#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 3.14 -0.28 1.12 2.99 -1.26 -3.95 117.98 119.73 2e9x s PHE 2 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 56.93 58.35 2e9x s PHE 2 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 43.02 40.14 2e9x s PHE 2 CO 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 175.22 174.03 2e9x h GLU 4 N 0.41 0.32 -0.37 0.00 4.39 -2.00 -2.53 114.58 114.79 2e9x h GLU 4 Ca -0.05 -0.51 -0.11 0.00 0.34 0.00 0.00 59.36 59.02 2e9x h GLU 4 Cb 0.47 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2e9x h GLU 4 CO 0.08 1.23 -0.23 0.87 -1.16 0.00 0.00 179.01 179.79 2e9x h LYS 5 N 0.11 0.73 -0.84 2.33 1.57 -1.90 -2.31 116.57 116.26 2e9x h LYS 5 Ca -0.14 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.33 2e9x h LYS 5 Cb 1.93 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 34.16 2e9x h LYS 5 CO 0.20 0.89 0.44 0.00 -0.57 0.00 0.00 179.45 180.42 2e9x h ALA 6 N 1.10 1.08 -0.55 3.86 0.00 -1.90 -2.06 119.26 120.79 2e9x h ALA 6 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2e9x h ALA 6 Cb 0.73 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2e9x h ALA 6 CO 0.06 0.61 0.25 0.52 0.00 0.00 0.00 179.25 180.68 2e9x h MET 7 N 1.18 0.78 -0.59 0.00 2.86 -1.00 -2.03 114.93 116.14 2e9x h MET 7 Ca 0.29 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2e9x h MET 7 Cb 0.06 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2e9x h MET 7 CO -0.04 0.63 0.37 0.93 1.06 0.00 0.00 176.91 179.85 2e9x h GLU 8 N 0.78 0.80 -0.24 1.72 4.39 -0.84 0.30 114.58 121.48 2e9x h GLU 8 Ca 0.19 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2e9x h GLU 8 Cb 0.12 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2e9x h GLU 8 CO -0.02 0.55 0.13 -0.07 -1.16 0.00 0.00 179.01 178.44 2e9x h LEU 9 N 0.81 0.30 -0.01 1.33 3.38 -1.22 -2.09 115.31 117.82 2e9x h LEU 9 Ca 0.22 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2e9x h LEU 9 Cb -0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2e9x h LEU 9 CO -0.04 0.30 0.00 0.40 0.09 0.00 0.00 178.44 179.19 2e9x h ILE 10 N 0.28 1.04 -0.80 1.22 1.08 -1.07 -3.01 117.51 116.25 2e9x h ILE 10 Ca 0.08 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2e9x h ILE 10 Cb 0.07 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 2e9x h ILE 10 CO -0.01 0.03 0.51 0.03 -0.69 0.00 0.00 178.15 178.02 2e9x h ARG 11 N -0.04 1.07 -0.09 2.37 3.08 -0.93 -1.68 114.38 118.16 2e9x h ARG 11 Ca 0.00 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.99 2e9x h ARG 11 Cb 0.05 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2e9x h ARG 11 CO -0.00 0.73 -0.01 1.49 -1.07 0.00 0.00 179.97 181.11 2e9x h GLU 12 N 1.10 0.01 0.00 0.04 4.81 -1.26 -1.60 114.58 117.69 2e9x h GLU 12 Ca 0.29 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2e9x h GLU 12 Cb -0.09 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2e9x h GLU 12 CO -0.06 0.01 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.16 2e9x h LEU 13 N 0.01 -0.00 -2.44 1.64 3.38 -1.38 -2.92 115.31 113.60 2e9x h LEU 13 Ca 0.04 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2e9x h LEU 13 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2e9x h LEU 13 CO -0.09 0.25 0.08 -0.74 0.09 0.00 0.00 178.44 178.04 2e9x h HIS 14 N -0.26 0.00 0.00 1.13 2.76 -1.20 0.41 115.15 117.99 2e9x h HIS 14 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2e9x h HIS 14 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2e9x h HIS 14 CO 0.01 0.00 -0.51 0.00 -1.30 0.00 0.00 177.93 176.13 2e9x h ARG 15 N 0.00 0.00 -6.36 5.26 3.08 -1.19 -3.43 114.38 111.74 2e9x h ARG 15 Ca 0.03 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.52 2e9x h ARG 15 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 2e9x h ARG 15 CO -0.00 0.00 1.17 0.00 -1.07 0.00 0.00 179.97 180.07 2e9x s ALA 16 N -3.29 2.82 0.91 0.04 0.00 0.13 -4.98 121.76 117.40 2e9x s ALA 16 Ca 0.03 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 2e9x s ALA 16 Cb 0.07 -4.05 0.14 0.00 0.00 0.00 0.00 23.12 19.28 2e9x s ALA 16 CO 0.73 -2.79 1.09 -1.25 0.00 0.00 0.00 175.76 173.54 2e9x s PRO 17 N 5.56 1.12 -1.68 0.00 0.04 -1.26 -4.18 135.00 134.60 2e9x s PRO 17 Ca 0.65 0.