#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 3.71 -0.27 1.61 -1.94 -1.26 -4.94 119.30 116.20 2bet s MET 4 Ca 0.00 -0.44 -0.29 0.00 -1.71 0.00 0.00 55.69 53.24 2bet s MET 4 Cb 0.00 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.84 2bet s MET 4 CO 0.00 0.31 1.11 0.50 -0.01 0.00 0.00 175.02 176.92 2bet s ARG 5 N 0.22 4.13 -0.23 2.03 3.52 -1.26 -2.27 118.95 125.09 2bet s ARG 5 Ca 0.00 1.24 0.02 0.00 -0.13 0.00 0.00 55.73 56.87 2bet s ARG 5 Cb -0.13 -3.72 0.05 0.00 -1.56 0.00 0.00 34.95 29.58 2bet s ARG 5 CO 0.02 -0.82 -0.12 0.08 -0.81 0.00 0.00 175.30 173.65 2bet s VAL 6 N 3.56 1.97 0.13 7.11 1.01 -0.89 -1.47 120.40 131.82 2bet s VAL 6 Ca 0.47 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2bet s VAL 6 Cb -0.14 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 2bet s VAL 6 CO 0.13 0.11 0.98 -0.31 0.00 0.00 0.00 175.10 176.01 2bet s TYR 7 N 1.23 3.79 -0.09 5.22 1.51 -0.81 -1.58 117.35 126.63 2bet s TYR 7 Ca -0.04 1.78 0.02 0.00 -1.01 0.00 0.00 57.07 57.82 2bet s TYR 7 Cb -0.18 -3.08 0.01 0.00 -0.11 0.00 0.00 41.96 38.60 2bet s TYR 7 CO -0.07 0.11 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.81 2bet s LEU 8 N -0.10 1.78 0.14 -1.29 1.02 -0.47 -1.41 118.68 118.35 2bet s LEU 8 Ca 0.47 -0.41 0.09 0.00 0.02 0.00 0.00 54.13 54.30 2bet s LEU 8 Cb -0.24 -1.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.86 2bet s LEU 8 CO 0.31 0.05 -0.21 -0.83 0.02 0.00 0.00 176.35 175.69 2bet s GLY 9 N 0.73 1.41 -0.22 -3.19 0.00 -0.69 -1.22 107.32 104.14 2bet s GLY 9 Ca -0.12 -1.43 -0.28 0.00 0.00 0.00 0.00 44.72 42.89 2bet s GLY 9 CO 0.03 -1.45 1.07 0.00 0.00 0.00 0.00 173.10 172.75 2bet s ALA 10 N -1.58 -1.98 0.52 3.20 0.00 -0.81 -1.11 121.76 119.99 2bet s ALA 10 Ca 0.13 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2bet s ALA 10 Cb -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2bet s ALA 10 CO 0.06 -0.26 0.00 -0.40 0.00 0.00 0.00 175.76 175.16 2bet n ASP 11 N 1.29 0.00 -0.30 0.00 5.75 -1.19 -1.53 116.55 120.57 2bet n ASP 11 Ca -0.10 -0.83 0.06 0.00 -0.01 0.00 0.00 54.79 53.91 2bet n ASP 11 Cb 0.57 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.94 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 -0.43 1.00 -0.07 2.11 2.07 -1.85 -1.68 115.15 116.30 2bet h HIS 12 Ca 0.00 0.03 -0.10 0.00 -2.85 0.00 0.00 60.37 57.44 2bet h HIS 12 Cb 0.00 -0.32 -0.01 0.00 2.57 0.00 0.00 27.41 29.64 2bet h HIS 12 CO 0.00 0.47 -0.43 0.00 -3.07 0.00 0.00 177.93 174.91 2bet h ALA 13 N 1.54 1.16 -0.44 6.11 0.00 -1.90 -2.94 119.26 122.79 2bet h ALA 13 Ca 0.41 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bet h ALA 13 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2bet h ALA 13 CO -0.17 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2bet n GLY 14 N -0.20 3.01 0.07 0.00 0.00 -1.08 -4.55 105.19 102.43 2bet n GLY 14 Ca -0.02 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 2.67 -0.05 -0.62 1.61 3.20 -1.12 -1.64 116.97 121.03 2bet h TYR 15 Ca 0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2bet h TYR 15 Cb 1.07 