#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bet s MET 4 N 0.00 0.42 0.05 1.61 1.00 -1.26 -5.02 119.30 116.11 2bet s MET 4 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 55.69 55.89 2bet s MET 4 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 34.83 34.98 2bet s MET 4 CO 0.00 -0.05 1.13 1.03 0.00 0.00 0.00 175.02 177.13 2bet s ARG 5 N 0.21 4.48 -0.15 2.03 0.52 -1.26 -1.85 118.95 122.92 2bet s ARG 5 Ca -0.00 1.67 -0.00 0.00 -0.52 0.00 0.00 55.73 56.88 2bet s ARG 5 Cb -0.03 -3.37 0.04 0.00 0.52 0.00 0.00 34.95 32.11 2bet s ARG 5 CO 0.00 -0.18 -0.07 0.08 0.02 0.00 0.00 175.30 175.16 2bet s VAL 6 N 0.94 1.18 -0.18 3.52 1.01 -1.02 -2.16 120.40 123.70 2bet s VAL 6 Ca 0.56 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.75 2bet s VAL 6 Cb -0.27 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2bet s VAL 6 CO 0.29 0.22 0.62 -0.31 0.00 0.00 0.00 175.10 175.92 2bet s TYR 7 N 1.61 3.41 -0.11 5.22 1.51 -0.76 -1.46 117.35 126.78 2bet s TYR 7 Ca 0.02 0.95 0.01 0.00 -1.01 0.00 0.00 57.07 57.04 2bet s TYR 7 Cb -0.14 -2.77 -0.02 0.00 -0.11 0.00 0.00 41.96 38.92 2bet s TYR 7 CO -0.08 -0.11 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.59 2bet s LEU 8 N 1.67 2.63 0.08 -1.29 1.02 -0.80 -1.14 118.68 120.84 2bet s LEU 8 Ca 0.29 -0.33 0.06 0.00 0.02 0.00 0.00 54.13 54.17 2bet s LEU 8 Cb -0.16 -1.57 -0.03 0.00 0.02 0.00 0.00 46.19 44.45 2bet s LEU 8 CO 0.11 0.20 -0.17 -0.83 0.02 0.00 0.00 176.35 175.68 2bet s GLY 9 N 0.11 1.02 -0.22 -3.19 0.00 -0.74 -1.42 107.32 102.89 2bet s GLY 9 Ca -0.07 -1.09 -0.28 0.00 0.00 0.00 0.00 44.72 43.29 2bet s GLY 9 CO 0.05 -1.09 1.02 0.00 0.00 0.00 0.00 173.10 173.07 2bet s ALA 10 N -1.16 -1.95 0.66 3.20 0.00 -0.55 -0.84 121.76 121.11 2bet s ALA 10 Ca 0.02 1.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.68 2bet s ALA 10 Cb -0.10 -1.05 0.06 0.00 0.00 0.00 0.00 23.12 22.03 2bet s ALA 10 CO 0.03 -0.27 0.36 -0.40 0.00 0.00 0.00 175.76 175.48 2bet n ASP 11 N 1.41 0.31 -0.33 0.00 5.75 -1.23 -1.11 116.55 121.35 2bet n ASP 11 Ca -0.11 -1.30 0.18 0.00 -0.01 0.00 0.00 54.79 53.54 2bet n ASP 11 Cb 0.57 -0.25 0.42 0.00 -1.03 0.00 0.00 41.12 40.83 2bet n ASP 11 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 2bet h HIS 12 N -0.72 0.86 -0.04 2.11 2.07 -1.84 -0.89 115.15 116.70 2bet h HIS 12 Ca -0.12 0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 57.34 2bet h HIS 12 Cb 0.40 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 30.11 2bet h HIS 12 CO 0.00 0.14 -0.41 0.00 -3.07 0.00 0.00 177.93 174.59 2bet h ALA 13 N 1.65 1.24 -0.45 6.11 0.00 -1.91 -3.02 119.26 122.87 2bet h ALA 13 Ca 0.58 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bet h ALA 13 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2bet h ALA 13 CO -0.34 0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2bet n GLY 14 N -0.28 2.63 0.08 0.00 0.00 -0.88 -4.47 105.19 102.27 2bet n GLY 14 Ca -0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 2bet n GLY 14 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bet h TYR 15 N 2.68 0.13 -0.16 1.61 3.20 -1.05 -1.54 116.97 121.84 2bet h TYR 15 Ca 0.00 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2bet h TYR 15 Cb 0.80 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2bet h TYR 15 CO 0.30 0.40 -0.29 0.93 -1.64 0.00 0.00 178.16 177.86 2bet h GLU 16 N -0.17 0.31 -0.02 1.82 4.39 -1.86 -2.43 114.58 116.62 2bet h GLU 16 Ca 0.02 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.43 2bet h GLU 16 Cb 0.35 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2bet h GLU 16 CO 0.00 0.58 -0.76 1.25 -1.16 0.00 0.00 179.01 178.92 2bet h LEU 17 N 0.28 0.19 -0.71 1.33 5.85 -1.88 -3.10 115.31 117.27 2bet h LEU 17 Ca 0.04 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2bet h LEU 17 Cb 0.66 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2bet h LEU 17 CO 0.05 0.88 0.07 0.50 -0.34 0.00 0.00 178.44 179.59 2bet h LYS 18 N 0.10 1.06 -0.22 1.25 3.64 -0.82 -1.40 116.57 120.17 2bet h LYS 18 Ca -0.02 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 2bet h LYS 18 Cb 1.34 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2bet h LYS 18 CO 0.11 0.99 -0.27 1.96 -2.27 0.00 0.00 179.45 179.97 2bet h GLN 19 N 0.98 0.43 -0.10 1.90 1.08 -1.48 -1.50 115.11 116.42 2bet h GLN 19 Ca 0.19 -0.16 -0.14 0.00 -1.45 0.00 0.00 58.65 57.09 2bet h GLN 19 Cb 0.47 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2bet h GLN 19 CO 0.02 0.67 -0.55 0.00 -0.95 0.00 0.00 178.83 178.02 2bet h ARG 20 N 0.38 0.28 0.00 1.46 3.08 -1.41 -2.81 114.38 115.36 2bet h ARG 20 Ca 0.05 -0.18 -0.20 0.00 0.07 0.00 0.00 59.98 59.73 2bet h ARG 20 Cb 0.68 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2bet h ARG 20 CO 0.05 0.76 -0.87 0.82 -1.07 0.00 0.00 179.97 179.66 2bet h ILE 21 N 0.22 1.49 -0.57 2.04 2.04 -0.98 -2.38 117.51 119.37 2bet h ILE 21 Ca 0.00 -2.60 -0.06 0.00 1.00 0.00 0.00 64.86 63.20 2bet h ILE 21 Cb 1.03 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 39.54 2bet h ILE 21 CO 0.09 0.76 0.11 0.40 0.00 0.00 0.00 178.15 179.51 2bet h ILE 22 N 0.11 1.25 -0.46 -0.67 2.04 -1.25 -1.40 117.51 117.14 2bet h ILE 22 Ca -0.04 -0.94 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 2bet h ILE 22 Cb 1.50 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 2bet h ILE 22 CO 0.13 