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.21 2e9x s PRO 17 Cb -0.15 -1.80 0.20 0.00 0.04 0.00 0.00 34.50 32.79 2e9x s PRO 17 CO 0.30 -2.31 0.51 0.39 0.04 0.00 0.00 177.00 175.92 2e9x n GLU 18 N -3.92 -0.75 -2.07 4.56 1.02 -1.26 0.08 120.64 118.29 2e9x n GLU 18 Ca 0.07 0.12 -0.19 0.00 -0.02 0.00 0.00 57.16 57.14 2e9x n GLU 18 Cb 0.56 -4.18 -0.03 0.00 -0.02 0.00 0.00 31.44 27.77 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 -1.09 0.37 3.71 0.62 0.00 -1.26 -4.97 105.19 102.57 2e9x n GLY 19 Ca 0.08 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2e9x n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e9x s GLN 20 N -4.46 1.44 -0.30 1.61 -0.21 0.11 -4.88 119.66 112.97 2e9x s GLN 20 Ca 0.00 1.18 0.03 0.00 0.02 0.00 0.00 55.36 56.59 2e9x s GLN 20 Cb 0.00 -1.80 0.08 0.00 1.00 0.00 0.00 33.01 32.29 2e9x s GLN 20 CO 0.00 -2.22 -0.01 -1.17 -2.12 0.00 0.00 175.29 169.77 2e9x s LEU 21 N -6.29 3.97 0.81 2.90 2.96 -1.26 -4.86 118.68 116.91 2e9x s LEU 21 Ca 0.64 -1.79 -0.12 0.00 -0.22 0.00 0.00 54.13 52.64 2e9x s LEU 21 Cb -0.20 -1.51 0.08 0.00 0.50 0.00 0.00 46.19 45.06 2e9x s LEU 21 CO 0.57 -0.31 1.13 -2.16 -1.32 0.00 0.00 176.35 174.26 2e9x s PRO 22 N 1.06 1.97 0.34 0.98 0.04 -1.26 -4.90 135.00 133.23 2e9x s PRO 22 Ca 0.03 0.38 -0.28 0.00 0.04 0.00 0.00 61.00 61.17 2e9x s PRO 22 Cb -0.19 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 2e9x s PRO 22 CO -0.08 -1.64 1.28 0.00 0.04 0.00 0.00 177.00 176.60 2e9x n ALA 23 N -3.40 1.24 -1.68 8.56 0.00 -1.26 -4.82 120.51 119.15 2e9x n ALA 23 Ca 0.07 0.36 -0.45 0.00 0.00 0.00 0.00 53.44 53.42 2e9x n ALA 23 Cb 0.58 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.75 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 0.31 2.34 -2.64 0.00 7.35 -0.21 -4.85 117.46 119.76 2e9x n PHE 24 Ca 0.05 0.28 -0.43 0.00 -0.76 0.00 0.00 57.45 56.59 2e9x n PHE 24 Cb 0.36 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.65 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 3.10 5.13 0.05 -2.13 2.85 -1.26 -4.82 115.26 118.17 2e9x n ASN 25 Ca 0.15 -3.03 -0.12 0.00 -0.11 0.00 0.00 54.58 51.47 2e9x n ASN 25 Cb 0.31 -1.54 -0.05 0.00 1.24 0.00 0.00 39.78 39.73 2e9x n ASN 25 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2e9x h GLU 26 N 6.51 -0.47 -0.35 1.20 5.08 -1.99 -0.78 114.58 123.78 2e9x h GLU 26 Ca 0.36 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.81 2e9x h GLU 26 Cb 0.76 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2e9x h GLU 26 CO 1.43 -0.31 0.03 -0.44 -1.00 0.00 0.00 179.01 178.73 2e9x h ASP 27 N -0.48 -0.07 -0.28 1.42 3.32 -1.99 0.97 116.42 119.30 2e9x h ASP 27 Ca 0.07 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.21 2e9x h ASP 27 Cb 0.58 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 2e9x h ASP 27 CO -0.30 0.00 0.11 1.23 -1.72 0.00 0.00 179.24 178.56 2e9x h GLY 28 N 0.14 0.36 0.99 2.75 0.00 -1.89 0.30 103.07 105.72 2e9x h GLY 28 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.43 2e9x h GLY 28 CO -0.25 0.05 0.30 -2.00 0.00 0.00 0.00 176.54 174.63 2e9x h LEU 29 N 0.25 0.51 0.07 3.11 5.85 -0.61 -1.42 115.31 123.06 2e9x h LEU 29 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2e9x h LEU 29 Cb 0.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2e9x h LEU 29 CO -0.11 0.37 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.23 2e9x h ARG 30 N 0.60 -0.09 -0.93 1.25 2.43 -0.41 -1.02 114.38 116.21 2e9x h ARG 30 Ca 0.17 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.42 2e9x h ARG 30 Cb -0.06 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 2e9x h ARG 30 CO -0.04 -0.05 0.60 1.96 -1.51 0.00 0.00 179.97 180.93 2e9x h GLN 31 N -0.10 0.99 -0.25 0.20 4.20 -0.74 -0.35 115.11 119.06 2e9x h GLN 31 Ca -0.01 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2e9x h GLN 31 Cb 0.08 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2e9x h GLN 31 CO 0.02 0.65 -0.11 0.28 -0.67 0.00 0.00 178.83 179.00 2e9x h VAL 32 N 1.02 1.30 -0.16 -0.54 2.07 -0.95 -1.71 116.25 117.27 2e9x h VAL 32 Ca 0.41 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2e9x h VAL 32 Cb 0.27 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2e9x h VAL 32 CO -0.17 0.37 -0.05 -0.07 0.02 0.00 0.00 177.57 177.67 2e9x h LEU 33 N 0.25 0.21 -0.18 2.57 3.38 -0.51 -1.44 115.31 119.59 2e9x h LEU 33 Ca 0.06 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2e9x h LEU 33 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2e9x h LEU 33 CO 0.03 0.30 -0.40 -0.33 0.09 0.00 0.00 178.44 178.14 2e9x h GLU 34 N 0.23 0.59 -0.70 1.13 5.08 -0.94 -2.33 114.58 117.64 2e9x h GLU 34 Ca 0.05 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2e9x h GLU 34 Cb 0.24 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2e9x h GLU 34 CO 0.01 1.01 0.46 1.49 -1.00 0.00 0.00 179.01 180.98 2e9x h GLU 35 N 0.25 0.91 -0.32 2.33 4.81 -0.84 -0.64 114.58 121.08 2e9x h GLU 35 Ca 0.00 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 2e9x h GLU 35 Cb 1.01 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 2e9x h GLU 35 CO 0.09 0.60 -0.02 0.52 -0.73 0.00 0.00 179.01 179.47 2e9x h MET 36 N 0.94 0.59 -0.24 1.92 2.86 -1.19 -0.86 114.93 118.95 2e9x h MET 36 Ca 0.26 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2e9x h MET 36 Cb -0.10 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 2e9x h MET 36 CO -0.06 0.73 0.06 -0.22 1.06 0.00 0.00 176.91 178.49 2e9x h LYS 37 N 0.38 0.16 -0.79 1.72 3.64 -0.79 -0.28 116.57 120.61 2e9x h LYS 37 Ca 0.09 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2e9x h LYS 37 Cb 0.48 