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2bet h TYR 15 CO 0.43 0.33 0.32 0.93 -1.64 0.00 0.00 178.16 178.53 2bet h GLU 16 N -0.43 0.89 -0.19 1.82 4.39 -1.85 -2.25 114.58 116.96 2bet h GLU 16 Ca -0.01 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 2bet h GLU 16 Cb 0.39 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2bet h GLU 16 CO 0.01 0.70 -0.16 1.25 -1.16 0.00 0.00 179.01 179.65 2bet h LEU 17 N 0.85 0.30 -0.67 1.33 5.85 -1.88 -2.77 115.31 118.33 2bet h LEU 17 Ca 0.22 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 2bet h LEU 17 Cb 0.09 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2bet h LEU 17 CO -0.03 0.49 0.10 0.50 -0.34 0.00 0.00 178.44 179.16 2bet h LYS 18 N 0.29 1.11 -0.17 1.25 3.64 -0.73 -1.64 116.57 120.32 2bet h LYS 18 Ca 0.06 -0.30 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 2bet h LYS 18 Cb 0.46 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2bet h LYS 18 CO 0.03 1.02 -0.35 1.96 -2.27 0.00 0.00 179.45 179.84 2bet h GLN 19 N 1.03 0.36 -0.05 1.90 1.08 -1.21 -0.93 115.11 117.29 2bet h GLN 19 Ca 0.20 -0.16 -0.15 0.00 -1.45 0.00 0.00 58.65 57.10 2bet h GLN 19 Cb 0.45 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2bet h GLN 19 CO 0.01 0.67 -0.63 0.00 -0.95 0.00 0.00 178.83 177.93 2bet h ARG 20 N 0.31 0.20 -0.00 1.46 2.47 -1.30 -2.73 114.38 114.79 2bet h ARG 20 Ca 0.04 -0.15 -0.16 0.00 -1.26 0.00 0.00 59.98 58.45 2bet h ARG 20 Cb 0.76 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.09 2bet h ARG 20 CO 0.06 0.77 -0.76 0.82 0.56 0.00 0.00 179.97 181.41 2bet h ILE 21 N 0.15 1.52 -0.53 2.04 2.04 -0.94 -2.01 117.51 119.78 2bet h ILE 21 Ca -0.01 -2.53 -0.10 0.00 1.00 0.00 0.00 64.86 63.22 2bet h ILE 21 Cb 1.14 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 39.57 2bet h ILE 21 CO 0.10 0.73 -0.07 0.40 0.00 0.00 0.00 178.15 179.30 2bet h ILE 22 N 0.03 1.27 -0.10 -0.67 2.04 -1.07 -1.38 117.51 117.63 2bet h ILE 22 Ca -0.01 -1.21 -0.17 0.00 1.00 0.00 0.00 64.86 64.47 2bet h ILE 22 Cb 1.34 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2bet h ILE 22 CO 0.10 0.43 -0.65 -0.08 0.00 0.00 0.00 178.15 177.95 2bet h GLU 23 N 0.85 0.40 -0.36 2.37 4.57 -1.46 -2.70 114.58 118.25 2bet h GLU 23 Ca 0.14 -0.29 -0.16 0.00 -1.18 0.00 0.00 59.36 57.87 2bet h GLU 23 Cb 0.63 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2bet h GLU 23 CO 0.04 0.91 -0.42 1.25 -1.18 0.00 0.00 179.01 179.62 2bet h HIS 24 N 0.28 1.11 -0.47 0.92 2.76 -1.25 -2.71 115.15 115.79 2bet h HIS 24 Ca -0.01 -0.35 -0.11 0.00 -2.20 0.00 0.00 60.37 57.69 2bet h HIS 24 Cb 1.20 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 2bet h HIS 24 CO 0.04 1.18 -0.14 -0.07 -1.30 0.00 0.00 177.93 177.63 2bet h LEU 25 N 0.72 0.94 -0.62 0.26 3.38 -1.28 -2.54 115.31 116.18 2bet h LEU 25 Ca 0.05 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.68 2bet h LEU 25 Cb 1.02 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2bet h LEU 25 CO 0.10 1.10 0.37 0.11 0.09 0.00 0.00 178.44 180.21 2bet h LYS 26 N 0.77 0.69 0.00 1.13 1.57 -1.45 -0.99 116.57 118.29 2bet h LYS 26 