0.34 -0.20 -0.08 0.00 0.00 0.00 178.15 178.34 2bet h GLU 23 N 0.83 0.93 -0.22 2.37 4.57 -1.49 -2.46 114.58 119.11 2bet h GLU 23 Ca 0.18 -0.38 -0.09 0.00 -1.18 0.00 0.00 59.36 57.88 2bet h GLU 23 Cb 0.38 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2bet h GLU 23 CO 0.01 1.04 -0.27 1.25 -1.18 0.00 0.00 179.01 179.86 2bet h HIS 24 N 0.81 0.47 -0.01 0.92 2.76 -1.27 -2.75 115.15 116.07 2bet h HIS 24 Ca 0.11 -0.10 -0.19 0.00 -2.20 0.00 0.00 60.37 57.99 2bet h HIS 24 Cb 0.76 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 2bet h HIS 24 CO 0.05 0.65 -0.83 -0.07 -1.30 0.00 0.00 177.93 176.43 2bet h LEU 25 N 0.37 0.23 -0.76 0.26 3.38 -1.14 -2.62 115.31 115.02 2bet h LEU 25 Ca 0.05 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2bet h LEU 25 Cb 0.67 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2bet h LEU 25 CO 0.05 0.95 0.13 0.11 0.09 0.00 0.00 178.44 179.77 2bet h LYS 26 N 0.10 1.07 0.00 1.13 1.57 -1.34 -0.35 116.57 118.76 2bet h LYS 26 Ca -0.03 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2bet h LYS 26 Cb 1.43 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2bet h LYS 26 CO 0.12 0.97 0.00 1.04 -0.57 0.00 0.00 179.45 181.01 2bet n GLN 27 N -4.22 0.22 -0.44 3.15 6.02 -1.05 -3.16 117.38 117.90 2bet n GLN 27 Ca 0.05 0.21 0.08 0.00 -0.01 0.00 0.00 57.00 57.33 2bet n GLN 27 Cb 0.28 -1.77 0.27 0.00 1.02 0.00 0.00 30.24 30.04 2bet n GLN 27 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2bet n THR 28 N -2.16 1.67 -0.48 5.09 -2.24 -1.00 -4.97 114.28 110.19 2bet n THR 28 Ca 0.05 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 2bet n THR 28 Cb 0.39 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2bet n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bet n GLY 29 N 0.58 0.76 3.99 3.38 0.00 -1.15 -4.97 105.19 107.78 2bet n GLY 29 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2bet n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bet s HIS 30 N -2.19 2.80 -0.53 1.61 3.76 -0.15 -4.46 115.29 116.13 2bet s HIS 30 Ca 0.00 -0.24 0.04 0.00 -0.15 0.00 0.00 55.06 54.71 2bet s HIS 30 Cb 0.00 -2.54 0.13 0.00 1.11 0.00 0.00 32.58 31.28 2bet s HIS 30 CO 0.00 -0.63 0.27 -2.00 -0.85 0.00 0.00 174.74 171.53 2bet s GLU 31 N -4.53 2.00 0.24 1.40 2.12 -0.77 -4.13 118.70 115.02 2bet s GLU 31 Ca 0.56 -2.66 -0.30 0.00 0.36 0.00 0.00 54.97 52.93 2bet s GLU 31 Cb -0.10 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 2bet s GLU 31 CO 0.35 -1.12 1.13 -1.25 -0.54 0.00 0.00 175.26 173.84 2bet s PRO 32 N -0.35 4.58 -0.17 4.30 0.04 -1.26 -2.43 135.00 139.70 2bet s PRO 32 Ca 0.17 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.04 2bet s PRO 32 Cb -0.25 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.10 2bet s PRO 32 CO -0.01 0.10 -0.18 0.42 0.04 0.00 0.00 177.00 177.37 2bet s ILE 33 N -0.72 1.90 -0.40 0.56 1.01 -0.54 -4.92 121.20 118.09 2bet s ILE 33 Ca 0.48 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 60.02 2bet s ILE 33 Cb -0.32 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.43 2bet s ILE 33 CO 0.39 0.50 0.89 -0.62 0.00 0.00 0.00 174.94 176.10 2bet s ASP 34 N 1.35 6.58 0.00 3.58 3.68 -1.26 -1.91 116.67 128.70 2bet s ASP 34 Ca 0.05 0.36 0.27 0.00 2.13 0.00 0.00 52.55 55.36 2bet s ASP 34 Cb -0.13 -2.44 0.96 0.00 -1.45 0.00 0.00 42.92 39.85 2bet s ASP 34 CO -0.12 -0.89 1.70 0.00 0.13 0.00 0.00 175.17 175.99 2bet n GLY 36 N 1.36 2.96 3.78 0.00 0.00 -1.25 -4.89 105.19 107.15 2bet n GLY 36 Ca 0.11 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.86 2bet n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bet s ALA 37 N -2.72 3.23 0.09 4.61 0.00 -0.27 -1.49 121.76 125.22 2bet s ALA 37 Ca 0.00 0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.58 2bet s ALA 37 Cb 0.00 -3.19 -0.22 0.00 0.00 0.00 0.00 23.12 19.71 2bet s ALA 37 CO 0.00 0.17 1.19 -0.07 0.00 0.00 0.00 175.76 177.05 2bet h LEU 38 N 3.32 0.03 -9.26 0.00 3.38 -1.91 -3.47 115.31 107.40 2bet h LEU 38 Ca -0.46 -0.04 -0.49 0.00 0.09 0.00 0.00 57.88 56.98 2bet h LEU 38 Cb 1.19 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 2bet h LEU 38 CO 0.65 1.03 -0.62 0.00 0.09 0.00 0.00 178.44 179.60 2bet s ARG 39 N -2.69 1.67 -0.31 1.13 1.70 -1.26 -5.11 118.95 114.07 2bet s ARG 39 Ca -0.00 -1.92 -0.29 0.00 -0.47 0.00 0.00 55.73 53.05 2bet s ARG 39 Cb 0.10 -0.99 0.02 0.00 -0.57 0.00 0.00 34.95 33.50 2bet s ARG 39 CO 0.82 -0.14 1.09 -0.47 -1.08 0.00 0.00 175.30 175.52 2bet s TYR 40 N -3.19 3.14 -0.22 5.89 5.04 -1.26 -4.94 117.35 121.81 2bet s TYR 40 Ca 0.35 1.20 -0.00 0.00 -2.44 0.00 0.00 57.07 56.18 2bet s TYR 40 Cb 0.08 -3.67 0.06 0.00 0.35 0.00 0.00 41.96 38.78 2bet s TYR 40 CO 0.15 -0.81 -0.03 0.34 -1.34 0.00 0.00 175.55 173.86 2bet s ASP 41 N 1.68 3.51 0.62 4.32 -1.08 -1.26 -5.03 116.67 119.43 2bet s ASP 41 Ca 0.46 -1.04 0.40 0.00 -0.52 0.00 0.00 52.55 51.85 2bet s ASP 41 Cb -0.13 -1.00 2.04 0.00 -1.46 0.00 0.00 42.92 42.37 2bet s ASP 41 CO 0.15 -0.25 2.24 0.00 0.52 0.00 0.00 175.17 177.83 2bet h ALA 42 N 8.04 1.04 -0.35 3.66 0.00 -1.95 -2.68 119.26 127.02 2bet h ALA 42 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2bet h ALA 42 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2bet h ALA 42 CO 0.39 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.40 2bet n ASP 43 N -3.15 2.94 -4.83 0.00 8.00 -1.26 -4.90 