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 2e9x h LYS 37 CO 0.02 0.11 0.51 0.00 -2.27 0.00 0.00 179.45 177.82 2e9x h ALA 38 N 1.16 1.04 -0.46 5.00 0.00 -1.02 -1.75 119.26 123.23 2e9x h ALA 38 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2e9x h ALA 38 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2e9x h ALA 38 CO -0.13 0.33 0.13 -0.07 0.00 0.00 0.00 179.25 179.51 2e9x h LEU 39 N 1.00 0.69 -0.32 0.00 3.38 -0.60 -1.70 115.31 117.76 2e9x h LEU 39 Ca 0.31 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2e9x h LEU 39 Cb -0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2e9x h LEU 39 CO -0.11 0.73 0.20 0.22 0.09 0.00 0.00 178.44 179.57 2e9x h TYR 40 N 0.61 0.41 -0.21 1.13 3.20 -0.68 -0.92 116.97 120.51 2e9x h TYR 40 Ca 0.15 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2e9x h TYR 40 Cb 0.30 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2e9x h TYR 40 CO 0.02 0.29 0.05 0.93 -1.64 0.00 0.00 178.16 177.80 2e9x h GLU 41 N 0.41 0.35 -0.67 1.82 5.08 -1.26 -0.35 114.58 119.97 2e9x h GLU 41 Ca 0.11 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2e9x h GLU 41 Cb -0.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2e9x h GLU 41 CO -0.02 0.47 0.44 1.96 -1.00 0.00 0.00 179.01 180.86 2e9x h GLN 42 N 0.16 0.86 -0.07 2.33 4.20 -1.23 -1.45 115.11 119.92 2e9x h GLN 42 Ca 0.07 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 2e9x h GLN 42 Cb 0.28 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2e9x h GLN 42 CO 0.00 0.57 -0.60 -0.97 -0.67 0.00 0.00 178.83 177.17 2e9x h ASN 43 N 0.89 0.25 -0.37 1.46 -1.24 -0.84 -2.57 115.58 113.16 2e9x h ASN 43 Ca 0.25 -0.14 -0.12 0.00 0.71 0.00 0.00 56.30 57.00 2e9x h ASN 43 Cb -0.08 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2e9x h ASN 43 CO -0.06 0.79 -0.25 1.56 -1.29 0.00 0.00 177.43 178.18 2e9x h GLN 44 N 0.16 0.81 -0.59 6.67 4.20 -0.05 -0.49 115.11 125.83 2e9x h GLN 44 Ca -0.01 -0.39 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 2e9x h GLN 44 Cb 1.09 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 2e9x h GLN 44 CO 0.09 1.02 0.15 0.66 -0.67 0.00 0.00 178.83 180.08 2e9x h SER 45 N 0.61 0.89 -0.03 1.46 4.64 -1.33 -1.66 113.55 118.14 2e9x h SER 45 Ca 0.07 -0.23 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 2e9x h SER 45 Cb 0.81 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2e9x h SER 45 CO 0.07 0.89 -0.28 0.44 -0.87 0.00 0.00 176.83 177.08 2e9x h ASP 46 N 0.86 0.48 0.27 4.97 3.45 -1.38 -1.43 116.42 123.62 2e9x h ASP 46 Ca 0.19 -0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 2e9x h ASP 46 Cb 0.34 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 2e9x h ASP 46 CO 0.00 0.74 -0.13 0.58 -1.57 0.00 0.00 179.24 178.86 2e9x h VAL 47 N 0.41 0.78 -0.89 -1.35 2.07 -0.75 -0.23 116.25 116.29 2e9x h VAL 47 Ca 0.06 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.25 2e9x h VAL 47 Cb 0.70 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 2e9x h VAL 47 CO 0.05 0.09 0.53 0.78 0.02 0.00 0.00 177.57 179.05 2e9x h ASN 48 N -0.59 0.78 0.34 0.57 2.35 -1.24 0.24 115.58 118.03 2e9x h ASN 48 Ca -0.04 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2e9x h ASN 48 Cb 0.43 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2e9x h ASN 48 CO 0.06 0.44 -0.17 -0.08 -1.65 0.00 0.00 177.43 176.03 2e9x h GLU 49 N 0.89 0.00 0.00 0.81 4.81 -1.03 0.18 114.58 120.23 2e9x h GLU 49 Ca 0.43 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.46 2e9x h GLU 49 Cb 0.37 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2e9x h GLU 49 CO -0.24 0.17 -1.08 0.00 -0.73 0.00 0.00 179.01 177.14 2e9x h ALA 50 N 1.83 0.53 -0.04 2.92 0.00 0.12 -3.29 119.26 121.33 2e9x h ALA 50 Ca -0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 54.91 53.74 2e9x h ALA 50 Cb 0.39 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2e9x h ALA 50 CO 0.02 1.15 -0.96 -0.22 0.00 0.00 0.00 179.25 179.24 2e9x h LYS 51 N 0.00 0.69 -4.45 0.00 1.63 0.14 -3.41 116.57 111.18 2e9x h LYS 51 Ca -0.08 -0.69 -0.71 0.00 -0.85 0.00 0.00 60.65 58.32 2e9x h LYS 51 Cb 1.72 0.18 -0.29 0.00 -0.60 0.00 0.00 32.23 33.24 2e9x h LYS 51 CO 0.10 1.28 -0.47 -1.54 -3.45 0.00 0.00 179.45 175.36 2e9x s SER 52 N -7.22 5.59 0.00 4.20 1.04 0.53 -4.96 113.70 112.88 2e9x s SER 52 Ca -0.09 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.76 2e9x s SER 52 Cb 0.08 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.23 2e9x s SER 52 CO 0.91 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 175.20 2e9x n GLY 53 N 4.88 2.75 0.76 7.32 0.00 -1.26 -4.61 105.19 115.04 2e9x n GLY 53 Ca -0.09 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 0.59 1.13 1.81 -0.02 0.00 -1.26 -4.32 105.19 103.12 2e9x n GLY 54 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2e9x n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2e9x n ARG 55 N 0.44 1.31 0.00 1.61 3.00 -1.26 -4.37 116.66 117.39 2e9x n ARG 55 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.85 57.41 2e9x n ARG 55 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.21 2e9x n ARG 55 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2e9x n SER 56 N 2.06 0.16 -0.86 6.15 7.64 -1.26 -3.05 113.62 124.45 2e9x n SER 56 Ca 0.19 -1.94 0.09 0.00 1.01 0.00 0.00 58.87 58.22 2e9x n SER 56 Cb 0.62 -0.08 0.26 0.00 -1.01 0.00 0.00 64.21 64.00 2e9x n SER 56 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2e9x n ASP 57 N -0.42 2.53 0.03 6.43 5.75 -1.26 -3.75 116.55 125.86 2e9x n ASP 57 Ca 0.00 -1.92 0.11 0.00 -0.01 0.00 0.00 54.79 52.97 2e9x n ASP 57 Cb 0.04 -0.25 0.02 0.00 -1.03 0.00 0.00 41.12 39.89 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 0.88 0.61 -0.27 -2.12 4.77 -1.17 -4.36 117.00 115.34 2e9x n LEU 58 Ca 0.17 -0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.21 2e9x n LEU 58 Cb 0.43 -0.09 0.23 0.00 -2.33 0.00 0.00 43.42 41.65 2e9x n LEU 58 CO 0.13 0.05 0.94 0.40 -1.33 0.00 0.00 177.39 177.57 2e9x h ILE 59 N 0.00 0.43 -0.52 -0.08 2.04 -1.83 0.39 117.51 117.93 2e9x h ILE 59 Ca 0.00 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2e9x h ILE 59 Cb 0.73 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2e9x h ILE 59 CO 0.00 0.05 0.26 -0.65 0.00 0.00 0.00 178.15 177.80 2e9x h PRO 60 N 0.25 0.72 0.01 2.37 0.11 -1.88 0.53 132.00 134.11 2e9x h PRO 60 Ca 0.47 -0.08 -0.19 0.00 0.11 0.00 0.00 66.00 66.31 2e9x h PRO 60 Cb 0.87 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 2e9x h PRO 60 CO -0.58 0.56 -0.88 1.15 -0.21 0.00 0.00 178.00 178.04 2e9x h THR 61 N 0.73 1.53 -0.25 -1.15 2.02 -1.04 -2.11 112.91 112.64 2e9x h THR 61 Ca 0.18 -2.72 -0.04 0.00 0.77 0.00 0.00 66.41 64.60 2e9x h THR 61 Cb 0.06 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2e9x h THR 61 CO -0.03 0.79 -0.02 0.40 0.37 0.00 0.00 175.52 177.04 2e9x h ILE 62 N 0.07 1.26 -0.45 3.11 2.04 0.51 -2.01 117.51 122.04 2e9x h ILE 62 Ca -0.04 -0.95 -0.08 0.00 1.00 0.00 0.00 64.86 64.80 2e9x h ILE 62 Cb 1.52 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 2e9x h ILE 62 CO 0.13 0.30 -0.04 0.11 0.00 0.00 0.00 178.15 178.65 2e9x h LYS 63 N 0.22 0.75 -0.07 2.37 1.57 -0.94 -1.12 116.57 119.36 2e9x h LYS 63 Ca 0.07 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2e9x h LYS 63 Cb 0.44 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2e9x h LYS 63 CO 0.02 0.79 -0.06 0.35 -0.57 0.00 0.00 179.45 179.97 2e9x h PHE 64 N 0.70 -0.16 -0.08 -1.35 3.57 -1.17 0.73 116.94 119.18 2e9x h PHE 64 Ca 0.13 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 2e9x h PHE 64 Cb 0.49 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2e9x h PHE 64 CO 0.02 -0.10 -0.36 0.00 -2.23 0.00 0.00 178.31 175.64 2e9x h ARG 65 N -0.08 0.17 -0.37 1.11 3.08 -1.20 -2.34 114.38 114.74 2e9x h ARG 65 Ca 0.05 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2e9x h ARG 65 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2e9x h ARG 65 CO -0.12 0.51 0.05 1.25 -1.07 0.00 0.00 179.97 180.59 2e9x h HIS 66 N 0.15 0.67 -0.51 3.04 2.76 -0.44 -1.31 115.15 119.52 2e9x h HIS 66 Ca 0.02 -0.10 -0.09 0.00 -2.20 0.00 0.00 60.37 58.00 2e9x h HIS 66 Cb 0.71 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 2e9x h HIS 66 CO 0.01 0.68 -0.04 0.00 -1.30 0.00 0.00 177.93 177.28 2e9x h SER 68 N 0.81 0.00 -0.15 0.00 0.02 -1.25 -0.56 113.55 112.42 2e9x h SER 68 Ca 0.15 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 2e9x h SER 68 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2e9x h SER 68 CO 0.03 0.33 -0.69 -0.07 -1.14 0.00 0.00 176.83 175.29 2e9x h LEU 69 N 0.00 0.90 -0.67 5.07 3.38 -0.75 -2.12 115.31 121.12 2e9x h LEU 69 Ca -0.00 -0.55 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 2e9x h LEU 69 Cb 0.61 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2e9x h LEU 69 CO 0.04 1.34 -0.40 -0.07 0.09 0.00 0.00 178.44 179.44 2e9x h LEU 70 N 0.56 0.61 -0.53 1.67 3.38 -1.04 -2.17 115.31 117.79 2e9x h LEU 70 Ca -0.03 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2e9x h LEU 70 Cb 1.30 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2e9x h LEU 70 CO 0.14 0.94 -0.17 -0.09 0.09 0.00 0.00 178.44 179.35 2e9x h ARG 71 N 0.47 1.02 -0.47 1.13 1.12 -1.04 0.23 114.38 116.84 2e9x h ARG 71 Ca 0.04 -0.41 -0.07 0.00 -1.11 0.00 0.00 59.98 58.44 2e9x h ARG 71 Cb 0.90 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.80 2e9x h ARG 71 CO 0.08 1.09 0.04 -0.91 -3.11 0.00 0.00 179.97 177.16 2e9x h ASN 72 N 0.89 0.78 -0.48 -3.80 2.35 -1.31 -1.09 115.58 112.92 2e9x h ASN 72 Ca 0.13 -0.29 -0.08 0.00 -0.55 0.00 0.00 56.30 55.51 2e9x h ASN 72 Cb 0.74 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 2e9x h ASN 72 CO 0.06 0.87 0.02 -0.09 -1.65 0.00 0.00 177.43 176.64 2e9x h ARG 73 N 0.66 0.90 -0.18 0.81 2.43 -1.22 -0.74 114.38 117.04 2e9x h ARG 73 Ca 0.14 