#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9x s PHE 2 N 0.00 2.11 -0.22 3.17 2.99 -1.26 -3.85 117.98 120.92 2e9x s PHE 2 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 56.93 58.18 2e9x s PHE 2 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 43.02 39.84 2e9x s PHE 2 CO 0.00 -2.68 0.00 0.00 -0.00 0.00 0.00 175.22 172.54 2e9x h GLU 4 N 0.11 0.74 -0.74 0.00 4.39 -2.01 -2.90 114.58 114.17 2e9x h GLU 4 Ca -0.04 -0.58 -0.05 0.00 0.34 0.00 0.00 59.36 59.02 2e9x h GLU 4 Cb 0.92 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 2e9x h GLU 4 CO 0.06 1.20 0.25 -0.22 -1.16 0.00 0.00 179.01 179.14 2e9x h LYS 5 N 0.45 1.12 -0.77 2.33 1.63 -1.88 -2.28 116.57 117.17 2e9x h LYS 5 Ca -0.04 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.53 2e9x h LYS 5 Cb 1.31 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.73 2e9x h LYS 5 CO 0.14 0.94 0.46 0.00 -3.45 0.00 0.00 179.45 177.54 2e9x h ALA 6 N 1.19 1.36 0.00 5.00 0.00 -1.90 -1.77 119.26 123.14 2e9x h ALA 6 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2e9x h ALA 6 Cb 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2e9x h ALA 6 CO -0.01 0.55 -0.16 0.52 0.00 0.00 0.00 179.25 180.15 2e9x h MET 7 N 1.06 0.00 -0.51 0.00 2.86 -1.20 -2.14 114.93 115.00 2e9x h MET 7 Ca 0.28 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.83 2e9x h MET 7 Cb -0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2e9x h MET 7 CO -0.05 0.16 -0.04 0.93 1.06 0.00 0.00 176.91 178.96 2e9x h GLU 8 N 0.00 0.89 0.05 1.72 5.08 -1.12 -1.02 114.58 120.18 2e9x h GLU 8 Ca -0.00 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2e9x h GLU 8 Cb 0.36 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2e9x h GLU 8 CO 0.02 0.91 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.85 2e9x h LEU 9 N 0.82 -0.06 -0.17 1.33 3.38 -1.36 -1.87 115.31 117.38 2e9x h LEU 9 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2e9x h LEU 9 Cb 0.55 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2e9x h LEU 9 CO 0.03 -0.04 0.11 0.40 0.09 0.00 0.00 178.44 179.03 2e9x h ILE 10 N -0.07 1.06 -0.46 1.22 1.08 -1.36 -2.76 117.51 116.22 2e9x h ILE 10 Ca -0.01 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2e9x h ILE 10 Cb 0.05 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 2e9x h ILE 10 CO 0.01 0.05 0.28 0.03 -0.69 0.00 0.00 178.15 177.83 2e9x h ARG 11 N 0.21 0.62 -0.61 2.37 3.08 -1.13 -0.59 114.38 118.32 2e9x h ARG 11 Ca 0.06 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.15 2e9x h ARG 11 Cb -0.00 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 29.85 2e9x h ARG 11 CO -0.01 0.45 0.24 1.49 -1.07 0.00 0.00 179.97 181.07 2e9x h GLU 12 N 0.61 0.42 -0.10 0.04 4.81 -1.25 -0.96 114.58 118.13 2e9x h GLU 12 Ca 0.16 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2e9x h GLU 12 Cb -0.01 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 2e9x h GLU 12 CO -0.03 0.28 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.40 2e9x h LEU 13 N 0.43 0.23 -2.53 1.64 3.38 -1.20 -3.13 115.31 114.13 2e9x h LEU 13 Ca 0.31 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2e9x h LEU 13 Cb 0.37 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2e9x h LEU 13 CO -0.30 0.60 -0.02 -0.74 0.09 0.00 0.00 178.44 178.08 2e9x h HIS 14 N -0.15 0.00 0.00 1.13 2.76 -0.70 -0.88 115.15 117.31 2e9x h HIS 14 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2e9x h HIS 14 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2e9x h HIS 14 CO 0.07 0.02 -0.37 0.00 -1.30 0.00 0.00 177.93 176.35 2e9x h ARG 15 N 0.00 0.00 -6.66 5.26 3.08 -1.14 -3.44 114.38 111.49 2e9x h ARG 15 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2e9x h ARG 15 Cb 0.11 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 2e9x h ARG 15 CO 0.00 0.00 0.96 0.00 -1.07 0.00 0.00 179.97 179.86 2e9x s ALA 16 N -3.19 3.08 0.75 0.04 0.00 -0.34 -5.01 121.76 117.10 2e9x s ALA 16 Ca 0.07 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2e9x s ALA 16 Cb 0.11 -3.95 0.04 0.00 0.00 0.00 0.00 23.12 19.32 2e9x s ALA 16 CO 0.68 -2.43 1.08 -1.25 0.00 0.00 0.00 175.76 173.85 2e9x s PRO 17 N 4.68 2.48 -1.67 0.00 0.04 -1.26 -4.27 135.00 134.99 2e9x s PRO 17 Ca 0.47 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 2e9x s PRO 17 Cb -0.08 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.65 2e9x s PRO 17 CO 0.30 -1.36 0.70 0.39 0.04 0.00 0.00 177.00 177.06 2e9x n GLU 18 N -3.27 -2.94 -0.90 4.56 1.02 -1.26 -1.21 120.64 116.64 2e9x n GLU 18 Ca 0.07 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2e9x n GLU 18 Cb 0.55 -4.94 0.00 0.00 -0.02 0.00 0.00 31.44 27.03 2e9x n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2e9x n GLY 19 N -1.50 0.24 3.59 0.62 0.00 -1.26 -4.95 105.19 101.93 2e9x n GLY 19 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2e9x n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2e9x n GLN 20 N -0.93 1.34 -3.58 1.61 6.02 -0.35 -4.82 117.38 116.68 