116.55 113.34 2bet n ASP 43 Ca -0.02 -1.93 -0.31 0.00 0.71 0.00 0.00 54.79 53.24 2bet n ASP 43 Cb 0.15 -0.23 0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2bet n ASP 43 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2bet s ASP 44 N -1.02 5.55 -0.12 -2.24 1.47 -1.01 -5.05 116.67 114.27 2bet s ASP 44 Ca 0.26 1.53 -0.02 0.00 1.18 0.00 0.00 52.55 55.50 2bet s ASP 44 Cb 0.14 -2.45 -0.03 0.00 -0.34 0.00 0.00 42.92 40.24 2bet s ASP 44 CO 0.18 -1.32 -0.05 -1.81 0.68 0.00 0.00 175.17 172.85 2bet s ASP 45 N -3.92 4.72 0.24 2.11 1.01 -1.26 -4.68 116.67 114.88 2bet s ASP 45 Ca 0.57 -0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.74 2bet s ASP 45 Cb -0.13 -1.54 0.26 0.00 1.01 0.00 0.00 42.92 42.53 2bet s ASP 45 CO 0.55 0.25 1.64 0.10 0.21 0.00 0.00 175.17 177.92 2bet h TYR 46 N 6.08 0.69 -0.69 4.23 -0.00 -1.96 -3.37 116.97 121.95 2bet h TYR 46 Ca -0.38 -0.17 0.15 0.00 0.00 0.00 0.00 58.73 58.32 2bet h TYR 46 Cb 1.19 -0.16 -0.11 0.00 0.00 0.00 0.00 36.73 37.65 2bet h TYR 46 CO 0.55 0.84 0.12 -1.35 -0.00 0.00 0.00 178.16 178.32 2bet h PRO 47 N 0.51 0.22 -0.47 0.10 0.11 -1.96 -2.01 132.00 128.50 2bet h PRO 47 Ca 0.06 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 2bet h PRO 47 Cb 0.79 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 2bet h PRO 47 CO 0.06 0.14 0.03 0.00 -0.21 0.00 0.00 178.00 178.03 2bet h ALA 48 N 1.58 1.16 -0.23 -0.75 0.00 -1.99 0.07 119.26 119.10 2bet h ALA 48 Ca 0.38 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2bet h ALA 48 Cb 0.63 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2bet h ALA 48 CO -0.51 0.55 -0.48 0.74 0.00 0.00 0.00 179.25 179.55 2bet h PHE 49 N 0.72 0.74 0.03 0.00 0.05 -1.61 -2.06 116.94 114.81 2bet h PHE 49 Ca 0.15 -0.24 -0.22 0.00 3.82 0.00 0.00 57.97 61.48 2bet h PHE 49 Cb 0.40 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 2bet h PHE 49 CO 0.02 0.97 -0.97 0.00 -0.18 0.00 0.00 178.31 178.15 2bet h ILE 51 N 0.12 1.33 -0.26 0.00 2.04 -1.00 -1.91 117.51 117.83 2bet h ILE 51 Ca -0.07 -1.75 -0.15 0.00 1.00 0.00 0.00 64.86 63.90 2bet h ILE 51 Cb 1.63 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2bet h ILE 51 CO 0.15 0.54 -0.42 0.00 0.00 0.00 0.00 178.15 178.42 2bet h ALA 52 N 1.11 0.40 -0.34 1.87 0.00 -1.36 -1.82 119.26 119.13 2bet h ALA 52 Ca 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 2bet h ALA 52 Cb 1.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2bet h ALA 52 CO 0.09 0.52 -0.41 0.00 0.00 0.00 0.00 179.25 179.45 2bet h ALA 53 N 0.66 0.63 -0.10 0.00 0.00 -1.40 -2.41 119.26 116.63 2bet h ALA 53 Ca 0.02 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 2bet h ALA 53 Cb 1.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bet h ALA 53 CO 0.10 0.67 -0.76 0.00 0.00 0.00 0.00 179.25 179.26 2bet h ALA 54 N 0.85 0.47 -0.29 0.00 0.00 -1.39 -2.15 119.26 116.75 2bet h ALA 54 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2bet h ALA 54 Cb 0.99 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2bet h ALA 54 CO 0.09 0.74 0.05 1.15 0.00 0.00 0.00 179.25 181.28 2bet h THR 55 N 0.37 1.23 0.00 0.00 2.02 -1.34 -2.50 112.91 112.69 2bet h THR 55 Ca -0.04 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.25 2bet h THR 55 Cb 1.36 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2bet h THR 55 CO 0.14 0.25 -0.51 0.03 0.37 0.00 0.00 175.52 175.80 2bet h ARG 56 N 0.30 0.00 -0.14 6.66 3.08 -1.46 -2.53 114.38 120.29 2bet h ARG 56 Ca 0.09 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 2bet h ARG 56 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2bet h ARG 56 CO 0.00 0.51 -0.31 1.15 -1.07 0.00 0.00 179.97 180.25 2bet h THR 57 N 0.00 1.36 -0.32 2.04 2.02 -1.35 -3.01 112.91 113.66 2bet h THR 57 Ca -0.01 -1.59 -0.10 0.00 0.77 0.00 0.00 66.41 65.49 2bet h THR 57 Cb 0.99 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 2bet h THR 57 CO 0.07 0.47 -0.20 0.58 0.37 0.00 0.00 175.52 176.81 2bet h VAL 58 N 0.08 1.26 -0.02 3.16 2.07 -1.42 -2.77 116.25 118.61 2bet h VAL 58 Ca 0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2bet h VAL 58 Cb 0.92 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2bet h VAL 58 CO 0.07 0.40 0.00 0.00 0.02 0.00 0.00 177.57 178.06 2bet n ALA 59 N -2.49 2.64 -3.83 1.67 0.00 -0.96 -4.59 120.51 112.95 2bet n ALA 59 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2bet n ALA 59 Cb 0.39 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 2bet n ALA 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bet s ASP 60 N -1.86 4.18 0.25 0.00 2.15 -1.04 -5.06 116.67 115.28 2bet s ASP 60 Ca 0.40 -2.15 -0.31 0.00 0.43 0.00 0.00 52.55 50.92 2bet s ASP 60 Cb 0.19 -1.20 -0.12 0.00 -0.30 0.00 0.00 42.92 41.49 2bet s ASP 60 CO 0.32 -0.35 1.57 -2.65 -0.17 0.00 0.00 175.17 173.88 2bet n PRO 61 N 4.21 2.48 0.00 4.34 -0.02 -1.26 -2.34 135.00 142.40 2bet n PRO 61 Ca 0.03 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2bet n PRO 61 Cb 0.39 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2bet n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bet n GLY 62 N 2.60 2.19 3.89 -1.23 0.00 -1.26 -5.05 105.19 106.33 2bet n GLY 62 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2bet n GLY 62 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bet s SER 63 N -2.49 6.30 0.44 1.61 1.04 -0.99 -4.75 113.70 114.86 