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2e9x h ARG 73 Cb 0.45 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2e9x h ARG 73 CO 0.02 0.88 0.06 -0.09 -1.51 0.00 0.00 179.97 179.32 2e9x h ARG 74 N 0.83 0.28 -0.66 0.20 2.43 -0.70 -1.57 114.38 115.19 2e9x h ARG 74 Ca 0.16 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2e9x h ARG 74 Cb 0.47 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2e9x h ARG 74 CO 0.02 0.39 0.20 0.00 -1.51 0.00 0.00 179.97 179.06 2e9x h THR 76 N 0.98 1.17 -0.75 0.00 2.02 -1.00 -0.14 112.91 115.19 2e9x h THR 76 Ca 0.22 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 2e9x h THR 76 Cb 0.29 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2e9x h THR 76 CO -0.01 0.17 0.26 0.58 0.37 0.00 0.00 175.52 176.90 2e9x h VAL 77 N -0.36 1.26 -0.10 3.16 2.07 -1.22 -1.67 116.25 119.40 2e9x h VAL 77 Ca -0.01 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2e9x h VAL 77 Cb 0.33 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2e9x h VAL 77 CO 0.01 0.35 0.06 0.00 0.02 0.00 0.00 177.57 178.00 2e9x h ALA 78 N 1.13 0.12 -0.15 1.67 0.00 -0.89 -0.47 119.26 120.67 2e9x h ALA 78 Ca 0.25 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.19 2e9x h ALA 78 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2e9x h ALA 78 CO -0.01 -0.40 -0.06 -0.92 0.00 0.00 0.00 179.25 177.86 2e9x h TYR 79 N 0.12 -0.13 -0.37 0.00 3.20 -0.78 -1.44 116.97 117.57 2e9x h TYR 79 Ca 0.04 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 2e9x h TYR 79 Cb -0.01 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2e9x h TYR 79 CO -0.08 -0.09 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.04 2e9x h LEU 80 N -0.03 0.76 -0.26 2.82 3.38 -1.20 -2.72 115.31 118.06 2e9x h LEU 80 Ca 0.08 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2e9x h LEU 80 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2e9x h LEU 80 CO -0.18 0.98 -0.02 0.22 0.09 0.00 0.00 178.44 179.53 2e9x h TYR 81 N 0.65 0.53 -0.58 1.13 3.20 -0.92 -2.37 116.97 118.61 2e9x h TYR 81 Ca 0.09 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2e9x h TYR 81 Cb 0.75 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.85 2e9x h TYR 81 CO 0.04 0.66 0.34 0.22 -1.64 0.00 0.00 178.16 177.77 2e9x h ASP 82 N 0.25 0.53 -0.80 -2.11 3.58 -1.23 -1.06 116.42 115.58 2e9x h ASP 82 Ca 0.07 0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.57 2e9x h ASP 82 Cb 0.46 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.37 2e9x h ASP 82 CO 0.02 0.37 0.53 0.03 -2.88 0.00 0.00 179.24 177.30 2e9x h ARG 83 N 0.66 0.95 -0.59 0.28 3.08 -1.37 -0.17 114.38 117.22 2e9x h ARG 83 Ca 0.24 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 2e9x h ARG 83 Cb 0.07 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 2e9x h ARG 83 CO -0.12 0.63 0.09 -0.07 -1.07 0.00 0.00 179.97 179.43 2e9x h LEU 84 N 0.98 0.90 -0.72 3.04 3.38 -0.72 0.16 115.31 122.33 2e9x h LEU 84 Ca 0.32 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2e9x h LEU 84 Cb 0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2e9x h LEU 84 CO -0.10 0.91 0.23 -0.07 0.09 0.00 0.00 178.44 179.50 2e9x h LEU 85 N 0.90 1.04 -0.46 1.67 3.38 0.11 0.31 115.31 122.27 2e9x h LEU 85 Ca 0.18 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2e9x h LEU 85 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2e9x h LEU 85 CO 0.01 0.97 -0.43 0.03 0.09 0.00 0.00 178.44 179.12 2e9x h ARG 86 N 1.06 0.81 -0.40 1.13 3.08 -0.75 -2.60 114.38 116.71 2e9x h ARG 86 Ca 0.23 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.74 2e9x h ARG 86 Cb 0.30 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2e9x h ARG 86 CO -0.01 1.08 -0.13 0.82 -1.07 0.00 0.00 179.97 180.65 2e9x h ILE 87 N 0.65 1.26 -0.68 2.04 2.04 -0.27 -2.21 117.51 120.35 2e9x h ILE 87 Ca 0.05 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 2e9x h ILE 87 Cb 1.00 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2e9x h ILE 87 CO 0.10 0.40 0.27 -0.09 0.00 0.00 0.00 178.15 178.82 2e9x h ARG 88 N 0.66 0.99 -0.24 2.37 1.12 -0.25 -1.94 114.38 117.10 2e9x h ARG 88 Ca 0.11 -0.16 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 2e9x h ARG 88 Cb 0.60 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 2e9x h ARG 88 CO 0.04 0.81 0.04 0.00 -3.11 0.00 0.00 179.97 177.75 2e9x h ALA 89 N 1.32 1.63 -0.67 2.80 0.00 -1.01 -2.79 119.26 120.53 2e9x h ALA 89 Ca 0.23 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2e9x h ALA 89 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2e9x h ALA 89 CO -0.02 0.28 0.44 -0.07 0.00 0.00 0.00 179.25 179.89 2e9x h LEU 90 N 0.34 0.66 -0.92 0.00 3.38 -0.96 -0.84 115.31 116.98 2e9x h LEU 90 Ca 0.08 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2e9x h LEU 90 Cb 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2e9x h LEU 90 CO -0.00 0.45 0.18 -0.09 0.09 0.00 0.00 178.44 179.07 2e9x h ARG 