2e9x n GLN 20 Ca 0.00 0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 2e9x n GLN 20 Cb 0.22 -1.90 -0.10 0.00 1.02 0.00 0.00 30.24 29.48 2e9x n GLN 20 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2e9x s LEU 21 N 0.20 5.13 0.78 1.08 2.96 -1.26 -4.83 118.68 122.74 2e9x s LEU 21 Ca 0.60 -1.39 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 2e9x s LEU 21 Cb -0.65 -2.02 0.06 0.00 0.50 0.00 0.00 46.19 44.09 2e9x s LEU 21 CO 0.59 -0.52 1.11 -2.16 -1.32 0.00 0.00 176.35 174.05 2e9x s PRO 22 N 1.47 2.21 0.28 0.98 0.04 -1.26 -4.87 135.00 133.85 2e9x s PRO 22 Ca 0.03 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.25 2e9x s PRO 22 Cb -0.22 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.24 2e9x s PRO 22 CO 0.03 -1.50 1.27 0.00 0.04 0.00 0.00 177.00 176.85 2e9x n ALA 23 N -3.32 0.75 -1.69 8.56 0.00 -1.26 -4.83 120.51 118.72 2e9x n ALA 23 Ca 0.07 0.40 -0.44 0.00 0.00 0.00 0.00 53.44 53.46 2e9x n ALA 23 Cb 0.57 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 2e9x n ALA 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2e9x n PHE 24 N 1.03 2.51 -2.82 0.00 7.35 -0.79 -4.86 117.46 119.88 2e9x n PHE 24 Ca 0.09 0.06 -0.44 0.00 -0.76 0.00 0.00 57.45 56.40 2e9x n PHE 24 Cb 0.32 -2.65 0.00 0.00 0.35 0.00 0.00 39.48 37.51 2e9x n PHE 24 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2e9x n ASN 25 N 4.55 5.13 -0.28 -2.13 2.85 -1.26 -4.82 115.26 119.31 2e9x n ASN 25 Ca 0.18 -2.97 -0.06 0.00 -0.11 0.00 0.00 54.58 51.62 2e9x n ASN 25 Cb 0.33 -1.61 0.06 0.00 1.24 0.00 0.00 39.78 39.80 2e9x n ASN 25 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 2e9x h GLU 26 N 7.15 1.15 -0.38 1.20 4.11 -1.99 -1.81 114.58 124.02 2e9x h GLU 26 Ca 0.36 -0.20 -0.08 0.00 0.07 0.00 0.00 59.36 59.51 2e9x h GLU 26 Cb 0.86 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2e9x h GLU 26 CO 1.32 0.92 -0.07 -0.44 0.07 0.00 0.00 179.01 180.82 2e9x h ASP 27 N 1.12 0.71 -0.33 3.06 3.32 -1.99 -0.97 116.42 121.33 2e9x h ASP 27 Ca 0.26 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2e9x h ASP 27 Cb 0.19 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2e9x h ASP 27 CO -0.02 0.89 0.22 1.23 -1.72 0.00 0.00 179.24 179.84 2e9x h GLY 28 N 0.51 0.47 0.91 2.75 0.00 -1.93 0.16 103.07 105.94 2e9x h GLY 28 Ca 0.10 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2e9x h GLY 28 CO 0.03 0.17 0.20 -2.00 0.00 0.00 0.00 176.54 174.94 2e9x h LEU 29 N 0.45 0.31 -0.18 3.11 6.46 -1.24 -1.29 115.31 122.93 2e9x h LEU 29 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2e9x h LEU 29 Cb -0.05 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2e9x h LEU 29 CO -0.03 0.23 0.12 -0.09 -0.62 0.00 0.00 178.44 178.05 2e9x h ARG 30 N 0.40 0.24 -0.22 1.25 2.43 -0.82 -1.39 114.38 116.27 2e9x h ARG 30 Ca 0.13 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2e9x h ARG 30 Cb 0.01 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2e9x h ARG 30 CO -0.07 0.16 -0.02 1.96 -1.51 0.00 0.00 179.97 180.49 2e9x h GLN 31 N 0.24 0.32 -0.09 0.20 4.20 -0.67 -0.18 115.11 119.13 2e9x h GLN 31 Ca 0.07 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 2e9x h GLN 31 Cb -0.02 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2e9x h GLN 31 CO -0.02 0.36 -0.30 0.28 -0.67 0.00 0.00 178.83 178.49 2e9x h VAL 32 N 0.31 1.41 -0.43 -0.54 2.07 -0.99 -1.31 116.25 116.77 2e9x h VAL 32 Ca 0.07 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 2e9x h VAL 32 Cb 0.24 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 2e9x h VAL 32 CO 0.01 0.48 0.26 -0.07 0.02 0.00 0.00 177.57 178.26 2e9x h LEU 33 N -0.11 0.50 -0.62 2.57 3.38 -0.89 -0.62 115.31 119.52 2e9x h LEU 33 Ca -0.01 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2e9x h LEU 33 Cb 0.92 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2e9x h LEU 33 CO 0.06 0.38 -0.60 -0.33 0.09 0.00 0.00 178.44 178.04 2e9x h GLU 34 N 0.58 0.30 -0.40 1.13 5.08 -0.92 -2.03 114.58 118.31 2e9x h GLU 34 Ca 0.15 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2e9x h GLU 34 Cb -0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2e9x h GLU 34 CO -0.03 0.81 -0.22 1.49 -1.00 0.00 0.00 179.01 180.06 2e9x h GLU 35 N 0.22 0.85 -0.51 2.33 4.81 -0.17 -1.74 114.58 120.37 2e9x h GLU 35 Ca -0.01 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2e9x h GLU 35 Cb 1.11 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2e9x h GLU 35 CO 0.10 1.02 0.11 0.52 -0.73 0.00 0.00 179.01 180.02 2e9x h MET 36 N 0.66 0.79 0.37 1.92 2.86 -1.02 0.80 114.93 121.31 2e9x h MET 36 Ca 0.09 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2e9x h MET 36 Cb 0.78 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2e9x h MET 36 CO 0.06 0.73 -0.18 -0.22 1.06 0.00 0.00 176.91 178.36 2e9x h LYS 37 N 0.76 -0.48 -0.05 1.72 3.64 -1.15 -0.73 116.57 120.27 2e9x h LYS 37 Ca 0.17 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2e9x h LYS 37 Cb 0.31 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 