2bet s SER 63 Ca 0.00 1.15 0.01 0.00 0.48 0.00 0.00 55.95 57.59 2bet s SER 63 Cb 0.00 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.77 2bet s SER 63 CO 0.00 -0.65 0.03 0.18 0.98 0.00 0.00 173.24 173.77 2bet n LEU 64 N -2.27 0.00 -3.64 2.42 4.77 -0.92 -4.94 117.00 112.43 2bet n LEU 64 Ca 0.03 -2.85 -0.16 0.00 -0.03 0.00 0.00 56.01 53.01 2bet n LEU 64 Cb 0.55 0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 42.01 2bet n LEU 64 CO 0.54 -0.41 0.24 -0.83 -1.33 0.00 0.00 177.39 175.60 2bet s GLY 65 N -3.45 -0.38 -0.04 -0.72 0.00 0.53 -1.82 107.32 101.45 2bet s GLY 65 Ca 0.04 0.86 -0.00 0.00 0.00 0.00 0.00 44.72 45.62 2bet s GLY 65 CO 0.03 0.58 -0.01 -0.42 0.00 0.00 0.00 173.10 173.28 2bet s ILE 66 N -1.21 0.29 -0.11 0.90 1.01 -0.29 -2.03 121.20 119.74 2bet s ILE 66 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2bet s ILE 66 Cb -0.03 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 2bet s ILE 66 CO 0.07 0.20 -0.13 0.68 0.00 0.00 0.00 174.94 175.76 2bet s VAL 67 N 1.33 3.13 -0.03 2.92 -7.23 -0.69 -1.79 120.40 118.04 2bet s VAL 67 Ca -0.05 -0.65 0.05 0.00 -1.81 0.00 0.00 61.98 59.52 2bet s VAL 67 Cb -0.13 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 2bet s VAL 67 CO -0.02 0.54 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.37 2bet s LEU 68 N 0.11 2.56 0.00 1.32 2.01 -0.02 -1.79 118.68 122.87 2bet s LEU 68 Ca -0.06 -0.28 0.00 0.00 0.01 0.00 0.00 54.13 53.80 2bet s LEU 68 Cb -0.15 -1.50 0.00 0.00 0.01 0.00 0.00 46.19 44.55 2bet s LEU 68 CO 0.04 0.33 0.00 0.61 1.01 0.00 0.00 176.35 178.35 2bet n GLY 69 N 2.27 4.38 0.27 -3.19 0.00 -1.00 -3.53 105.19 104.40 2bet n GLY 69 Ca -0.17 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 2bet n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bet h GLY 70 N 0.00 -0.65 0.10 -0.02 0.00 -1.85 -0.28 103.07 100.37 2bet h GLY 70 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 2bet h GLY 70 CO 0.00 -0.24 -1.98 -1.14 0.00 0.00 0.00 176.54 173.19 2bet n SER 71 N -5.10 0.09 0.00 0.19 3.41 -1.26 -2.34 113.62 108.61 2bet n SER 71 Ca -0.08 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2bet n SER 71 Cb 0.24 1.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.85 2bet n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bet n GLY 72 N 1.34 1.37 0.14 5.00 0.00 -1.26 -2.99 105.19 108.79 2bet n GLY 72 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 2bet n GLY 72 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bet h ASN 73 N 0.00 0.66 -0.20 1.61 2.35 -1.94 -2.11 115.58 115.95 2bet h ASN 73 Ca 0.00 -0.88 0.01 0.00 -0.55 0.00 0.00 56.30 54.88 2bet h ASN 73 Cb 0.00 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 2bet h ASN 73 CO 0.00 1.48 0.13 1.23 -1.65 0.00 0.00 177.43 178.62 2bet h GLY 74 N -0.06 0.25 0.48 2.83 0.00 -2.00 -2.36 103.07 102.22 2bet h GLY 74 Ca -0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2bet h GLY 74 CO 0.19 0.09 -0.24 0.83 0.00 0.00 0.00 176.54 177.41 2bet h GLU 75 N 0.24 0.18 -0.29 4.80 3.07 -1.91 -2.56 114.58 118.11 2bet h GLU 75 Ca 0.08 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 2bet h GLU 75 Cb 0.01 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2bet h GLU 75 CO -0.02 0.90 -0.09 -0.56 -1.40 0.00 0.00 179.01 177.85 2bet h GLN 76 N -0.47 0.47 -0.55 2.33 -0.00 -1.35 -1.80 115.11 113.74 2bet h GLN 76 Ca -0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.65 58.49 2bet h GLN 76 Cb 0.98 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 28.38 2bet h GLN 76 CO 0.05 0.57 0.29 0.82 -0.00 0.00 0.00 178.83 180.56 2bet h ILE 77 N 0.45 1.19 -0.58 1.86 2.04 -1.43 -0.90 117.51 120.14 2bet h ILE 77 Ca 0.09 -0.51 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 2bet h ILE 77 Cb 0.43 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2bet h ILE 77 CO 0.02 0.21 -0.05 0.00 0.00 0.00 0.00 178.15 178.34 2bet h ALA 78 N 1.12 0.78 -0.09 1.87 0.00 -1.13 -2.87 119.26 118.95 2bet h ALA 78 Ca 0.19 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2bet h ALA 78 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bet h ALA 78 CO -0.03 0.66 -0.30 0.00 0.00 0.00 0.00 179.25 179.58 2bet h ALA 79 N 0.96 1.34 0.00 0.00 0.00 -1.14 -2.88 119.26 117.54 2bet h ALA 79 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2bet h ALA 79 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2bet h ALA 79 CO 0.04 0.46 0.00 -0.91 0.00 0.00 0.00 179.25 178.84 2bet h ASN 80 N 0.15 0.00 1.48 0.00 2.35 -0.95 -2.83 115.58 115.78 2bet h ASN 80 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2bet h ASN 80 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2bet h ASN 80 CO 0.04 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.93 2bet h LYS 81 N 0.00 0.00 -6.44 0.81 1.79 -1.39 -3.45 116.57 107.90 2bet h LYS 81 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2bet h LYS 81 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2bet h LYS 81 CO 0.00 0.00 0.72 0.08 -1.08 0.00 0.00 179.45 179.17 2bet s VAL 82 N -3.32 3.75 0.14 0.50 1.01 -1.07 -4.97 120.40 116.44 2bet s VAL 82 Ca 0.06 1.20 -0.34 0.00 0.00 0.00 0.00 61.98 62.90 2bet s VAL 82 Cb 0.08 -3.77 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 2bet s VAL 82 CO 0.59 0.05 1.60 -2.65 0.00 0.00 0.00 175.10 174.68 2bet n PRO 83 N 4.64 2.13 0.00 2.72 -0.02 -1.26 -2.26 135.00 140.95 2bet n PRO 83 Ca 0.11 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2bet n PRO 83 Cb 0.44 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2bet n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bet n GLY 84 N 3.47 3.13 3.79 -1.23 0.00 -1.26 -5.00 105.19 108.09 2bet n GLY 84 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2bet n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bet s ALA 85 N -1.91 3.06 -0.20 4.61 0.00 -0.96 -5.01 121.76 121.35 2bet s ALA 85 Ca 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 2bet s ALA 85 Cb 0.00 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.96 2bet s ALA 85 CO 0.00 -0.09 0.07 1.03 0.00 0.00 0.00 175.76 176.77 2bet s ARG 86 N -2.68 0.36 -0.28 0.00 0.52 -1.26 -4.82 118.95 110.79 2bet s ARG 86 Ca 0.59 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.48 2bet s ARG 86 Cb -0.18 -1.87 0.06 0.00 0.52 0.00 0.00 34.95 33.48 2bet s ARG 86 CO 0.23 -0.72 -0.06 0.00 0.02 0.00 0.00 175.30 174.77 2bet s ALA 88 N 1.10 3.19 -0.43 0.00 0.00 -1.06 -4.86 121.76 119.69 2bet s ALA 88 Ca -0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.63 2bet s ALA 88 Cb -0.20 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2bet s ALA 88 CO -0.05 -0.35 0.55 -1.17 0.00 0.00 0.00 175.76 174.75 2bet s LEU 89 N -4.47 4.68 -0.35 0.00 1.98 -1.26 -0.86 118.68 118.40 2bet s LEU 89 Ca 0.54 -0.51 -0.19 0.00 -2.89 0.00 0.00 54.13 51.08 2bet s LEU 89 Cb -0.10 -2.56 0.00 0.00 0.66 0.00 0.00 46.19 44.18 2bet s LEU 89 CO 0.40 -0.69 0.58 0.00 -1.89 0.00 0.00 176.35 174.75 2bet s ALA 90 N 2.50 3.46 -0.04 5.97 0.00 -0.64 -4.89 121.76 128.12 2bet s ALA 90 Ca 0.18 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2bet s ALA 90 Cb -0.16 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.87 2bet s ALA 90 CO 0.16 -1.30 0.96 -2.67 0.00 0.00 0.00 175.76 172.92 2bet n TRP 91 N 5.92 0.02 -3.81 0.00 4.27 -1.26 -4.56 117.44 118.02 2bet n TRP 91 Ca -0.03 -0.45 -0.05 0.00 -3.89 0.00 0.00 57.50 53.08 2bet n TRP 91 Cb 0.49 -0.04 -0.01 0.00 -1.36 0.00 0.00 31.31 30.38 2bet n TRP 91 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2bet s SER 92 N -0.90 -0.20 0.31 -0.67 1.04 -1.26 -5.02 113.70 106.99 2bet s SER 92 Ca 0.01 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.93 2bet s SER 92 Cb 0.01 0.61 0.51 0.00 0.10 0.00 0.00 66.02 67.25 2bet s SER 92 CO 0.01 -1.14 1.82 0.58 0.98 0.00 0.00 173.24 175.49 2bet h VAL 93 N 2.00 1.22 -0.28 5.02 2.07 -1.92 -2.36 116.25 122.00 2bet h VAL 93 Ca -0.22 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 2bet h VAL 93 Cb 1.24 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2bet h VAL 93 CO 0.25 0.31 -0.13 -0.61 0.02 0.00 0.00 177.57 177.41 2bet h GLN 94 N 0.55 0.59 0.00 1.57 4.15 -1.97 -2.55 115.11 117.46 2bet h GLN 94 Ca 0.11 -0.25 -0.09 0.00 0.77 0.00 0.00 58.65 59.19 2bet h GLN 94 Cb 0.40 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2bet h GLN 94 CO 0.02 0.82 -0.42 1.79 -1.93 0.00 0.00 178.83 179.11 2bet h THR 95 N 0.33 0.79 -0.29 2.39 1.35 -1.94 -0.86 112.91 114.69 2bet h THR 95 Ca 0.06 -1.88 -0.18 0.00 -0.55 0.00 0.00 66.41 63.86 2bet h THR 95 Cb 0.64 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2bet h THR 95 CO 0.04 0.41 -0.52 0.00 -0.25 0.00 0.00 175.52 175.20 2bet h ALA 96 N 1.58 0.46 -0.17 6.62 0.00 -1.45 -2.15 119.26 124.15 2bet h ALA 96 Ca -0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 2bet h ALA 96 Cb 1.18 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2bet h ALA 96 CO 0.05 0.66 -0.70 0.00 0.00 0.00 0.00 179.25 179.26 2bet h ALA 97 N 0.68 0.32 -0.08 0.00 0.00 -1.37 -3.18 119.26 115.63 2bet h ALA 97 Ca 0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 2bet h ALA 97 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2bet h ALA 97 CO 0.12 0.64 -0.36 -0.07 0.00 0.00 0.00 179.25 179.58 2bet h LEU 98 N 0.51 0.17 -0.72 0.00 3.38 -1.22 -1.14 115.31 116.28 2bet h LEU 98 Ca -0.04 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2bet h LEU 98 Cb 1.33 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 2bet h LEU 98 CO 0.15 0.52 0.45 0.00 0.09 0.00 0.00 178.44 179.65 2bet h ALA 99 N 1.49 0.95 0.05 1.53 0.00 -1.37 -0.20 119.26 121.72 2bet h ALA 99 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bet h ALA 99 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2bet h ALA 99 CO 0.05 0.23 -0.03 0.00 0.00 0.00 0.00 179.25 179.51 2bet h ARG 100 N 0.88 -0.07 -0.44 0.00 2.47 -1.50 -1.51 114.38 114.21 2bet h ARG 100 Ca 0.29 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.00 2bet h ARG 100 Cb 0.04 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 2bet h ARG 100 CO -0.12 0.51 0.21 1.49 0.56 0.00 0.00 179.97 182.63 2bet h GLU 101 N -0.73 0.64 0.00 0.04 4.81 -1.11 -2.69 114.58 115.54 2bet h GLU 101 Ca -0.01 -0.10 -0.42 0.00 -0.13 0.00 0.00 59.36 58.70 2bet h GLU 101 Cb 0.61 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2bet h GLU 101 CO 0.01 0.55 -2.31 0.72 -0.73 0.00 0.00 179.01 177.26 2bet n HIS 102 N -4.65 0.20 1.13 0.92 8.25 -0.10 -3.13 115.22 117.84 2bet n HIS 102 Ca 0.01 0.09 0.12 0.00 -0.26 0.00 0.00 57.72 57.68 2bet n HIS 102 Cb 0.11 -1.02 0.23 0.00 1.12 0.00 0.00 29.99 30.44 2bet n HIS 102 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2bet n ASN 103 N -4.28 1.17 -4.06 0.41 