91 N 0.77 0.97 0.00 1.13 9.65 -1.55 0.27 114.38 125.62 2e9x h ARG 91 Ca 0.27 -0.20 -0.19 0.00 -1.10 0.00 0.00 59.98 58.76 2e9x h ARG 91 Cb 0.12 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 2e9x h ARG 91 CO -0.08 0.85 -0.97 -1.49 2.80 0.00 0.00 179.97 181.08 2e9x h TRP 92 N 0.93 0.00 0.05 2.20 4.06 -1.51 -1.88 115.95 119.80 2e9x h TRP 92 Ca 0.20 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.82 2e9x h TRP 92 Cb 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 2e9x h TRP 92 CO 0.02 0.83 -1.92 0.39 -3.56 0.00 0.00 178.44 174.20 2e9x n GLU 93 N -3.25 0.69 -0.01 0.49 1.02 -0.38 -4.55 120.64 114.66 2e9x n GLU 93 Ca -0.02 0.25 0.06 0.00 -0.02 0.00 0.00 57.16 57.43 2e9x n GLU 93 Cb 0.89 -1.72 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 2e9x n GLU 93 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2e9x n TYR 94 N -3.21 0.00 0.00 -0.32 4.02 0.93 -5.07 117.16 113.51 2e9x n TYR 94 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 2e9x n TYR 94 Cb 1.06 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 40.12 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 1.77 -1.77 0.14 2.72 0.00 -0.71 -4.60 105.19 102.75 2e9x n GLY 95 Ca -0.02 -2.03 -0.01 0.00 0.00 0.00 0.00 46.02 43.96 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 0.00 -3.63 1.61 0.02 -1.91 -3.39 113.55 106.25 2e9x h SER 96 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 2e9x h SER 96 Cb 0.00 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.26 2e9x h SER 96 CO 0.00 0.60 -0.62 -0.69 -1.14 0.00 0.00 176.83 174.98 2e9x s VAL 97 N -3.60 3.82 0.39 2.27 1.01 -1.26 -5.09 120.40 117.93 2e9x s VAL 97 Ca -0.01 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 2e9x s VAL 97 Cb 0.13 -3.06 -0.09 0.00 0.00 0.00 0.00 36.38 33.35 2e9x s VAL 97 CO 0.76 -0.04 0.82 -0.76 0.00 0.00 0.00 175.10 175.88 2e9x s LEU 98 N 1.44 3.94 0.78 3.92 1.43 -1.26 -5.01 118.68 123.92 2e9x s LEU 98 Ca 0.00 1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 2e9x s LEU 98 Cb -0.18 -4.23 0.06 0.00 0.03 0.00 0.00 46.19 41.87 2e9x s LEU 98 CO 0.02 -0.32 1.09 -2.84 0.23 0.00 0.00 176.35 174.53 2e9x s PRO 99 N -3.31 2.20 0.20 1.29 0.02 -1.26 -4.83 135.00 129.31 2e9x s PRO 99 Ca 0.56 0.70 -0.11 0.00 0.02 0.00 0.00 61.00 62.17 2e9x s PRO 99 Cb -0.10 -1.93 0.13 0.00 0.02 0.00 0.00 34.50 32.63 2e9x s PRO 99 CO 0.20 -1.55 1.85 -0.91 -0.33 0.00 0.00 177.00 176.27 2e9x h ASN 100 N -1.04 0.82 -0.85 2.53 2.35 -1.98 -1.72 115.58 115.69 2e9x h ASN 100 Ca -0.46 -0.04 0.22 0.00 -0.55 0.00 0.00 56.30 55.46 2e9x h ASN 100 Cb 1.26 -0.21 -0.13 0.00 0.05 0.00 0.00 38.32 39.29 2e9x h ASN 100 CO 0.59 0.62 0.22 0.00 -1.65 0.00 0.00 177.43 177.20 2e9x h ALA 101 N 1.24 1.19 0.00 -0.83 0.00 -1.99 0.27 119.26 119.14 2e9x h ALA 101 Ca 0.25 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 2e9x h ALA 101 Cb -0.07 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2e9x h ALA 101 CO -0.05 -0.43 -0.09 -0.07 0.00 0.00 0.00 179.25 178.60 2e9x h LEU 102 N 0.22 0.00 -0.81 0.00 3.38 -1.86 -3.31 115.31 112.93 2e9x h LEU 102 Ca 0.52 -0.88 0.08 0.00 0.09 0.00 0.00 57.88 57.69 2e9x h LEU 102 Cb 1.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 2e9x h LEU 102 CO -0.62 0.99 0.48 0.03 0.09 0.00 0.00 178.44 179.41 2e9x h ARG 103 N -1.00 0.82 0.00 1.13 3.08 -0.90 -1.06 114.38 116.45 2e9x h ARG 103 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2e9x h ARG 103 Cb 0.94 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2e9x h ARG 103 CO -0.02 0.54 0.00 1.19 -1.07 0.00 0.00 179.97 180.62 2e9x n PHE 104 N -4.70 0.60 0.98 3.04 0.99 0.92 -1.66 117.46 117.63 2e9x n PHE 104 Ca 0.12 0.26 0.11 0.00 -0.00 0.00 0.00 57.45 57.95 2e9x n PHE 104 Cb 0.22 -0.92 0.05 0.00 -1.00 0.00 0.00 39.48 37.84 2e9x n PHE 104 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 2e9x n HIS 105 N -2.07 0.00 -3.92 1.38 8.25 -0.42 -4.89 115.22 113.55 2e9x n HIS 105 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 2e9x n HIS 105 Cb 0.15 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.18 3.41 0.72 -0.41 -1.94 -0.66 -1.04 119.30 117.19 2e9x s MET 106 Ca 0.23 -0.35 -0.11 0.00 -1.71 0.00 0.00 55.69 53.75 2e9x s MET 106 Cb 0.19 -3.07 0.02 0.00 2.01 0.00 0.00 34.83 33.98 2e9x s MET 106 CO 0.42 0.66 1.07 0.00 -0.01 0.00 0.00 175.02 177.16 2e9x s ALA 107 N -1.35 2.57 0.44 3.03 0.00 -1.26 -4.86 121.76 120.33 2e9x s ALA 107 Ca 0.28 0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.47 2e9x s ALA 107 Cb -0.13 -3.20 0.98 0.00 0.00 0.00 0.00 23.12 20.78 2e9x s ALA 107 CO 0.20 -1.37 2.05 0.00 0.00 0.00 0.00 175.76 176.64 2e9x h ALA 108 N -0.83 1.75 0.00 0.00 0.00 -1.98 -1.07 119.26 117.12 2e9x h ALA 108 Ca -0.44 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2e9x h ALA 108 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2e9x h ALA 108 CO 0.55 0.20 -0.47 0.93 0.00 0.00 0.00 