2e9x h LYS 37 CO 0.00 -0.23 -0.19 0.00 -2.27 0.00 0.00 179.45 176.76 2e9x h ALA 38 N -0.07 -0.19 -0.84 5.00 0.00 -1.06 -0.92 119.26 121.17 2e9x h ALA 38 Ca -0.05 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.01 2e9x h ALA 38 Cb 0.47 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 2e9x h ALA 38 CO 0.08 -0.67 0.45 -0.07 0.00 0.00 0.00 179.25 179.04 2e9x h LEU 39 N -0.28 0.57 -0.73 0.00 3.38 -0.78 -0.19 115.31 117.28 2e9x h LEU 39 Ca 0.07 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2e9x h LEU 39 Cb 0.38 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2e9x h LEU 39 CO -0.22 0.26 0.01 0.22 0.09 0.00 0.00 178.44 178.81 2e9x h TYR 40 N 0.67 1.06 -0.27 1.13 3.20 -0.43 -1.98 116.97 120.34 2e9x h TYR 40 Ca 0.45 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 2e9x h TYR 40 Cb 0.58 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2e9x h TYR 40 CO -0.08 0.94 -0.12 0.93 -1.64 0.00 0.00 178.16 178.19 2e9x h GLU 41 N 0.91 0.57 -0.36 1.82 5.08 0.03 -1.36 114.58 121.25 2e9x h GLU 41 Ca 0.17 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2e9x h GLU 41 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2e9x h GLU 41 CO 0.03 0.81 -0.02 1.96 -1.00 0.00 0.00 179.01 180.78 2e9x h GLN 42 N 0.31 0.58 -0.02 2.33 4.20 -1.02 -2.42 115.11 119.06 2e9x h GLN 42 Ca 0.06 -0.14 -0.16 0.00 0.06 0.00 0.00 58.65 58.47 2e9x h GLN 42 Cb 0.63 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2e9x h GLN 42 CO 0.04 0.62 -0.73 -0.91 -0.67 0.00 0.00 178.83 177.18 2e9x h ASN 43 N 0.55 0.15 -0.36 1.46 4.21 -1.26 -2.30 115.58 118.03 2e9x h ASN 43 Ca 0.11 -0.10 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 2e9x h ASN 43 Cb 0.38 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 2e9x h ASN 43 CO 0.01 0.82 0.16 1.56 -1.29 0.00 0.00 177.43 178.70 2e9x h GLN 44 N 0.08 0.52 -0.31 0.81 1.08 -0.77 0.95 115.11 117.47 2e9x h GLN 44 Ca -0.02 -0.09 -0.13 0.00 -1.45 0.00 0.00 58.65 56.97 2e9x h GLN 44 Cb 1.28 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2e9x h GLN 44 CO 0.10 0.49 -0.32 0.66 -0.95 0.00 0.00 178.83 178.82 2e9x h SER 45 N 0.43 0.82 -0.65 1.46 4.64 -1.48 -2.53 113.55 116.24 2e9x h SER 45 Ca 0.12 -0.47 -0.08 0.00 -0.47 0.00 0.00 61.79 60.89 2e9x h SER 45 Cb 0.15 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2e9x h SER 45 CO -0.01 1.12 0.11 0.44 -0.87 0.00 0.00 176.83 177.62 2e9x h ASP 46 N 0.53 1.04 0.71 4.97 5.19 -1.30 0.10 116.42 127.65 2e9x h ASP 46 Ca 0.05 -0.25 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2e9x h ASP 46 Cb 0.90 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2e9x h ASP 46 CO 0.08 1.03 0.00 0.58 -3.12 0.00 0.00 179.24 177.81 2e9x h VAL 47 N 1.02 0.00 0.19 -1.35 2.07 -0.78 -0.97 116.25 116.43 2e9x h VAL 47 Ca 0.20 -0.30 -0.35 0.00 0.82 0.00 0.00 66.70 67.07 2e9x h VAL 47 Cb 0.44 1.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2e9x h VAL 47 CO 0.01 0.00 -1.73 -1.13 0.02 0.00 0.00 177.57 174.74 2e9x h ASN 48 N 0.00 0.62 0.55 0.57 -0.73 -0.68 -3.01 115.58 112.90 2e9x h ASN 48 Ca 0.00 -0.94 -0.03 0.00 1.87 0.00 0.00 56.30 57.21 2e9x h ASN 48 Cb 0.35 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 2e9x h ASN 48 CO 0.00 1.78 -0.12 -0.33 -0.37 0.00 0.00 177.43 178.39 2e9x h GLU 49 N 0.09 0.00 -0.01 6.67 5.08 -0.22 0.34 114.58 126.53 2e9x h GLU 49 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2e9x h GLU 49 Cb 2.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.34 2e9x h GLU 49 CO 0.18 0.12 -0.02 0.00 -1.00 0.00 0.00 179.01 178.29 2e9x n ALA 50 N -2.23 2.62 0.04 3.43 0.00 -0.43 -2.66 120.51 121.28 2e9x n ALA 50 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.03 2e9x n ALA 50 Cb 0.28 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 2e9x n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2e9x n LYS 51 N 0.03 1.17 -3.13 0.00 3.00 0.02 -4.40 118.16 114.85 2e9x n LYS 51 Ca 0.19 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.31 58.30 2e9x n LYS 51 Cb 0.34 -1.03 -0.02 0.00 0.00 0.00 0.00 35.03 34.32 2e9x n LYS 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2e9x n SER 52 N -1.55 0.47 0.00 3.14 7.64 0.99 -4.81 113.62 119.49 2e9x n SER 52 Ca -0.01 -3.08 0.00 0.00 1.01 0.00 0.00 58.87 56.79 2e9x n SER 52 Cb 0.11 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2e9x n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e9x n GLY 53 N 0.28 0.00 3.73 0.23 0.00 -1.09 -4.77 105.19 103.58 2e9x n GLY 53 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2e9x n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e9x n GLY 54 N 0.00 -0.46 2.75 -0.02 0.00 -1.23 -4.90 105.19 101.32 2e9x n GLY 54 Ca 0.00 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2e9x n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9x n ARG 55 N -4.64 4.37 0.00 1.61 5.12 -1.17 -4.66 116.66 117.29 2e9x n ARG 55 Ca -0.07 -4.19 0.06 0.00 -1.93 0.00 0.00 57.85 51.72 2e9x n ARG 55 Cb 0.58 -2.39 0.28 