Ca 0.12 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2bet h LYS 26 Cb 0.70 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2bet h LYS 26 CO 0.05 0.46 -0.00 1.96 -0.57 0.00 0.00 179.45 181.34 2bet h GLN 27 N 0.71 0.00 -0.47 3.15 4.20 -1.36 -3.08 115.11 118.26 2bet h GLN 27 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2bet h GLN 27 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2bet h GLN 27 CO -0.12 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.29 2bet n THR 28 N -3.10 2.44 -1.70 -0.54 -2.24 -0.97 -4.96 114.28 103.21 2bet n THR 28 Ca 0.02 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.26 2bet n THR 28 Cb 0.39 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.29 0.59 3.75 3.38 0.00 -1.12 -4.98 105.19 107.11 2bet n GLY 29 Ca 0.25 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.00 2.29 -0.59 1.61 3.76 -0.41 -4.23 115.29 115.73 2bet s HIS 30 Ca 0.00 -0.72 0.04 0.00 -0.15 0.00 0.00 55.06 54.24 2bet s HIS 30 Cb 0.00 -1.85 0.15 0.00 1.11 0.00 0.00 32.58 31.99 2bet s HIS 30 CO 0.00 0.14 0.39 -2.00 -0.85 0.00 0.00 174.74 172.42 2bet s GLU 31 N -3.92 2.03 0.35 1.40 2.12 -0.96 -4.28 118.70 115.43 2bet s GLU 31 Ca 0.32 -2.86 -0.27 0.00 0.36 0.00 0.00 54.97 52.52 2bet s GLU 31 Cb 0.04 -3.05 -0.09 0.00 0.26 0.00 0.00 34.13 31.29 2bet s GLU 31 CO 0.17 -1.24 1.13 -1.25 -0.54 0.00 0.00 175.26 173.54 2bet s PRO 32 N -0.77 4.30 -0.10 4.30 0.04 -1.26 -2.10 135.00 139.41 2bet s PRO 32 Ca 0.23 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 2bet s PRO 32 Cb -0.12 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.60 2bet s PRO 32 CO -0.11 -0.09 -0.06 0.42 0.04 0.00 0.00 177.00 177.21 2bet s ILE 33 N -1.36 0.83 -0.42 0.56 1.01 -0.61 -4.93 121.20 116.28 2bet s ILE 33 Ca 0.52 -0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.76 2bet s ILE 33 Cb -0.30 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.31 2bet s ILE 33 CO 0.38 0.33 0.82 -0.62 0.00 0.00 0.00 174.94 175.85 2bet s ASP 34 N 1.71 6.49 0.00 3.58 3.68 -1.26 -1.37 116.67 129.50 2bet s ASP 34 Ca 0.04 0.13 0.29 0.00 2.13 0.00 0.00 52.55 55.14 2bet s ASP 34 Cb -0.13 -2.41 1.35 0.00 -1.45 0.00 0.00 42.92 40.29 2bet s ASP 34 CO -0.07 -0.88 1.92 0.00 0.13 0.00 0.00 175.17 176.28 2bet n GLY 36 N 1.16 2.31 3.77 0.00 0.00 -1.26 -4.88 105.19 106.29 2bet n GLY 36 Ca 0.19 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.83 3.25 -1.42 4.61 0.00 -0.58 -1.93 121.76 122.86 2bet s ALA 37 Ca 0.00 0.67 0.28 0.00 0.00 0.00 0.00 51.96 52.91 2bet s ALA 37 Cb 0.00 -3.24 1.06 0.00 0.00 0.00 0.00 23.12 20.94 2bet s ALA 37 CO 0.00 0.02 1.77 1.28 0.00 0.00 0.00 175.76 178.83 2bet n LEU 38 N 0.75 0.43 -3.93 0.00 4.77 -1.26 -4.88 117.00 112.88 2bet n LEU 38 Ca 0.01 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 2bet n LEU 38 Cb 0.48 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2bet n LEU 38 CO 0.48 0.09 0.32 0.00 -1.33 0.00 0.00 177.39 176.94 2bet s ARG 39 N -2.67 1.71 -0.30 3.23 1.70 -1.26 -5.13 118.95 116.23 2bet s ARG 39 Ca 0.23 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 