179.25 180.46 2e9x h GLU 109 N 0.27 0.00 -0.23 0.00 3.07 -1.99 -2.08 114.58 113.62 2e9x h GLU 109 Ca 0.07 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.73 2e9x h GLU 109 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2e9x h GLU 109 CO -0.01 0.47 -0.62 0.93 -1.40 0.00 0.00 179.01 178.39 2e9x h GLU 110 N 0.00 0.82 -0.39 2.33 5.08 -1.57 -0.80 114.58 120.06 2e9x h GLU 110 Ca -0.00 -0.58 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 2e9x h GLU 110 Cb 0.94 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2e9x h GLU 110 CO 0.06 1.20 -0.01 1.98 -1.00 0.00 0.00 179.01 181.24 2e9x h MET 111 N 0.58 0.62 -0.40 2.33 4.05 -1.23 -0.11 114.93 120.76 2e9x h MET 111 Ca -0.01 -0.15 -0.14 0.00 -0.28 0.00 0.00 59.70 59.12 2e9x h MET 111 Cb 1.24 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.95 2e9x h MET 111 CO 0.13 0.65 -0.31 1.49 0.23 0.00 0.00 176.91 179.10 2e9x h GLU 112 N 0.58 0.90 -0.47 0.39 4.81 -1.20 0.31 114.58 119.91 2e9x h GLU 112 Ca 0.12 -0.43 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2e9x h GLU 112 Cb 0.39 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2e9x h GLU 112 CO 0.01 1.08 0.21 2.35 -0.73 0.00 0.00 179.01 181.94 2e9x h TRP 113 N 0.75 0.68 -0.75 0.92 7.01 -0.59 -1.05 115.95 122.94 2e9x h TRP 113 Ca 0.08 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.05 2e9x h TRP 113 Cb 0.88 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.70 2e9x h TRP 113 CO 0.05 0.56 0.49 0.35 -2.79 0.00 0.00 178.44 177.10 2e9x h PHE 114 N 0.61 0.93 -0.06 2.65 3.57 -0.73 0.03 116.94 123.95 2e9x h PHE 114 Ca 0.16 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 2e9x h PHE 114 Cb 0.14 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2e9x h PHE 114 CO -0.01 0.58 -0.57 -0.91 -2.23 0.00 0.00 178.31 175.18 2e9x h ASN 115 N 1.00 0.22 -0.36 0.41 2.35 -0.66 0.18 115.58 118.73 2e9x h ASN 115 Ca 0.28 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 2e9x h ASN 115 Cb -0.10 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2e9x h ASN 115 CO -0.07 0.74 -0.14 0.78 -1.65 0.00 0.00 177.43 177.09 2e9x h ASN 116 N 0.15 0.74 0.15 5.81 2.35 -0.73 -1.52 115.58 122.54 2e9x h ASN 116 Ca -0.00 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2e9x h ASN 116 Cb 1.04 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2e9x h ASN 116 CO 0.08 0.96 -0.07 0.22 -1.65 0.00 0.00 177.43 176.97 2e9x h TYR 117 N 0.51 -0.19 -0.81 1.19 3.20 -0.80 -1.29 116.97 118.78 2e9x h TYR 117 Ca 0.08 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.02 2e9x h TYR 117 Cb 0.67 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 2e9x h TYR 117 CO 0.06 -0.07 0.53 -0.22 -1.64 0.00 0.00 178.16 176.81 2e9x h LYS 118 N -0.26 0.84 -0.25 1.82 3.64 -0.94 0.11 116.57 121.53 2e9x h LYS 118 Ca -0.02 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 2e9x h LYS 118 Cb 0.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2e9x h LYS 118 CO 0.03 0.55 -0.51 -0.09 -2.27 0.00 0.00 179.45 177.17 2e9x h ARG 119 N 0.86 0.79 -0.49 1.90 2.43 -1.06 -2.09 114.38 116.73 2e9x h ARG 119 Ca 0.35 -0.51 -0.07 0.00 -0.81 0.00 0.00 59.98 58.94 2e9x h ARG 119 Cb 0.27 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2e9x h ARG 119 CO -0.13 1.14 0.00 0.77 -1.51 0.00 0.00 179.97 180.24 2e9x h SER 120 N 0.54 0.78 -0.27 -3.80 0.02 -0.42 -2.06 113.55 108.34 2e9x h SER 120 Ca 0.01 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 2e9x h SER 120 Cb 1.12 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2e9x h SER 120 CO 0.11 0.85 -0.08 0.25 -1.14 0.00 0.00 176.83 176.82 2e9x h LEU 121 N 0.76 0.54 -1.01 5.07 5.85 -0.96 -1.56 115.31 124.00 2e9x h LEU 121 Ca 0.15 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.54 2e9x h LEU 121 Cb 0.46 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2e9x h LEU 121 CO 0.02 0.79 0.66 0.00 -0.34 0.00 0.00 178.44 179.57 2e9x h ALA 122 N 0.77 1.35 -0.26 1.25 0.00 -1.22 0.04 119.26 121.18 2e9x h ALA 122 Ca 0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2e9x h ALA 122 Cb 0.56 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2e9x h ALA 122 CO 0.03 0.54 -0.11 1.15 0.00 0.00 0.00 179.25 180.86 2e9x h THR 123 N 1.26 1.29 0.27 0.00 2.02 -1.26 -1.56 112.91 114.93 2e9x h THR 123 Ca 0.41 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 2e9x h THR 123 Cb 0.03 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2e9x h THR 123 CO -0.13 0.37 -0.22 0.22 0.37 0.00 0.00 175.52 176.12 2e9x h TYR 124 N 0.28 -0.59 -0.73 3.16 3.20 -0.75 -1.71 116.97 119.83 2e9x h TYR 124 Ca 0.06 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.00 2e9x h TYR 124 Cb 0.60 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.05 2e9x h TYR 124 CO 0.06 -0.33 0.48 0.52 -1.64 0.00 0.00 178.16 177.24 2e9x h MET 125 N -0.50 0.73 0.00 1.82 2.86 -0.98 -1.42 114.93 117.43 2e9x h MET 125 Ca -0.01 