0.00 -1.16 0.00 0.00 32.46 29.77 2e9x n ARG 55 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2e9x n SER 56 N -0.22 0.00 -0.02 0.55 3.41 -1.26 -1.27 113.62 114.80 2e9x n SER 56 Ca 0.50 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 2e9x n SER 56 Cb 0.25 -0.34 0.72 0.00 -0.26 0.00 0.00 64.21 64.57 2e9x n SER 56 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2e9x n ASP 57 N -1.34 0.07 -0.00 4.04 5.75 -1.26 -2.77 116.55 121.03 2e9x n ASP 57 Ca 0.05 -1.25 0.10 0.00 -0.01 0.00 0.00 54.79 53.67 2e9x n ASP 57 Cb 0.10 -0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.07 2e9x n ASP 57 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2e9x n LEU 58 N -0.83 0.71 -0.25 -2.12 4.77 -0.40 -4.49 117.00 114.38 2e9x n LEU 58 Ca 0.18 -0.38 0.04 0.00 -0.03 0.00 0.00 56.01 55.82 2e9x n LEU 58 Cb 0.10 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.36 2e9x n LEU 58 CO 0.14 0.18 1.04 0.40 -1.33 0.00 0.00 177.39 177.82 2e9x h ILE 59 N 0.00 0.73 -0.60 -0.08 2.04 -1.69 0.11 117.51 118.02 2e9x h ILE 59 Ca 0.00 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.74 2e9x h ILE 59 Cb 0.58 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2e9x h ILE 59 CO 0.00 0.09 0.31 -0.65 0.00 0.00 0.00 178.15 177.90 2e9x h PRO 60 N 0.51 0.55 -0.11 2.37 0.11 -1.82 0.16 132.00 133.78 2e9x h PRO 60 Ca 0.39 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.37 2e9x h PRO 60 Cb 0.53 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2e9x h PRO 60 CO -0.35 0.37 -0.37 1.15 -0.21 0.00 0.00 178.00 178.59 2e9x h THR 61 N 0.57 1.29 0.03 -1.15 2.02 -1.59 -1.70 112.91 112.38 2e9x h THR 61 Ca 0.27 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 2e9x h THR 61 Cb 0.20 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2e9x h THR 61 CO -0.20 0.42 -0.01 0.40 0.37 0.00 0.00 175.52 176.50 2e9x h ILE 62 N 0.19 1.22 -0.50 3.11 2.04 0.86 -1.95 117.51 122.48 2e9x h ILE 62 Ca 0.02 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 2e9x h ILE 62 Cb 0.74 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2e9x h ILE 62 CO 0.06 0.20 0.19 0.11 0.00 0.00 0.00 178.15 178.70 2e9x h LYS 63 N -0.37 0.71 -0.15 2.37 1.57 -0.71 -1.08 116.57 118.91 2e9x h LYS 63 Ca -0.00 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2e9x h LYS 63 Cb 0.35 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2e9x h LYS 63 CO 0.01 0.59 -0.09 0.35 -0.57 0.00 0.00 179.45 179.74 2e9x h PHE 64 N 0.71 -0.22 -0.17 -1.35 3.57 -1.11 0.16 116.94 118.53 2e9x h PHE 64 Ca 0.17 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.59 2e9x h PHE 64 Cb 0.15 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2e9x h PHE 64 CO 0.01 -0.14 -0.33 0.00 -2.23 0.00 0.00 178.31 175.62 2e9x h ARG 65 N -0.09 0.34 -0.56 1.11 3.08 -0.95 -2.52 114.38 114.79 2e9x h ARG 65 Ca 0.09 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 2e9x h ARG 65 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2e9x h ARG 65 CO -0.21 0.64 0.10 1.25 -1.07 0.00 0.00 179.97 180.67 2e9x h HIS 66 N 0.30 0.99 -0.45 3.04 2.76 -0.28 -0.90 115.15 120.60 2e9x h HIS 66 Ca 0.04 -0.14 -0.08 0.00 -2.20 0.00 0.00 60.37 58.00 2e9x h HIS 66 Cb 0.73 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 2e9x h HIS 66 CO 0.02 0.87 -0.03 0.00 -1.30 0.00 0.00 177.93 177.49 2e9x h SER 68 N 0.71 0.14 -0.23 0.00 0.02 -1.11 -1.08 113.55 112.00 2e9x h SER 68 Ca 0.14 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 2e9x h SER 68 Cb 0.48 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2e9x h SER 68 CO 0.02 0.48 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.75 2e9x h LEU 69 N 0.12 0.73 -0.99 5.07 3.38 -0.60 -1.30 115.31 121.72 2e9x h LEU 69 Ca 0.02 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.36 2e9x h LEU 69 Cb 0.67 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2e9x h LEU 69 CO 0.05 1.11 -0.36 -0.07 0.09 0.00 0.00 178.44 179.26 2e9x h LEU 70 N 0.37 0.27 -0.06 1.67 3.38 -1.23 -1.87 115.31 117.84 2e9x h LEU 70 Ca 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2e9x h LEU 70 Cb 0.96 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2e9x h LEU 70 CO 0.08 0.62 -0.06 -0.09 0.09 0.00 0.00 178.44 179.08 2e9x h ARG 71 N 0.23 0.15 -0.85 1.13 9.65 -1.13 -0.76 114.38 122.81 2e9x h ARG 71 Ca 0.03 -0.08 0.07 0.00 -1.10 0.00 0.00 59.98 58.90 2e9x h ARG 71 Cb 0.75 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.27 2e9x h ARG 71 CO 0.06 0.60 0.51 -0.91 2.80 0.00 0.00 179.97 183.03 2e9x h ASN 72 N -0.29 0.79 -0.46 -3.80 2.35 -1.13 -0.91 115.58 112.13 2e9x h ASN 72 Ca 0.01 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 2e9x h ASN 72 Cb 0.57 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 2e9x h ASN 72 CO 0.02 0.49 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.16 2e9x h ARG 73 N 0.92 0.83 -0.35 0.81 2.43 -1.27 -1.72 114.38 116.03 2e9x h ARG 73 Ca 0.38 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2e9x h ARG 73 Cb 0.23 