5.03 -0.98 -4.78 115.26 107.76 2bet n ASN 103 Ca -0.51 -0.94 -0.32 0.00 0.87 0.00 0.00 54.58 53.69 2bet n ASN 103 Cb 0.85 0.30 -0.01 0.00 -1.02 0.00 0.00 39.78 39.90 2bet n ASN 103 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2bet n ASN 104 N -0.71 -3.23 -4.69 6.41 5.15 -0.64 -4.87 115.26 112.68 2bet n ASN 104 Ca 0.10 -0.93 -0.42 0.00 -0.60 0.00 0.00 54.58 52.73 2bet n ASN 104 Cb 0.37 -3.23 -0.03 0.00 -0.53 0.00 0.00 39.78 36.36 2bet n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bet s ALA 105 N -3.42 3.55 -0.31 5.20 0.00 -0.75 -4.90 121.76 121.14 2bet s ALA 105 Ca 0.57 0.79 0.24 0.00 0.00 0.00 0.00 51.96 53.56 2bet s ALA 105 Cb -0.30 -3.57 0.50 0.00 0.00 0.00 0.00 23.12 19.75 2bet s ALA 105 CO 0.88 -0.87 1.66 1.96 0.00 0.00 0.00 175.76 179.40 2bet h GLN 106 N 7.72 0.00 -4.82 0.00 7.50 -1.84 -3.43 115.11 120.23 2bet h GLN 106 Ca -0.37 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 58.51 2bet h GLN 106 Cb 1.17 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 28.54 2bet h GLN 106 CO 0.90 0.05 -0.71 -0.51 -1.50 0.00 0.00 178.83 177.06 2bet s LEU 107 N -6.25 2.47 0.02 1.46 1.02 -1.16 -0.34 118.68 115.89 2bet s LEU 107 Ca 0.06 -0.92 0.02 0.00 0.02 0.00 0.00 54.13 53.30 2bet s LEU 107 Cb 0.06 -0.20 -0.01 0.00 0.02 0.00 0.00 46.19 46.05 2bet s LEU 107 CO 0.66 -0.36 -0.06 0.27 0.02 0.00 0.00 176.35 176.88 2bet s ILE 108 N -3.08 0.40 0.03 -0.59 -4.36 -0.86 -2.57 121.20 110.17 2bet s ILE 108 Ca 0.10 -0.67 -0.10 0.00 -0.26 0.00 0.00 60.65 59.72 2bet s ILE 108 Cb 0.01 -0.43 -0.05 0.00 1.25 0.00 0.00 42.46 43.24 2bet s ILE 108 CO -0.02 -0.19 0.35 -0.83 0.24 0.00 0.00 174.94 174.49 2bet s GLY 109 N -0.92 2.33 -0.03 6.27 0.00 -0.04 -1.70 107.32 113.22 2bet s GLY 109 Ca -0.06 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.26 2bet s GLY 109 CO 0.00 -0.18 -0.05 -0.42 0.00 0.00 0.00 173.10 172.45 2bet s ILE 110 N -1.29 0.51 -0.44 0.90 1.01 -0.74 -1.63 121.20 119.53 2bet s ILE 110 Ca 0.29 -0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.54 2bet s ILE 110 Cb -0.14 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.84 2bet s ILE 110 CO 0.16 0.20 0.83 -0.83 0.00 0.00 0.00 174.94 175.29 2bet s GLY 111 N 0.59 1.57 0.48 6.18 0.00 -1.16 -2.36 107.32 112.61 2bet s GLY 111 Ca -0.08 -0.89 0.15 0.00 0.00 0.00 0.00 44.72 43.90 2bet s GLY 111 CO 0.00 1.86 2.07 -1.33 0.00 0.00 0.00 173.10 175.70 2bet h GLY 112 N 10.22 0.03 1.94 0.20 0.00 -0.92 -2.41 103.07 112.13 2bet h GLY 112 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2bet h GLY 112 CO 0.97 0.01 0.00 0.54 0.00 0.00 0.00 176.54 178.07 2bet n ARG 113 N -4.44 0.06 0.01 4.80 1.74 -0.99 -3.96 116.66 113.89 2bet n ARG 113 Ca -0.02 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.13 2bet n ARG 113 Cb 0.16 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.99 2bet n ARG 113 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2bet n MET 114 N -1.47 0.64 -4.43 5.56 2.81 -0.91 -4.98 117.12 114.35 2bet n MET 114 Ca 0.08 -0.03 -0.21 0.00 -1.81 0.00 0.00 57.70 55.73 2bet n MET 114 Cb 0.32 -1.64 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 2bet n MET 114 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2bet s HIS 115 N -3.26 1.92 0.98 2.03 3.76 -1.23 -5.10 115.29 114.39 2bet s HIS 115 Ca -0.06 -0.79 -0.15 0.00 -0.15 0.00 0.00 55.06 53.91 2bet s HIS 115 Cb 0.11 -1.14 0.19 0.00 1.11 0.00 0.00 32.58 32.85 2bet s HIS 115 CO 0.86 0.18 1.23 0.95 -0.85 0.00 0.00 174.74 177.11 2bet s THR 116 N -3.12 1.92 0.09 1.30 -4.23 -1.26 -4.92 115.64 105.41 2bet s THR 116 Ca 0.31 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.64 2bet s THR 116 Cb 0.05 -2.86 -0.08 0.00 1.34 0.00 0.00 72.50 70.96 2bet s THR 116 CO 0.12 0.00 1.49 0.58 -0.54 0.00 0.00 174.62 176.27 2bet h VAL 117 N -1.73 1.28 -0.78 2.29 2.07 -2.00 -2.67 116.25 114.71 2bet h VAL 117 Ca -0.46 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 2bet h VAL 117 Cb 1.28 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2bet h VAL 117 CO 0.45 0.33 0.44 0.00 0.02 0.00 0.00 177.57 178.81 2bet h ALA 118 N 0.78 1.29 -0.44 1.67 0.00 -1.99 -1.78 119.26 118.79 2bet h ALA 118 Ca 0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2bet h ALA 118 Cb 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2bet h ALA 118 CO 0.02 0.58 -0.30 0.93 0.00 0.00 0.00 179.25 180.49 2bet h GLU 119 N 1.09 0.98 -0.43 0.00 5.08 -1.94 -2.79 114.58 116.58 2bet h GLU 119 Ca 0.28 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 58.07 2bet h GLU 119 Cb 0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2bet h GLU 119 CO -0.05 1.13 -0.15 0.00 -1.00 0.00 0.00 179.01 178.94 2bet h ALA 120 N 0.83 0.93 0.00 3.43 0.00 -1.10 -2.48 119.26 120.86 2bet h ALA 120 Ca 0.09 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2bet h ALA 120 Cb 0.89 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2bet h ALA 120 CO 0.08 0.62 -0.46 -0.07 0.00 0.00 0.00 179.25 179.42 2bet h LEU 121 N 0.71 0.00 -0.64 0.00 3.38 -1.32 -2.05 115.31 115.39 2bet h LEU 121 Ca 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2bet h LEU 121 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2bet h LEU 121 CO 0.05 0.46 -0.67 0.00 0.09 0.00 0.00 178.44 178.36 2bet h ALA 122 N 1.54 0.87 -0.46 1.53 0.00 -1.31 -1.70 119.26 119.74 2bet h ALA 122 