54.01 2bet s ARG 39 Cb 0.19 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 35.11 2bet s ARG 39 CO 0.53 -0.75 1.32 -0.47 -1.08 0.00 0.00 175.30 174.85 2bet s TYR 40 N -3.81 2.65 -0.22 5.89 5.04 -1.26 -4.95 117.35 120.68 2bet s TYR 40 Ca 0.18 0.85 0.01 0.00 -2.44 0.00 0.00 57.07 55.67 2bet s TYR 40 Cb -0.03 -3.92 0.05 0.00 0.35 0.00 0.00 41.96 38.41 2bet s TYR 40 CO 0.09 -1.77 -0.08 0.34 -1.34 0.00 0.00 175.55 172.78 2bet s ASP 41 N 2.88 3.75 0.54 4.32 -1.08 -1.26 -5.03 116.67 120.78 2bet s ASP 41 Ca 0.57 -1.09 0.26 0.00 -0.52 0.00 0.00 52.55 51.78 2bet s ASP 41 Cb -0.17 -1.26 1.54 0.00 -1.46 0.00 0.00 42.92 41.57 2bet s ASP 41 CO 0.24 -0.19 2.14 0.00 0.52 0.00 0.00 175.17 177.87 2bet h ALA 42 N 7.93 1.44 -0.20 3.66 0.00 -1.95 -2.82 119.26 127.32 2bet h ALA 42 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2bet h ALA 42 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2bet h ALA 42 CO 0.45 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.54 2bet n ASP 43 N -3.82 2.95 -4.73 0.00 8.00 -1.26 -4.89 116.55 112.80 2bet n ASP 43 Ca -0.02 -1.88 -0.30 0.00 0.71 0.00 0.00 54.79 53.30 2bet n ASP 43 Cb 0.17 -0.12 0.13 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.46 3.54 -0.14 -2.24 1.47 -1.06 -5.03 116.67 111.73 2bet s ASP 44 Ca 0.29 1.39 -0.01 0.00 1.18 0.00 0.00 52.55 55.39 2bet s ASP 44 Cb 0.18 -2.07 -0.02 0.00 -0.34 0.00 0.00 42.92 40.67 2bet s ASP 44 CO 0.26 -2.58 -0.10 -1.81 0.68 0.00 0.00 175.17 171.61 2bet s ASP 45 N -3.54 4.20 0.23 2.11 1.01 -1.26 -4.73 116.67 114.69 2bet s ASP 45 Ca 0.63 -0.29 -0.04 0.00 0.71 0.00 0.00 52.55 53.56 2bet s ASP 45 Cb -0.17 -1.66 0.24 0.00 1.01 0.00 0.00 42.92 42.34 2bet s ASP 45 CO 0.56 0.15 1.71 0.10 0.21 0.00 0.00 175.17 177.90 2bet h TYR 46 N 6.85 0.93 -0.99 4.23 -0.00 -1.95 -3.34 116.97 122.69 2bet h TYR 46 Ca -0.29 -0.15 0.21 0.00 0.00 0.00 0.00 58.73 58.50 2bet h TYR 46 Cb 1.20 -0.25 -0.10 0.00 0.00 0.00 0.00 36.73 37.59 2bet h TYR 46 CO 0.52 0.87 0.62 -1.35 -0.00 0.00 0.00 178.16 178.81 2bet h PRO 47 N 0.79 0.59 -0.46 0.10 0.11 -1.96 -2.18 132.00 128.99 2bet h PRO 47 Ca 0.14 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 2bet h PRO 47 Cb 0.53 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 2bet h PRO 47 CO 0.03 0.39 -0.05 0.00 -0.21 0.00 0.00 178.00 178.16 2bet h ALA 48 N 1.64 0.62 -0.05 -0.75 0.00 -2.00 -1.43 119.26 117.29 2bet h ALA 48 Ca 0.57 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 2bet h ALA 48 Cb 1.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2bet h ALA 48 CO -0.34 0.47 -0.58 0.74 0.00 0.00 0.00 179.25 179.54 2bet h PHE 49 N 0.69 0.22 -0.03 0.00 -1.00 -1.63 -2.52 116.94 112.67 2bet h PHE 49 Ca 0.12 -0.08 -0.22 0.00 2.81 0.00 0.00 57.97 60.60 2bet h PHE 49 Cb 0.58 -0.04 0.02 0.00 3.61 0.00 0.00 35.95 40.11 2bet h PHE 49 CO 0.04 0.71 -0.83 0.00 -1.61 0.00 0.00 178.31 176.63 2bet h ILE 51 N 0.25 1.28 -0.20 0.00 2.04 -1.31 -1.16 117.51 118.41 2bet h ILE 51 Ca -0.09 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.37 2bet h ILE 51 Cb 1.49 