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2e9x h ARG 73 CO -0.19 0.90 0.23 -0.09 -1.51 0.00 0.00 179.97 179.30 2e9x h ARG 74 N 0.68 0.45 -0.73 0.20 2.43 -0.41 -1.26 114.38 115.74 2e9x h ARG 74 Ca 0.13 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2e9x h ARG 74 Cb 0.55 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2e9x h ARG 74 CO 0.03 0.30 0.28 0.00 -1.51 0.00 0.00 179.97 179.07 2e9x h THR 76 N 1.06 0.84 -0.54 0.00 2.02 -1.01 -0.35 112.91 114.93 2e9x h THR 76 Ca 0.24 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 2e9x h THR 76 Cb 0.23 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2e9x h THR 76 CO -0.02 0.01 0.09 0.58 0.37 0.00 0.00 175.52 176.55 2e9x h VAL 77 N -0.25 1.25 -0.50 3.16 2.07 -1.15 -1.50 116.25 119.34 2e9x h VAL 77 Ca -0.02 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2e9x h VAL 77 Cb 0.19 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2e9x h VAL 77 CO 0.04 0.35 0.28 0.00 0.02 0.00 0.00 177.57 178.25 2e9x h ALA 78 N 0.99 0.64 0.69 1.67 0.00 -1.04 0.12 119.26 122.33 2e9x h ALA 78 Ca 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2e9x h ALA 78 Cb 0.40 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2e9x h ALA 78 CO 0.01 0.15 -0.40 -0.92 0.00 0.00 0.00 179.25 178.08 2e9x h TYR 79 N 0.66 -1.07 -0.92 0.00 3.20 -0.91 -0.26 116.97 117.67 2e9x h TYR 79 Ca 0.18 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2e9x h TYR 79 Cb 0.03 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 2e9x h TYR 79 CO -0.02 -0.62 0.61 -0.07 -1.64 0.00 0.00 178.16 176.42 2e9x h LEU 80 N -1.03 1.01 -0.25 2.82 3.38 -1.18 -2.18 115.31 117.89 2e9x h LEU 80 Ca -0.09 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2e9x h LEU 80 Cb 0.82 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2e9x h LEU 80 CO 0.10 0.70 -0.16 0.22 0.09 0.00 0.00 178.44 179.39 2e9x h TYR 81 N 1.18 0.65 -0.73 1.13 3.20 -0.63 -2.60 116.97 119.16 2e9x h TYR 81 Ca 0.36 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2e9x h TYR 81 Cb -0.02 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 2e9x h TYR 81 CO -0.00 0.84 0.47 0.22 -1.64 0.00 0.00 178.16 178.05 2e9x h ASP 82 N 0.27 0.85 -0.99 -2.11 3.58 -0.81 -1.90 116.42 115.30 2e9x h ASP 82 Ca 0.05 -0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.54 2e9x h ASP 82 Cb 0.69 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 41.46 2e9x h ASP 82 CO 0.05 0.62 0.64 0.03 -2.88 0.00 0.00 179.24 177.70 2e9x h ARG 83 N 0.99 1.12 -0.22 0.28 3.08 -1.32 0.19 114.38 118.51 2e9x h ARG 83 Ca 0.27 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 2e9x h ARG 83 Cb -0.10 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 2e9x h ARG 83 CO -0.06 0.74 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.42 2e9x h LEU 84 N 1.15 0.32 -0.92 3.04 3.38 -0.97 0.25 115.31 121.57 2e9x h LEU 84 Ca 0.43 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 2e9x h LEU 84 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2e9x h LEU 84 CO -0.18 0.46 -0.32 -0.07 0.09 0.00 0.00 178.44 178.42 2e9x h LEU 85 N 0.33 0.41 -0.02 1.67 3.38 -0.33 -0.02 115.31 120.72 2e9x h LEU 85 Ca 0.07 -0.15 -0.25 0.00 0.09 0.00 0.00 57.88 57.63 2e9x h LEU 85 Cb 0.38 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.03 2e9x h LEU 85 CO 0.02 0.71 -0.97 0.03 0.09 0.00 0.00 178.44 178.32 2e9x h ARG 86 N 0.34 0.70 -0.65 1.13 3.08 -0.69 -2.79 114.38 115.50 2e9x h ARG 86 Ca 0.04 -0.72 -0.04 0.00 0.07 0.00 0.00 59.98 59.33 2e9x h ARG 86 Cb 0.74 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 2e9x h ARG 86 CO 0.06 1.31 0.23 0.82 -1.07 0.00 0.00 179.97 181.31 2e9x h ILE 87 N 0.39 1.23 -0.81 2.04 2.04 -0.81 -1.66 117.51 119.93 2e9x h ILE 87 Ca -0.12 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 2e9x h ILE 87 Cb 1.63 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 2e9x h ILE 87 CO 0.19 0.30 0.41 -0.09 0.00 0.00 0.00 178.15 178.96 2e9x h ARG 88 N 0.94 1.16 -0.05 2.37 1.12 -0.98 -1.35 114.38 117.58 2e9x h ARG 88 Ca 0.22 -0.16 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 2e9x h ARG 88 Cb 0.22 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.96 2e9x h ARG 88 CO -0.01 0.89 -0.11 0.00 -3.11 0.00 0.00 179.97 177.62 2e9x h ALA 89 N 1.21 1.72 -0.81 2.80 0.00 -1.05 -2.47 119.26 120.67 2e9x h ALA 89 Ca 0.28 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2e9x h ALA 89 Cb 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2e9x h ALA 89 CO -0.04 0.21 0.53 -0.07 0.00 0.00 0.00 179.25 179.89 2e9x h LEU 90 N 0.08 0.89 -0.62 0.00 3.38 -0.53 -0.55 115.31 117.95 2e9x h LEU 90 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2e9x h LEU 90 Cb 0.25 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2e9x h LEU 90 CO 0.02 0.62 0.39 -0.09 0.09 0.00 0.00 178.44 179.47 2e9x h ARG 91 N 1.03 0.83 0.00 1.13 9.65 -1.41 0.17 114.38 125.78 2e9x h ARG 91 Ca 0.31 -0.06 -0.14 0.00 -1.10 0.00 0.00 59.98 58.99 2e9x h ARG 91 Cb -0.02 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.36 2e9x h ARG 91 CO -0.08 0.57 -0.66 -1.49 2.80 0.00 0.00 179.97 181.11 2e9x h TRP 92 N 0.84 0.00 0.10 2.20 4.06 -1.45 -0.99 115.95 120.71 2e9x h TRP 92 Ca 0.22 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.83 2e9x h TRP 92 Cb -0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.08 2e9x h TRP 92 CO -0.02 0.66 -1.92 -1.91 -3.56 0.00 0.00 178.44 171.69 2e9x n GLU 93 N -3.50 0.73 0.00 0.49 4.07 -0.28 -4.55 120.64 117.60 2e9x n GLU 93 Ca -0.00 0.27 0.04 0.00 -0.06 0.00 0.00 57.16 57.42 2e9x n GLU 93 Cb 0.71 -1.73 -0.03 0.00 -0.06 0.00 0.00 31.44 30.33 2e9x n GLU 93 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2e9x n TYR 94 N -3.38 0.00 -1.26 4.31 4.02 0.57 -5.08 117.16 116.34 2e9x n TYR 94 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 2e9x n TYR 94 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.37 2e9x n TYR 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2e9x n GLY 95 N 1.04 -1.81 0.22 2.72 0.00 -0.38 -4.54 105.19 102.46 2e9x n GLY 95 Ca 0.03 -1.85 -0.00 0.00 0.00 0.00 0.00 46.02 44.19 2e9x n GLY 95 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2e9x h SER 96 N 0.00 0.29 -3.68 1.61 0.02 -1.92 -3.41 113.55 106.46 2e9x h SER 96 Ca 0.00 -0.09 -0.64 0.00 -0.84 0.00 0.00 61.79 60.22 2e9x h SER 96 Cb 0.00 -0.08 -0.21 0.00 0.14 0.00 0.00 62.40 62.26 2e9x h SER 96 CO 0.00 0.55 -0.59 -0.69 -1.14 0.00 0.00 176.83 174.96 2e9x s VAL 97 N -4.46 4.61 0.10 2.27 1.01 -1.26 -5.09 120.40 117.58 2e9x s VAL 97 Ca -0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 2e9x s VAL 97 Cb 0.14 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 2e9x s VAL 97 CO 0.76 0.33 0.56 -0.76 0.00 0.00 0.00 175.10 175.98 2e9x s LEU 98 N 1.54 4.46 0.38 3.92 1.43 -1.26 -4.97 118.68 124.18 2e9x s LEU 98 Ca 0.06 1.19 -0.28 0.00 -1.03 0.00 0.00 54.13 54.08 2e9x s LEU 98 Cb -0.15 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.95 2e9x s LEU 98 CO 0.05 0.22 1.44 -2.84 0.23 0.00 0.00 176.35 175.44 2e9x s PRO 99 N -1.41 4.08 0.53 1.29 0.02 -1.26 -4.81 135.00 133.45 2e9x s PRO 99 Ca 0.32 2.47 0.19 0.00 0.02 0.00 0.00 61.00 64.00 2e9x s PRO 99 Cb -0.18 -2.93 1.36 0.00 0.02 0.00 0.00 34.50 32.77 2e9x s PRO 99 CO 0.19 -0.51 2.14 -0.91 -0.33 0.00 0.00 177.00 177.58 2e9x h ASN 100 N 2.95 0.00 0.40 2.53 2.35 -1.98 -0.01 115.58 121.82 2e9x h ASN 100 Ca -0.50 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.18 2e9x h ASN 100 Cb 1.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 2e9x h ASN 100 CO 0.64 0.00 -0.31 0.00 -1.65 0.00 0.00 177.43 176.11 2e9x h ALA 101 N 1.96 1.36 0.21 -0.83 0.00 -2.00 -0.31 119.26 119.65 2e9x h ALA 101 Ca 0.04 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 2e9x h ALA 101 Cb 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.92 2e9x h ALA 101 CO -0.00 0.38 -1.39 -0.07 0.00 0.00 0.00 179.25 178.18 2e9x h LEU 102 N 0.00 0.74 -1.33 0.00 3.38 -1.38 -3.26 115.31 113.47 2e9x h LEU 102 Ca -0.00 -0.78 -0.07 0.00 0.09 0.00 0.00 57.88 57.12 2e9x h LEU 102 Cb 0.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2e9x h LEU 102 CO 0.04 1.60 -0.33 0.03 0.09 0.00 0.00 178.44 179.88 2e9x h ARG 103 N 0.15 0.00 -0.63 1.13 3.08 -0.99 -3.02 114.38 114.10 2e9x h ARG 103 Ca -0.22 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.88 2e9x h ARG 103 Cb 2.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.10 2e9x h ARG 103 CO 0.25 0.33 0.42 0.35 -1.07 0.00 0.00 179.97 180.24 2e9x h PHE 104 N 0.00 0.67 -0.08 3.04 3.57 -1.10 -1.79 116.94 121.25 2e9x h PHE 104 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2e9x h PHE 104 Cb 0.63 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2e9x h PHE 104 CO 0.00 0.37 0.00 0.72 -2.23 0.00 0.00 178.31 177.17 2e9x n HIS 105 N -4.47 0.10 -3.90 0.41 8.25 -1.14 -4.87 115.22 109.60 2e9x n HIS 105 Ca 0.08 -0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 2e9x n HIS 105 Cb 0.19 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 2e9x n HIS 105 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2e9x s MET 106 N -1.90 3.46 0.41 -0.41 -1.94 -0.67 -1.88 119.30 116.35 2e9x s MET 106 Ca 0.33 -0.54 -0.05 0.00 -1.71 0.00 0.00 55.69 53.71 2e9x s MET 106 Cb 0.17 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 2e9x s MET 106 CO 0.26 0.50 0.70 0.00 -0.01 0.00 0.00 175.02 176.48 2e9x s ALA 107 N -1.76 3.48 0.25 3.03 0.00 -1.26 -4.86 121.76 120.64 2e9x s ALA 107 Ca 0.35 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 2e9x s ALA 107 Cb -0.11 -2.49 0.42 0.00 0.00 0.00 0.00 23.12 20.94 2e9x s ALA 107 CO 0.29 -0.11 1.82 0.00 0.00 0.00 0.00 175.76 177.76 2e9x h ALA 108 N 0.81 1.26 -0.22 0.00 0.00 -1.99 0.27 119.26 119.39 2e9x h ALA 108 Ca -0.48 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2e9x h ALA 108 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2e9x h ALA 108 CO 0.63 0.17 -0.13 0.93 0.00 0.00 0.00 179.25 180.85 2e9x h GLU 109 N 