 CO -0.05 0.55 -0.07 0.22 -1.57 0.00 0.00 179.24 178.33 1ee1 h TYR 234 N 0.85 -0.18 -0.37 4.55 3.20 -0.68 -0.62 116.97 123.72 1ee1 h TYR 234 Ca 0.23 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1ee1 h TYR 234 Cb -0.07 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1ee1 h TYR 234 CO -0.03 -0.10 0.15 -0.07 -1.64 0.00 0.00 178.16 176.47 1ee1 h LEU 235 N -0.20 0.46 -0.28 2.82 3.38 -0.77 -1.97 115.31 118.75 1ee1 h LEU 235 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ee1 h LEU 235 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ee1 h LEU 235 CO 0.03 0.42 0.00 -0.62 0.09 0.00 0.00 178.44 178.36 1ee1 n GLU 236 N -4.40 1.19 -0.93 1.13 1.02 -0.06 -4.77 120.64 113.81 1ee1 n GLU 236 Ca 0.02 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1ee1 n GLU 236 Cb 0.13 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1ee1 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ee1 n GLY 237 N 0.83 0.51 3.87 0.62 0.00 -0.74 -4.50 105.19 105.78 1ee1 n GLY 237 Ca 0.12 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1ee1 n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ee1 s LYS 238 N -0.42 3.69 0.22 1.61 1.02 -0.26 -5.01 119.74 120.59 1ee1 s LYS 238 Ca 0.00 0.75 -0.30 0.00 0.02 0.00 0.00 55.97 56.44 1ee1 s LYS 238 Cb 0.00 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 1ee1 s LYS 238 CO 0.00 -0.44 1.26 -1.21 -0.92 0.00 0.00 175.35 174.04 1ee1 s GLU 239 N -4.80 4.43 0.21 1.68 2.02 -1.26 -4.45 118.70 116.53 1ee1 s GLU 239 Ca 0.55 2.01 0.01 0.00 0.02 0.00 0.00 54.97 57.56 1ee1 s GLU 239 Cb -0.11 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 1ee1 s GLU 239 CO 0.46 -0.16 0.07 0.14 0.02 0.00 0.00 175.26 175.80 1ee1 s VAL 240 N -0.22 0.44 0.71 2.63 -7.23 -1.26 -4.93 120.40 110.54 1ee1 s VAL 240 Ca 0.53 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 1ee1 s VAL 240 Cb -0.36 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.18 1ee1 s VAL 240 CO 0.40 -0.16 1.09 -0.94 -0.31 0.00 0.00 175.10 175.18 1ee1 s SER 241 N -3.23 4.89 0.52 4.85 1.04 -1.26 -4.84 113.70 115.67 1ee1 s SER 241 Ca 0.33 1.88 0.16 0.00 0.48 0.00 0.00 55.95 58.80 1ee1 s SER 241 Cb 0.07 -2.53 1.26 0.00 0.10 0.00 0.00 66.02 64.92 1ee1 s SER 241 CO 0.10 -1.78 2.14 0.00 0.98 0.00 0.00 173.24 174.68 1ee1 h ALA 242 N -0.54 1.96 -0.39 5.32 0.00 -2.01 -1.08 119.26 122.52 1ee1 h ALA 242 Ca -0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1ee1 h ALA 242 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ee1 h ALA 242 CO 0.53 0.02 0.09 -0.22 0.00 0.00 0.00 179.25 179.67 1ee1 h LYS 243 N 0.00 0.63 0.31 0.00 3.64 -1.99 0.35 116.57 119.51 1ee1 h LYS 243 Ca -0.00 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1ee1 h LYS 243 Cb 0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1ee1 h LYS 243 CO 0.00 0.66 -0.15 0.28 -2.27 0.00 0.00 179.45 177.97 1ee1 h VAL 244 N 0.49 0.71 -0.06 2.00 2.07 -1.63 -2.18 116.25 117.64 1ee1 h VAL 244 Ca 0.12 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1ee1 h VAL 244 Cb 0.32 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1ee1 h VAL 244 CO 0.00 0.09 -0.31 0.28 0.02 0.00 0.00 177.57 177.65 1ee1 h SER 245 N -0.68 -0.95 -0.93 0.57 0.02 -1.20 -0.22 113.55 110.15 1ee1 h SER 245 Ca -0.04 0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1ee1 h SER 245 Cb 0.48 0.39 -0.05 0.00 0.14 0.00 0.00 62.40 63.36 1ee1 h SER 245 CO 0.07 -0.37 0.62 -0.08 -1.14 0.00 0.00 176.83 175.93 1ee1 h GLU 246 N -0.43 1.21 0.10 3.45 4.81 -1.00 0.76 114.58 123.48 1ee1 h GLU 246 Ca 0.08 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1ee1 