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2bet h ILE 51 CO 0.16 0.40 -0.13 0.00 0.00 0.00 0.00 178.15 178.58 2bet h ALA 52 N 1.49 0.28 -0.26 1.87 0.00 -1.43 -1.30 119.26 119.92 2bet h ALA 52 Ca 0.02 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 2bet h ALA 52 Cb 0.70 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2bet h ALA 52 CO 0.05 0.15 -0.41 0.00 0.00 0.00 0.00 179.25 179.04 2bet h ALA 53 N 0.68 0.79 -0.14 0.00 0.00 -1.30 -2.33 119.26 116.95 2bet h ALA 53 Ca 0.04 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 2bet h ALA 53 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2bet h ALA 53 CO 0.04 0.65 -0.72 0.00 0.00 0.00 0.00 179.25 179.22 2bet h ALA 54 N 1.03 0.46 -0.38 0.00 0.00 -1.25 -2.49 119.26 116.63 2bet h ALA 54 Ca 0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2bet h ALA 54 Cb 0.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2bet h ALA 54 CO 0.08 0.71 -0.23 1.15 0.00 0.00 0.00 179.25 180.97 2bet h THR 55 N 0.45 1.28 0.00 0.00 2.02 -1.20 -2.53 112.91 112.94 2bet h THR 55 Ca -0.03 -1.38 -0.10 0.00 0.77 0.00 0.00 66.41 65.67 2bet h THR 55 Cb 1.32 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2bet h THR 55 CO 0.14 0.46 -0.48 0.03 0.37 0.00 0.00 175.52 176.03 2bet h ARG 56 N 0.62 0.00 -0.23 6.66 3.08 -1.48 -2.37 114.38 120.65 2bet h ARG 56 Ca 0.08 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 2bet h ARG 56 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 2bet h ARG 56 CO 0.06 0.48 -0.48 1.15 -1.07 0.00 0.00 179.97 180.12 2bet h THR 57 N 0.00 1.30 -0.11 2.04 2.02 -1.37 -3.04 112.91 113.75 2bet h THR 57 Ca -0.00 -1.69 -0.16 0.00 0.77 0.00 0.00 66.41 65.32 2bet h THR 57 Cb 1.11 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 2bet h THR 57 CO 0.06 0.54 -0.63 0.58 0.37 0.00 0.00 175.52 176.44 2bet h VAL 58 N 0.47 1.36 -0.01 3.16 2.07 -1.41 -3.02 116.25 118.86 2bet h VAL 58 Ca 0.01 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2bet h VAL 58 Cb 1.09 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2bet h VAL 58 CO 0.11 0.60 0.00 0.00 0.02 0.00 0.00 177.57 178.29 2bet n ALA 59 N -2.50 2.64 -3.41 1.67 0.00 -0.90 -4.19 120.51 113.83 2bet n ALA 59 Ca -0.03 -0.23 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 2bet n ALA 59 Cb 0.64 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 2bet n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2bet n ASP 60 N -0.71 0.87 -4.59 0.00 2.03 -1.14 -5.06 116.55 107.94 2bet n ASP 60 Ca 0.20 -2.76 -0.46 0.00 0.52 0.00 0.00 54.79 52.30 2bet n ASP 60 Cb 0.14 -0.63 -0.02 0.00 -0.72 0.00 0.00 41.12 39.89 2bet n ASP 60 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2bet n PRO 61 N 1.95 1.36 0.00 -0.67 -0.02 -1.26 -2.15 135.00 134.21 2bet n PRO 61 Ca 0.25 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2bet n PRO 61 Cb 0.47 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.53 1.94 3.90 -1.23 0.00 -1.26 -5.06 105.19 105.01 2bet n GLY 62 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.76 6.22 0.53 1.61 1.04 -0.92 -4.74 113.70 115.69 2bet s SER 63 Ca 