0.88 0.37 -0.40 0.00 3.07 -2.00 -2.41 114.58 114.09 2e9x h GLU 109 Ca 0.42 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 59.07 2e9x h GLU 109 Cb 0.35 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2e9x h GLU 109 CO -0.24 0.50 -0.20 0.93 -1.40 0.00 0.00 179.01 178.60 2e9x h GLU 110 N 0.34 0.77 -0.47 2.33 5.08 -1.34 -0.98 114.58 120.32 2e9x h GLU 110 Ca 0.07 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 2e9x h GLU 110 Cb 0.44 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2e9x h GLU 110 CO 0.03 0.91 0.00 1.98 -1.00 0.00 0.00 179.01 180.93 2e9x h MET 111 N 0.68 0.77 -0.24 2.33 4.05 -1.00 0.60 114.93 122.13 2e9x h MET 111 Ca 0.10 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 2e9x h MET 111 Cb 0.71 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2e9x h MET 111 CO 0.05 0.78 0.04 0.93 0.23 0.00 0.00 176.91 178.95 2e9x h GLU 112 N 0.72 0.39 -0.82 0.39 5.08 -1.01 0.02 114.58 119.35 2e9x h GLU 112 Ca 0.14 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2e9x h GLU 112 Cb 0.44 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2e9x h GLU 112 CO 0.02 0.52 0.52 2.35 -1.00 0.00 0.00 179.01 181.42 2e9x h TRP 113 N 0.20 0.98 -0.27 4.33 7.01 -0.76 -1.03 115.95 126.41 2e9x h TRP 113 Ca 0.07 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.10 2e9x h TRP 113 Cb 0.31 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 2e9x h TRP 113 CO 0.02 0.55 0.17 0.35 -2.79 0.00 0.00 178.44 176.74 2e9x h PHE 114 N 1.00 0.34 -0.64 2.65 3.57 -0.45 -0.13 116.94 123.28 2e9x h PHE 114 Ca 0.34 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 2e9x h PHE 114 Cb 0.04 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2e9x h PHE 114 CO -0.03 0.22 0.15 -0.91 -2.23 0.00 0.00 178.31 175.52 2e9x h ASN 115 N 0.36 0.95 -0.53 0.41 2.35 -0.52 0.28 115.58 118.88 2e9x h ASN 115 Ca 0.10 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 2e9x h ASN 115 Cb -0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 2e9x h ASN 115 CO -0.02 0.92 0.04 0.78 -1.65 0.00 0.00 177.43 177.50 2e9x h ASN 116 N 0.96 0.89 -0.55 5.81 2.35 -0.91 -0.57 115.58 123.56 2e9x h ASN 116 Ca 0.20 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2e9x h ASN 116 Cb 0.34 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2e9x h ASN 116 CO 0.00 0.96 0.22 0.22 -1.65 0.00 0.00 177.43 177.18 2e9x h TYR 117 N 0.79 0.83 -0.40 1.19 3.20 -0.54 -1.06 116.97 120.98 2e9x h TYR 117 Ca 0.16 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.03 2e9x h TYR 117 Cb 0.48 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.45 2e9x h TYR 117 CO 0.04 0.67 0.08 -0.22 -1.64 0.00 0.00 178.16 177.08 2e9x h LYS 118 N 0.74 0.20 -0.26 1.82 3.64 -0.12 -0.57 116.57 122.02 2e9x h LYS 118 Ca 0.18 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2e9x h LYS 118 Cb 0.19 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2e9x h LYS 118 CO -0.02 0.13 0.07 0.00 -2.27 0.00 0.00 179.45 177.36 2e9x h ARG 119 N 0.21 0.42 -0.71 1.90 3.08 -0.78 -1.09 114.38 117.40 2e9x h ARG 119 Ca 0.20 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2e9x h ARG 119 Cb 0.24 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 2e9x h ARG 119 CO -0.26 0.51 0.47 0.77 -1.07 0.00 0.00 179.97 180.39 2e9x h SER 120 N 0.26 0.83 -0.23 7.04 0.02 -0.95 0.12 113.55 120.63 2e9x h SER 120 Ca 0.08 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2e9x h SER 120 Cb 0.28 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2e9x h SER 120 CO 0.00 0.61 0.09 0.25 -1.14 0.00 0.00 176.83 176.64 2e9x h LEU 121 N 0.97 0.33 -0.62 5.07 5.85 -0.97 0.07 115.31 126.01 2e9x h LEU 121 Ca 0.26 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2e9x h LEU 121 Cb -0.10 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 2e9x h LEU 121 CO -0.05 0.41 0.36 0.00 -0.34 0.00 0.00 178.44 178.82 2e9x h ALA 122 N 0.93 0.82 -0.15 1.25 0.00 -0.83 -0.50 119.26 120.78 2e9x h ALA 122 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2e9x h ALA 122 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2e9x h ALA 122 CO -0.01 0.07 0.08 1.15 0.00 0.00 0.00 179.25 180.55 2e9x h THR 123 N 0.70 1.09 0.04 0.00 2.02 -0.74 -1.16 112.91 114.85 2e9x h THR 123 Ca 0.26 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.23 2e9x h THR 123 Cb 0.09 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2e9x h THR 123 CO -0.14 0.08 -0.20 0.22 0.37 0.00 0.00 175.52 175.86 2e9x h TYR 124 N 0.15 -0.52 -0.28 3.16 3.20 -0.36 -2.39 116.97 119.93 2e9x h TYR 124 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 2e9x h TYR 124 Cb 0.06 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2e9x h TYR 124 CO -0.04 -0.28 0.16 0.52 -1.64 0.00 0.00 178.16 176.87 2e9x h MET 125 N -0.34 0.38 0.00 1.82 2.86 -1.01 -1.61 114.93 117.02 2e9x h MET 125 Ca 0.04 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2e9x h MET 125 Cb 0.40 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2e9x h MET 125 CO -0.15 