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 2bet h ALA 122 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2bet h ALA 122 CO 0.06 0.83 -0.19 0.82 0.00 0.00 0.00 179.25 180.77 2bet h ILE 123 N 0.02 1.27 -0.58 0.00 2.04 -1.12 -2.59 117.51 116.55 2bet h ILE 123 Ca -0.01 -1.35 -0.09 0.00 1.00 0.00 0.00 64.86 64.41 2bet h ILE 123 Cb 1.19 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2bet h ILE 123 CO 0.09 0.46 -0.00 0.58 0.00 0.00 0.00 178.15 179.28 2bet h VAL 124 N 0.78 1.26 -0.47 1.67 2.07 -1.28 -2.45 116.25 117.84 2bet h VAL 124 Ca 0.11 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 2bet h VAL 124 Cb 0.76 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2bet h VAL 124 CO 0.06 0.41 0.15 0.44 0.02 0.00 0.00 177.57 178.66 2bet h ASP 125 N 0.93 0.68 -0.26 0.57 3.32 -1.25 -2.01 116.42 118.41 2bet h ASP 125 Ca 0.17 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2bet h ASP 125 Cb 0.54 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2bet h ASP 125 CO 0.03 0.70 0.00 0.00 -1.72 0.00 0.00 179.24 178.25 2bet h ALA 126 N 1.01 1.33 -0.20 3.45 0.00 -1.42 -2.71 119.26 120.72 2bet h ALA 126 Ca 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2bet h ALA 126 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2bet h ALA 126 CO -0.01 0.46 -0.10 0.35 0.00 0.00 0.00 179.25 179.95 2bet h PHE 127 N 0.54 0.49 -0.00 0.00 3.57 -0.99 -2.29 116.94 118.26 2bet h PHE 127 Ca 0.12 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2bet h PHE 127 Cb 0.34 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2bet h PHE 127 CO 0.01 0.72 -0.20 1.33 -2.23 0.00 0.00 178.31 177.95 2bet n VAL 128 N -4.56 0.00 0.25 1.41 0.24 -0.80 -3.95 118.33 110.93 2bet n VAL 128 Ca -0.05 -0.01 0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2bet n VAL 128 Cb 0.33 -0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.49 2bet n VAL 128 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2bet n THR 129 N -1.42 0.00 -2.94 3.34 -2.24 -1.02 -4.98 114.28 105.02 2bet n THR 129 Ca 0.08 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 2bet n THR 129 Cb 0.33 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.41 2bet n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bet s THR 130 N -1.73 4.92 0.51 4.28 2.01 -0.86 -5.04 115.64 119.72 2bet s THR 130 Ca 0.02 1.53 -0.18 0.00 0.31 0.00 0.00 61.69 63.37 2bet s THR 130 Cb 0.05 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.39 2bet s THR 130 CO 0.26 0.06 1.00 -2.16 -0.69 0.00 0.00 174.62 173.09 2bet s PRO 131 N 2.03 3.85 -0.07 4.92 0.04 -1.26 -4.78 135.00 139.73 2bet s PRO 131 Ca 0.36 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 2bet s PRO 131 Cb -0.16 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2bet s PRO 131 CO 0.12 -0.36 1.23 -0.46 0.04 0.00 0.00 177.00 177.57 2bet s TRP 132 N -2.38 3.09 0.37 0.56 -0.00 -1.26 -3.80 118.94 115.51 2bet s TRP 132 Ca 0.62 1.14 0.15 0.00 -0.00 0.00 0.00 56.10 58.01 2bet s TRP 132 Cb -0.12 -3.46 0.82 0.00 -0.00 0.00 0.00 33.47 30.71 2bet s TRP 132 CO 0.27 -1.48 1.86 0.66 -0.00 0.00 0.00 176.95 178.25 2bet h SER 133 N 7.64 0.00 -0.75 5.86 4.64 -1.73 -3.47 113.55 125.75 2bet h SER 133 Ca -0.33 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.67 2bet h SER 133 Cb 1.15 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.11 2bet h SER 133 CO 0.90 0.33 -0.29 0.29 -0.87 0.00 0.00 176.83 177.19 2bet n LYS 134 N -4.02 -1.24 -1.78 4.77 5.02 -1.26 -4.98 118.16 114.66 2bet n LYS 134 Ca -0.02 1.05 -0.34 0.00 -2.02 0.00 0.00 58.31 56.98 2bet n LYS 134 Cb 0.38 -5.28 0.05 0.00 -0.02 0.00 0.00 35.03 30.17 2bet n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bet s ALA 135 N -2.51 2.42 0.09 7.82 0.00 -1.26 -4.86 121.76 123.45 2bet s ALA 135 Ca 0.00 0.73 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 2bet s ALA 135 Cb 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 2bet s ALA 135 CO 0.00 -1.34 1.70 0.37 0.00 0.00 0.00 175.76 176.48 2bet h GLN 136 N 0.22 0.07 -0.24 0.00 4.15 -1.99 -2.08 115.11 115.23 2bet h GLN 136 Ca -0.48 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 58.83 2bet h GLN 136 Cb 1.27 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 2bet h GLN 136 CO 0.53 0.10 -0.29 0.07 -1.93 0.00 0.00 178.83 177.31 2bet h ARG 137 N 0.02 0.49 -0.41 1.69 0.11 -1.99 -0.96 114.38 113.32 2bet h ARG 137 Ca 0.02 -0.20 -0.08 0.00 0.10 0.00 0.00 59.98 59.82 2bet h ARG 137 Cb 0.05 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 2bet h ARG 137 CO -0.00 0.73 -0.06 0.45 0.10 0.00 0.00 179.97 181.19 2bet h HIS 138 N 0.42 0.85 -0.14 4.08 3.86 -1.83 -2.66 115.15 119.74 2bet h HIS 138 Ca 0.06 -0.17 -0.11 0.00 -1.16 0.00 0.00 60.37 58.99 2bet h HIS 138 Cb 0.73 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2bet h HIS 138 CO 0.02 0.87 -0.39 0.37 0.86 0.00 0.00 177.93 179.66 2bet h GLN 139 N 0.58 0.30 -0.64 2.45 5.75 -1.14 -2.60 115.11 119.80 2bet h GLN 139 Ca 0.11 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 2bet h GLN 139 Cb 0.57 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 2bet h GLN 139 CO 0.03 0.65 0.09 -0.09 -2.65 0.00 0.00 178.83 176.86 2bet h ARG 140 N 0.25 1.07 -0.06 1.69 2.43 -1.06 -1.59 114.38 117.11 2bet h ARG 140 Ca 0.03 -0.29 -0.20 0.00 -0.81 0.00 0.00 59.98 58.71 2bet h ARG 140 Cb 0.80 