0.00 0.95 0.02 0.00 0.48 0.00 0.00 55.95 57.40 2bet s SER 63 Cb 0.00 -2.23 0.01 0.00 0.10 0.00 0.00 66.02 63.89 2bet s SER 63 CO 0.00 -0.63 0.10 -0.76 0.98 0.00 0.00 173.24 172.93 2bet s LEU 64 N -4.79 2.34 -0.00 2.42 1.43 -0.54 -4.92 118.68 114.62 2bet s LEU 64 Ca 0.48 -1.58 -0.20 0.00 -1.03 0.00 0.00 54.13 51.80 2bet s LEU 64 Cb -0.10 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.34 2bet s LEU 64 CO 0.46 -0.95 0.44 -0.83 0.23 0.00 0.00 176.35 175.70 2bet s GLY 65 N -3.99 -0.30 -0.03 -3.19 0.00 0.67 -1.92 107.32 98.56 2bet s GLY 65 Ca 0.10 0.56 -0.01 0.00 0.00 0.00 0.00 44.72 45.38 2bet s GLY 65 CO 0.06 0.30 0.06 -0.42 0.00 0.00 0.00 173.10 173.10 2bet s ILE 66 N -1.70 -0.08 -0.13 0.90 1.01 -0.50 -2.01 121.20 118.70 2bet s ILE 66 Ca -0.10 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2bet s ILE 66 Cb -0.02 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.32 2bet s ILE 66 CO 0.03 0.11 -0.18 0.68 0.00 0.00 0.00 174.94 175.58 2bet s VAL 67 N 1.39 2.53 -0.06 2.92 -7.23 -0.37 -1.71 120.40 117.86 2bet s VAL 67 Ca -0.05 -0.84 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 2bet s VAL 67 Cb -0.13 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 2bet s VAL 67 CO -0.04 0.54 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.36 2bet s LEU 68 N 0.51 2.56 0.00 1.32 2.01 -0.27 -1.78 118.68 123.04 2bet s LEU 68 Ca -0.12 -0.29 0.00 0.00 0.01 0.00 0.00 54.13 53.73 2bet s LEU 68 Cb -0.16 -1.51 0.00 0.00 0.01 0.00 0.00 46.19 44.52 2bet s LEU 68 CO 0.05 0.30 0.00 0.61 1.01 0.00 0.00 176.35 178.31 2bet n GLY 69 N 2.62 4.89 0.06 -3.19 0.00 -1.04 -3.17 105.19 105.36 2bet n GLY 69 Ca -0.17 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 0.05 -0.02 0.00 -1.84 -2.23 103.07 99.03 2bet h GLY 70 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2bet h GLY 70 CO 0.00 0.00 -2.13 -1.14 0.00 0.00 0.00 176.54 173.27 2bet n SER 71 N -4.70 0.05 0.00 0.19 3.41 -1.26 -2.54 113.62 108.77 2bet n SER 71 Ca -0.05 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2bet n SER 71 Cb 0.18 1.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 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 1.47 1.47 0.14 5.00 0.00 -1.26 -2.93 105.19 109.08 2bet n GLY 72 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 0.64 -0.31 1.61 2.35 -1.94 -1.66 115.58 116.27 2bet h ASN 73 Ca 0.00 -0.90 -0.01 0.00 -0.55 0.00 0.00 56.30 54.84 2bet h ASN 73 Cb 0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2bet h ASN 73 CO 0.00 1.48 0.18 1.23 -1.65 0.00 0.00 177.43 178.67 2bet h GLY 74 N -0.11 0.50 0.83 2.83 0.00 -2.00 -2.31 103.07 102.81 2bet h GLY 74 Ca -0.17 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 2bet h GLY 74 CO 0.19 0.20 -0.36 0.83 0.00 0.00 0.00 176.54 177.40 2bet h GLU 75 N 0.47 0.49 -0.03 4.80 3.07 -1.92 -2.77 114.58 118.68 2bet h GLU 75 Ca 0.12 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.36 58.53 2bet h GLU 75 Cb 0.03 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2bet h GLU 75 CO -0.02 0.95 -0.51 -0.56 -1.40 0.00 0.00 179.01 177.47 2bet