0.28 -0.13 -0.09 1.06 0.00 0.00 176.91 177.88 2e9x h ARG 126 N 0.39 0.00 0.00 1.72 2.43 -0.76 -1.32 114.38 116.84 2e9x h ARG 126 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2e9x h ARG 126 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2e9x h ARG 126 CO -0.02 0.13 -0.47 -1.13 -1.51 0.00 0.00 179.97 176.98 2e9x n SER 127 N -3.29 0.60 0.28 -3.80 3.41 -0.61 -3.00 113.62 107.21 2e9x n SER 127 Ca 0.00 0.12 -0.18 0.00 -0.26 0.00 0.00 58.87 58.56 2e9x n SER 127 Cb 0.37 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 2e9x n SER 127 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2e9x h LEU 128 N 0.00 -1.35 0.00 1.04 3.38 -1.49 -3.47 115.31 113.43 2e9x h LEU 128 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2e9x h LEU 128 Cb 0.66 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2e9x h LEU 128 CO 0.00 -0.65 0.00 0.61 0.09 0.00 0.00 178.44 178.49 2e9x n GLY 129 N -1.55 6.51 0.00 0.83 0.00 -1.26 -4.96 105.19 104.76 2e9x n GLY 129 Ca -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2e9x n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e9x n GLY 130 N 5.00 -0.53 3.62 -0.02 0.00 -1.26 -4.11 105.19 107.89 2e9x n GLY 130 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2e9x n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e9x s ASP 131 N -1.74 6.72 -0.57 1.61 1.01 -1.26 -4.18 116.67 118.26 2e9x s ASP 131 Ca 0.00 0.80 0.00 0.00 0.71 0.00 0.00 52.55 54.06 2e9x s ASP 131 Cb 0.00 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.52 2e9x s ASP 131 CO 0.00 -0.57 0.00 -0.62 0.21 0.00 0.00 175.17 174.19 2e9x n GLU 132 N 6.11 -2.27 0.00 8.23 1.02 -1.26 -4.69 120.64 127.79 2e9x n GLU 132 Ca 0.04 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2e9x n GLU 132 Cb 0.48 -4.77 0.00 0.00 -0.02 0.00 0.00 31.44 27.13 2e9x n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2e9x n GLY 133 N -0.53 2.33 3.45 0.62 0.00 -1.16 -4.53 105.19 105.36 2e9x n GLY 133 Ca -0.07 0.37 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 2e9x n GLY 133 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2e9x s LEU 134 N 0.00 -0.62 -1.02 0.99 2.96 -0.51 -4.33 118.68 116.16 2e9x s LEU 134 Ca 0.00 1.21 -0.21 0.00 -0.22 0.00 0.00 54.13 54.92 2e9x s LEU 134 Cb 0.00 1.83 0.09 0.00 0.50 0.00 0.00 46.19 48.60 2e9x s LEU 134 CO 0.00 -0.22 1.35 -0.62 -1.32 0.00 0.00 176.35 175.54 2e9x s ASP 135 N 1.89 6.60 0.00 3.68 -1.08 -1.26 -4.72 116.67 121.79 2e9x s ASP 135 Ca -0.08 -1.83 0.12 0.00 -0.52 0.00 0.00 52.55 50.24 2e9x s ASP 135 Cb -0.08 -2.50 0.70 0.00 -1.46 0.00 0.00 42.92 39.58 2e9x s ASP 135 CO -0.16 -1.28 1.20 2.30 0.52 0.00 0.00 175.17 177.75 2e9x n ILE 136 N 6.22 0.00 1.35 4.11 -5.35 -1.26 -1.42 119.36 123.01 2e9x n ILE 136 Ca 0.31 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.93 2e9x n ILE 136 Cb 0.49 -0.47 0.54 0.00 -1.74 0.00 0.00 39.64 38.47 2e9x n ILE 136 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2e9x n THR 137 N -0.79 0.00 -3.40 7.28 -2.24 -1.26 -4.81 114.28 109.06 2e9x n THR 137 Ca 0.09 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 2e9x n THR 137 Cb 0.04 0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2e9x n THR 137 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2e9x s GLN 138 N -2.48 2.50 -1.22 -0.78 -1.52 -0.51 -4.69 119.66 110.96 2e9x s GLN 138 Ca 0.27 -1.58 -0.06 0.00 -1.95 0.00 0.00 55.36 52.04 2e9x s GLN 138 Cb 0.20 -2.46 -0.01 0.00 -0.22 0.00 0.00 33.01 30.51 2e9x s GLN 138 CO 0.49 -0.41 0.77 -0.25 -0.25 0.00 0.00 175.29 175.63 2e9x n ASP 139 N -1.78 -3.11 0.17 5.90 10.43 -1.26 -4.89 116.55 122.00 2e9x n ASP 139 Ca 0.06 -0.84 0.12 0.00 2.57 0.00 0.00 54.79 56.70 2e9x n ASP 139 Cb 0.62 -4.12 0.26 0.00 1.84 0.00 0.00 41.12 39.71 2e9x n ASP 139 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 2e9x h MET 140 N -1.74 0.00 -6.09 -1.24 2.86 -1.89 -3.45 114.93 103.38 2e9x h MET 140 Ca -0.62 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.46 2e9x h MET 140 Cb 1.35 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.78 2e9x h MET 140 CO 0.52 0.00 -0.83 0.15 1.06 0.00 0.00 176.91 177.81 2e9x s LYS 141 N -3.17 1.16 0.66 1.72 1.02 -1.26 -5.13 119.74 114.74 2e9x s LYS 141 Ca 0.08 -1.09 -0.17 0.00 0.02 0.00 0.00 55.97 54.81 2e9x s LYS 141 Cb 0.08 -1.38 -0.00 0.00 -0.52 0.00 0.00 37.83 36.01 2e9x s LYS 141 CO 0.65 0.33 1.19 -1.25 -0.92 0.00 0.00 175.35 175.35 2e9x s PRO 142 N -1.71 2.63 0.17 -1.68 0.04 -1.26 -4.91 135.00 128.27 2e9x s PRO 142 Ca 0.06 1.73 -0.33 0.00 0.04 0.00 0.00 61.00 62.50 2e9x s PRO 142 Cb -0.10 -1.90 -0.16 0.00 0.04 0.00 0.00 34.50 32.39 2e9x s PRO 142 CO 0.04 -1.45 1.20 -2.30 0.04 0.00 0.00 177.00 174.52 2e9x n PRO 143 N -2.16 1.25 0.00 0.56 -0.02 -1.26 -5.20 135.00 128.17 2e9x n PRO 143 Ca 0.13 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 2e9x n PRO 143 Cb 0.50 -1.97 0.51 0.00 -0.02 0.00 0.00 33.50 32.52 2e9x n PRO 143 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11