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2bet h ARG 140 CO 0.06 0.99 -0.78 0.00 -1.51 0.00 0.00 179.97 178.73 2bet h ARG 141 N 1.00 0.42 -0.46 0.20 3.08 -1.36 -1.73 114.38 115.53 2bet h ARG 141 Ca 0.20 -0.37 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 2bet h ARG 141 Cb 0.45 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2bet h ARG 141 CO 0.01 1.01 0.02 0.82 -1.07 0.00 0.00 179.97 180.76 2bet h ILE 142 N 0.27 1.23 -0.06 2.04 2.04 -1.38 -2.58 117.51 119.08 2bet h ILE 142 Ca -0.04 -0.94 -0.17 0.00 1.00 0.00 0.00 64.86 64.71 2bet h ILE 142 Cb 1.38 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 2bet h ILE 142 CO 0.14 0.33 -0.70 0.44 0.00 0.00 0.00 178.15 178.36 2bet h ASP 143 N 0.70 0.36 -0.48 1.72 5.19 -1.12 -1.73 116.42 121.06 2bet h ASP 143 Ca 0.14 -0.23 -0.07 0.00 -0.62 0.00 0.00 57.03 56.25 2bet h ASP 143 Cb 0.41 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 2bet h ASP 143 CO 0.01 0.94 0.03 0.40 -3.12 0.00 0.00 179.24 177.51 2bet h ILE 144 N 0.21 1.26 -0.17 0.35 2.04 -1.20 -2.24 117.51 117.76 2bet h ILE 144 Ca -0.02 -1.01 -0.14 0.00 1.00 0.00 0.00 64.86 64.69 2bet h ILE 144 Cb 1.25 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2bet h ILE 144 CO 0.11 0.35 -0.48 0.25 0.00 0.00 0.00 178.15 178.38 2bet h LEU 145 N 0.68 0.48 -0.78 1.44 5.85 -1.39 -2.56 115.31 119.03 2bet h LEU 145 Ca 0.14 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.49 2bet h LEU 145 Cb 0.46 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2bet h LEU 145 CO 0.02 0.89 -0.58 0.00 -0.34 0.00 0.00 178.44 178.43 2bet h ALA 146 N 1.13 0.98 -0.07 1.25 0.00 -1.24 -1.65 119.26 119.65 2bet h ALA 146 Ca 0.02 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 2bet h ALA 146 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2bet h ALA 146 CO 0.09 0.72 -0.56 1.49 0.00 0.00 0.00 179.25 180.98 2bet h GLU 147 N 0.07 0.23 -0.13 0.00 4.57 -1.28 -2.59 114.58 115.44 2bet h GLU 147 Ca -0.00 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 57.90 2bet h GLU 147 Cb 1.04 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2bet h GLU 147 CO 0.08 0.73 -0.48 -0.92 -1.18 0.00 0.00 179.01 177.24 2bet h TYR 148 N 0.17 0.41 -0.14 0.92 5.03 -1.14 -2.59 116.97 119.62 2bet h TYR 148 Ca -0.00 -0.13 -0.06 0.00 2.58 0.00 0.00 58.73 61.12 2bet h TYR 148 Cb 1.04 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 2bet h TYR 148 CO 0.02 0.75 -0.19 0.93 -1.32 0.00 0.00 178.16 178.35 2bet h GLU 149 N 0.27 0.23 0.12 1.82 5.08 -1.08 0.27 114.58 121.30 2bet h GLU 149 Ca 0.01 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 2bet h GLU 149 Cb 0.94 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.19 2bet h GLU 149 CO 0.08 0.43 -0.76 -0.09 -1.00 0.00 0.00 179.01 177.67 2bet h ARG 150 N 0.22 0.30 0.00 2.33 2.43 -1.33 -3.39 114.38 114.94 2bet h ARG 150 Ca 0.04 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2bet h ARG 150 Cb 0.47 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2bet h ARG 150 CO 0.03 1.22 -0.97 0.25 -1.51 0.00 0.00 179.97 178.99 2bet n THR 151 N -4.16 0.00 -2.72 0.20 -2.24 -0.99 -5.00 114.28 99.38 2bet n THR 151 Ca -0.13 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.25 2bet n THR 151 Cb 0.79 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.69 2bet n THR 151 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2bet n HIS 152 N -1.55 -1.58 -3.37 4.78 8.25 0.08 -4.95 115.22 116.88 2bet n HIS 152 Ca 0.00 0.15 -0.43 0.00 -0.26 0.00 0.00 57.72 57.17 2bet n HIS 152 Cb 0.23 -2.71 -0.09 0.00 1.12 0.00 0.00 29.99 28.55 2bet n HIS 152 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2bet s GLU 153 N -5.32 3.03 0.06 -0.41 2.02 -1.26 -5.04 118.70 111.78 2bet s GLU 153 Ca 0.12 -0.98 -0.31 0.00 0.02 0.00 0.00 54.97 53.82 2bet s GLU 153 Cb -0.06 -4.01 -0.10 0.00 0.10 0.00 0.00 34.13 30.06 2bet s GLU 153 CO 0.15 -0.87 1.93 0.00 0.02 0.00 0.00 175.26 176.48 2bet n ALA 154 N 5.40 1.78 -1.77 5.21 0.00 -1.26 -4.73 120.51 125.15 2bet n ALA 154 Ca -0.10 0.25 -0.38 0.00 0.00 0.00 0.00 53.44 53.21 2bet n ALA 154 Cb 0.46 -2.65 -0.01 0.00 0.00 0.00 0.00 19.45 17.26 2bet n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bet s PRO 155 N 3.86 3.83 0.31 0.00 0.04 -1.26 -4.95 135.00 136.82 2bet s PRO 155 Ca 0.87 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 2bet s PRO 155 Cb -0.46 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.43 2bet s PRO 155 CO 0.41 -0.54 1.28 -1.25 0.04 0.00 0.00 177.00 176.94 2bet s PRO 156 N -2.49 4.40 0.15 0.56 0.04 -1.26 -4.99 135.00 131.41 2bet s PRO 156 Ca 0.61 2.14 -0.30 0.00 0.04 0.00 0.00 61.00 63.49 2bet s PRO 156 Cb -0.33 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 31.03 2bet s PRO 156 CO 0.41 -0.15 1.22 0.08 0.04 0.00 0.00 177.00 178.60 2bet s VAL 157 N -0.96 3.63 -0.34 -0.36 1.01 -1.26 -4.94 120.40 117.18 2bet s VAL 157 Ca 0.50 1.30 -0.39 0.00 0.00 0.00 0.00 61.98 63.39 2bet s VAL 157 Cb -0.38 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.02 2bet s VAL 157 CO 0.49 0.18 1.98 -2.65 0.00 0.00 0.00 175.10 175.09 2bet n PRO 158 N 2.93 0.96 -0.90 2.72 -0.02 -1.26 -5.33 135.00 134.10 2bet n PRO 158 Ca 0.06 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2bet n PRO 158 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2bet n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89