h GLU 246 Cb 0.55 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1ee1 h GLU 246 CO -0.30 0.80 -0.05 0.00 -0.73 0.00 0.00 179.01 178.73 1ee1 h ALA 247 N 1.43 -0.14 -0.42 2.92 0.00 -0.72 -2.01 119.26 120.31 1ee1 h ALA 247 Ca 0.35 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1ee1 h ALA 247 Cb -0.12 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ee1 h ALA 247 CO -0.08 -0.48 0.00 -0.07 0.00 0.00 0.00 179.25 178.62 1ee1 h LEU 248 N -0.33 0.72 -1.44 0.00 3.38 -0.81 -2.03 115.31 114.81 1ee1 h LEU 248 Ca -0.01 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1ee1 h LEU 248 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ee1 h LEU 248 CO 0.02 0.85 -0.17 -0.33 0.09 0.00 0.00 178.44 178.90 1ee1 h GLU 249 N 0.57 0.15 -0.02 1.13 5.08 -0.84 0.20 114.58 120.84 1ee1 h GLU 249 Ca 0.12 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1ee1 h GLU 249 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ee1 h GLU 249 CO 0.02 0.33 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.02 1ee1 h LYS 250 N 0.14 0.12 -0.65 2.33 3.64 -1.26 -2.32 116.57 118.58 1ee1 h LYS 250 Ca 0.03 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1ee1 h LYS 250 Cb 0.39 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1ee1 h LYS 250 CO 0.03 0.75 0.27 -0.09 -2.27 0.00 0.00 179.45 178.14 1ee1 h ARG 251 N -0.48 0.94 0.24 1.90 9.65 -1.15 -1.40 114.38 124.07 1ee1 h ARG 251 Ca -0.01 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1ee1 h ARG 251 Cb 0.77 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1ee1 h ARG 251 CO 0.02 0.76 -0.11 -0.92 2.80 0.00 0.00 179.97 182.52 1ee1 h TYR 252 N 0.93 -0.29 -0.39 2.20 3.20 -0.59 -1.27 116.97 120.76 1ee1 h TYR 252 Ca 0.22 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1ee1 h TYR 252 Cb 0.16 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1ee1 h TYR 252 CO 0.01 -0.14 0.03 0.66 -1.64 0.00 0.00 178.16 177.09 1ee1 h SER 253 N -0.38 0.56 0.58 -2.11 4.64 -1.26 -2.26 113.55 113.32 1ee1 h SER 253 Ca -0.03 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1ee1 h SER 253 Cb 0.29 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1ee1 h SER 253 CO 0.05 0.61 -0.17 0.24 -0.87 0.00 0.00 176.83 176.70 1ee1 h MET 254 N 0.58 0.00 -0.48 4.77 2.86 -0.88 -2.94 114.93 118.84 1ee1 h MET 254 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1ee1 h MET 254 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1ee1 h MET 254 CO 0.01 0.17 0.00 0.25 1.06 0.00 0.00 176.91 178.40 1ee1 n THR 255 N -3.54 1.62 -0.09 2.22 -2.24 -0.51 -4.58 114.28 107.16 1ee1 n THR 255 Ca -0.01 -1.27 0.15 0.00 -2.27 0.00 0.00 64.05 60.65 1ee1 n THR 255 Cb 0.32 0.19 0.55 0.00 -2.10 0.00 0.00 70.33 69.28 1ee1 n THR 255 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ee1 h GLU 256 N 2.97 0.30 0.00 -0.78 4.57 -1.29 0.11 114.58 120.45 1ee1 h GLU 256 Ca 0.00 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1ee1 h GLU 256 Cb 1.20 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1ee1 h GLU 256 CO 0.14 0.20 -0.02 1.12 -1.18 0.00 0.00 179.01 179.27 1ee1 h HIS 257 N 0.30 0.00 0.00 0.92 2.07 -1.84 -0.30 115.15 116.30 1ee1 h HIS 257 Ca 0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.82 1ee1 h HIS 257 Cb 0.75 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.73 1ee1 h HIS 257 CO -0.00 0.02 -0.23 0.87 -3.07 0.00 0.00 177.93 175.52 1ee1 h LYS 258 N 0.00 0.00 -0.50 5.12 1.57 -1.14 -3.28 116.57 118.34 1ee1 h LYS 258 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ee1 h LYS 258 