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2e9x h MET 125 Cb 0.45 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2e9x h MET 125 CO -0.02 0.48 -0.24 0.00 1.06 0.00 0.00 176.91 178.19 2e9x h ARG 126 N 0.75 0.00 -0.16 1.72 3.08 -1.03 0.19 114.38 118.93 2e9x h ARG 126 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2e9x h ARG 126 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2e9x h ARG 126 CO -0.11 0.24 0.00 -1.13 -1.07 0.00 0.00 179.97 177.90 2e9x n SER 127 N -3.27 1.48 0.00 7.04 3.41 -0.54 -3.58 113.62 118.15 2e9x n SER 127 Ca 0.01 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 2e9x n SER 127 Cb 0.51 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2e9x n SER 127 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2e9x n LEU 128 N 0.21 0.84 -4.58 1.04 4.77 -1.16 -4.82 117.00 113.29 2e9x n LEU 128 Ca 0.15 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 2e9x n LEU 128 Cb 0.29 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 2e9x n LEU 128 CO 0.12 -0.36 0.45 -0.83 -1.33 0.00 0.00 177.39 175.44 2e9x s GLY 129 N -1.68 1.72 -0.02 -0.72 0.00 -1.26 -4.82 107.32 100.55 2e9x s GLY 129 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 2e9x s GLY 129 CO 0.00 1.57 0.05 0.61 0.00 0.00 0.00 173.10 175.33 2e9x n GLY 130 N 4.58 0.00 4.14 0.20 0.00 -1.26 0.17 105.19 113.03 2e9x n GLY 130 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2e9x n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2e9x n ASP 131 N 0.14 -0.37 0.00 1.61 9.92 -1.26 -4.45 116.55 122.14 2e9x n ASP 131 Ca 0.01 -1.18 0.00 0.00 -0.53 0.00 0.00 54.79 53.09 2e9x n ASP 131 Cb -0.00 -2.18 0.00 0.00 -0.64 0.00 0.00 41.12 38.30 2e9x n ASP 131 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2e9x n GLU 132 N -4.56 0.00 0.00 -1.24 4.07 -0.19 -5.16 120.64 113.56 2e9x n GLU 132 Ca -0.29 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.81 2e9x n GLU 132 Cb 0.67 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.05 2e9x n GLU 132 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e9x n GLY 133 N 0.00 -1.76 3.15 8.31 0.00 0.46 -4.78 105.19 110.57 2e9x n GLY 133 Ca 0.00 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.35 -0.74 0.99 2.96 0.05 -4.17 118.68 117.41 2e9x s LEU 134 Ca 0.00 0.79 -0.26 0.00 -0.22 0.00 0.00 54.13 54.44 2e9x s LEU 134 Cb 0.00 1.05 0.04 0.00 0.50 0.00 0.00 46.19 47.78 2e9x s LEU 134 CO 0.00 -0.22 1.22 -0.62 -1.32 0.00 0.00 176.35 175.41 2e9x s ASP 135 N 2.26 6.18 0.00 3.68 -1.08 -1.26 -4.67 116.67 121.78 2e9x s ASP 135 Ca -0.02 -0.63 0.09 0.00 -0.52 0.00 0.00 52.55 51.47 2e9x s ASP 135 Cb -0.11 -2.53 0.39 0.00 -1.46 0.00 0.00 42.92 39.21 2e9x s ASP 135 CO -0.11 -1.73 1.28 2.30 0.52 0.00 0.00 175.17 177.43 2e9x n ILE 136 N 6.30 0.16 0.90 4.11 -5.35 -1.26 -2.71 119.36 121.51 2e9x n ILE 136 Ca 0.03 -0.18 0.13 0.00 -0.27 0.00 0.00 62.75 62.46 2e9x n ILE 136 Cb 0.48 0.06 0.36 0.00 -1.74 0.00 0.00 39.64 38.80 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 -0.16 0.11 -3.09 7.28 -2.24 -1.26 -4.82 114.28 110.10 2e9x n THR 137 Ca 0.08 -0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 2e9x n THR 137 Cb 0.14 -0.11 0.01 0.00 -2.10 0.00 0.00 70.33 68.27 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 -3.04 2.88 -1.19 -0.78 -1.52 -1.10 -4.60 119.66 110.32 2e9x s GLN 138 Ca 0.11 -1.11 -0.02 0.00 -1.95 0.00 0.00 55.36 52.39 2e9x s GLN 138 Cb 0.17 -2.74 -0.01 0.00 -0.22 0.00 0.00 33.01 30.20 2e9x s GLN 138 CO 0.64 -0.23 0.93 -0.25 -0.25 0.00 0.00 175.29 176.13 2e9x n ASP 139 N -1.85 -2.84 0.24 5.90 10.43 -1.26 -4.89 116.55 122.28 2e9x n ASP 139 Ca 0.06 -0.68 0.14 0.00 2.57 0.00 0.00 54.79 56.87 2e9x n ASP 139 Cb 0.59 -4.91 0.35 0.00 1.84 0.00 0.00 41.12 38.99 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 -5.67 -1.24 2.86 -1.89 -3.45 114.93 103.80 2e9x h MET 140 Ca -0.60 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 56.56 2e9x h MET 140 Cb 1.34 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.77 2e9x h MET 140 CO 0.50 0.01 -0.80 0.15 1.06 0.00 0.00 176.91 177.82 2e9x s LYS 141 N -3.37 0.99 0.74 1.72 1.02 -1.26 -5.14 119.74 114.44 2e9x s LYS 141 Ca 0.05 -0.98 -0.14 0.00 0.02 0.00 0.00 55.97 54.92 2e9x s LYS 141 Cb 0.06 -1.09 0.05 0.00 -0.52 0.00 0.00 37.83 36.33 2e9x s LYS 141 CO 0.63 0.26 1.18 -1.25 -0.92 0.00 0.00 175.35 175.24 2e9x s PRO 142 N -1.62 2.14 0.08 -1.68 0.04 -1.26 -4.89 135.00 127.80 2e9x s PRO 142 Ca 0.02 1.63 -0.37 0.00 0.04 0.00 0.00 61.00 62.33 2e9x s PRO 142 Cb -0.09 -1.85 -0.18 0.00 0.04 0.00 0.00 34.50 32.42 2e9x s PRO 142 CO 0.03 -1.81 1.16 -2.30 0.04 0.00 0.00 177.00 174.11 2e9x n PRO 143 N -2.88 0.66 0.00 0.56 -0.02 -1.26 -5.19 135.00 126.87 2e9x n PRO 143 Ca 0.12 0.24 0.15 0.00 -2.02 0.00 0.00 63.50 61.99 2e9x n PRO 143 Cb 0.51 -1.76 0.86 0.00 -0.02 0.00 0.00 33.50 33.09 2e9x n PRO 143 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84