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ee1 h LYS 258 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1ee1 n ARG 259 N -2.50 2.87 -4.33 3.15 1.74 -0.14 -4.97 116.66 112.48 1ee1 n ARG 259 Ca 0.04 -2.35 -0.17 0.00 -0.77 0.00 0.00 57.85 54.60 1ee1 n ARG 259 Cb 0.47 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1ee1 n ARG 259 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ee1 s GLN 260 N -1.10 1.32 0.79 5.56 -1.52 -1.10 -5.11 119.66 118.49 1ee1 s GLN 260 Ca 0.35 -1.64 -0.11 0.00 -1.95 0.00 0.00 55.36 52.01 1ee1 s GLN 260 Cb 0.19 -0.76 0.07 0.00 -0.22 0.00 0.00 33.01 32.29 1ee1 s GLN 260 CO 0.22 -0.01 1.09 0.14 -0.25 0.00 0.00 175.29 176.48 1ee1 s VAL 261 N -3.29 3.23 0.22 1.09 -7.23 -1.26 -4.91 120.40 108.25 1ee1 s VAL 261 Ca 0.26 0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 60.52 1ee1 s VAL 261 Cb 0.04 -3.02 -0.15 0.00 0.56 0.00 0.00 36.38 33.81 1ee1 s VAL 261 CO 0.07 -0.52 1.00 -2.65 -0.31 0.00 0.00 175.10 172.69 1ee1 n PRO 262 N -3.50 1.06 -2.03 4.82 -0.02 -1.26 -4.88 135.00 129.19 1ee1 n PRO 262 Ca 0.08 0.37 -0.38 0.00 -2.02 0.00 0.00 63.50 61.55 1ee1 n PRO 262 Cb 0.55 -1.75 0.01 0.00 -0.02 0.00 0.00 33.50 32.29 1ee1 n PRO 262 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ee1 s ALA 263 N -0.69 2.99 0.24 3.55 0.00 -1.26 -5.05 121.76 121.54 1ee1 s ALA 263 Ca 0.66 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.79 1ee1 s ALA 263 Cb -0.80 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 18.79 1ee1 s ALA 263 CO 0.56 -0.97 0.07 -1.54 0.00 0.00 0.00 175.76 173.88 1ee1 s SER 264 N -1.04 1.23 0.35 0.00 1.04 -1.26 -5.02 113.70 108.99 1ee1 s SER 264 Ca 0.65 -1.32 0.25 0.00 0.48 0.00 0.00 55.95 56.01 1ee1 s SER 264 Cb -0.35 0.14 1.23 0.00 0.10 0.00 0.00 66.02 67.14 1ee1 s SER 264 CO 0.43 -0.68 1.77 0.00 0.98 0.00 0.00 173.24 175.74 1ee1 h MET 265 N 2.47 0.00 -0.01 4.02 -0.00 -2.05 -1.14 114.93 118.21 1ee1 h MET 265 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.32 1ee1 h MET 265 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 1ee1 h MET 265 CO 0.61 0.00 -0.12 1.19 -0.00 0.00 0.00 176.91 178.59 1ee1 n PHE 266 N -2.39 0.00 -3.58 -0.10 3.01 -1.26 -4.87 117.46 108.28 1ee1 n PHE 266 Ca -0.00 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.12 1ee1 n PHE 266 Cb 0.13 -0.10 -0.05 0.00 -0.01 0.00 0.00 39.48 39.45 1ee1 n PHE 266 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ee1 s ASP 267 N -2.32 6.61 -0.13 4.37 -0.00 -0.43 -5.02 116.67 119.75 1ee1 s ASP 267 Ca 0.31 0.76 0.12 0.00 -0.00 0.00 0.00 52.55 53.75 1ee1 s ASP 267 Cb 0.20 -2.16 -0.17 0.00 -0.00 0.00 0.00 42.92 40.79 1ee1 s ASP 267 CO 0.44 0.13 0.05 -0.90 -0.00 0.00 0.00 175.17 174.89 1ee1 n ASP 268 N 0.64 1.62 0.21 0.27 5.75 -1.26 -4.65 116.55 119.13 1ee1 n ASP 268 Ca -0.06 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 54.90 1ee1 n ASP 268 Cb 0.52 0.86 0.78 0.00 -1.03 0.00 0.00 41.12 42.25 1ee1 n ASP 268 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1ee1 h TRP 269 N 0.00 0.00 0.00 2.11 5.08 -1.98 -2.34 115.95 118.83 1ee1 h TRP 269 Ca -0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.61 1ee1 h TRP 269 Cb 1.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.98 1ee1 h TRP 269 CO 0.00 0.00 -0.41 -2.67 -1.28 0.00 0.00 178.44 174.08 1ee1 n TRP 270 N -3.34 0.12 1.92 0.12 4.27 -1.26 -5.06 117.44 114.21 1ee1 n TRP 270 Ca 0.03 0.03 0.16 0.00 -3.89 0.00 0.00 57.50 53.83 1ee1 n TRP 270 Cb 0.50 -0.39 0.88 0.00 -1.36 0.00 0.00 31.31 30.94 1ee1 n TRP 270 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03