h GLN 76 N 0.10 0.09 -0.54 2.33 -0.00 -1.25 -2.41 115.11 113.42 2bet h GLN 76 Ca -0.01 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.54 2bet h GLN 76 Cb 0.97 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.43 2bet h GLN 76 CO 0.08 0.58 0.13 0.82 -0.00 0.00 0.00 178.83 180.44 2bet h ILE 77 N 0.07 1.25 -0.42 1.86 2.04 -1.39 -1.87 117.51 119.05 2bet h ILE 77 Ca -0.00 -0.88 -0.14 0.00 1.00 0.00 0.00 64.86 64.84 2bet h ILE 77 Cb 0.93 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2bet h ILE 77 CO 0.07 0.32 -0.27 0.00 0.00 0.00 0.00 178.15 178.28 2bet h ALA 78 N 1.01 0.60 -0.15 1.87 0.00 -1.38 -2.96 119.26 118.25 2bet h ALA 78 Ca 0.17 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2bet h ALA 78 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2bet h ALA 78 CO 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 179.25 179.74 2bet h ALA 79 N 0.81 1.51 0.00 0.00 0.00 -1.35 -2.62 119.26 117.62 2bet h ALA 79 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bet h ALA 79 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2bet h ALA 79 CO 0.07 0.35 0.00 0.09 0.00 0.00 0.00 179.25 179.77 2bet n ASN 80 N -4.28 0.76 0.22 0.00 3.02 -0.71 -2.59 115.26 111.68 2bet n ASN 80 Ca -0.01 0.61 0.14 0.00 -0.03 0.00 0.00 54.58 55.29 2bet n ASN 80 Cb 0.27 -0.80 0.38 0.00 -0.61 0.00 0.00 39.78 39.01 2bet n ASN 80 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2bet h LYS 81 N 0.00 0.00 -6.36 3.52 1.79 -1.36 -3.45 116.57 110.70 2bet h LYS 81 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2bet h LYS 81 Cb 0.61 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2bet h LYS 81 CO 0.00 0.00 0.76 0.08 -1.08 0.00 0.00 179.45 179.21 2bet s VAL 82 N -3.34 3.91 0.14 0.50 1.01 -1.07 -4.97 120.40 116.59 2bet s VAL 82 Ca 0.06 1.28 -0.34 0.00 0.00 0.00 0.00 61.98 62.98 2bet s VAL 82 Cb 0.07 -3.83 -0.16 0.00 0.00 0.00 0.00 36.38 32.47 2bet s VAL 82 CO 0.60 0.01 1.30 -2.65 0.00 0.00 0.00 175.10 174.37 2bet n PRO 83 N 5.17 1.35 -0.38 2.72 -0.02 -1.26 -2.07 135.00 140.51 2bet n PRO 83 Ca 0.12 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2bet n PRO 83 Cb 0.45 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.39 1.92 3.88 -1.23 0.00 -1.26 -4.98 105.19 105.90 2bet n GLY 84 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.27 3.67 -0.22 4.61 0.00 -0.88 -4.98 121.76 120.69 2bet s ALA 85 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 2bet s ALA 85 Cb 0.00 -2.32 0.08 0.00 0.00 0.00 0.00 23.12 20.88 2bet s ALA 85 CO 0.00 0.56 0.09 1.03 0.00 0.00 0.00 175.76 177.45 2bet s ARG 86 N -2.44 0.25 -0.24 0.00 0.52 -1.26 -4.82 118.95 110.96 2bet s ARG 86 Ca 0.41 -0.36 -0.00 0.00 -0.52 0.00 0.00 55.73 55.26 2bet s ARG 86 Cb -0.13 -1.68 0.03 0.00 0.52 0.00 0.00 34.95 33.70 2bet s ARG 86 CO 0.21 -0.80 -0.09 0.00 0.02 0.00 0.00 175.30 174.64 2bet s ALA 88 N 1.28 3.81 -0.40 0.00 0.00 -1.04 -4.88 121.76 120.53 2bet s ALA 88 Ca -0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 2bet s ALA 88 Cb -0.16 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.88 2bet s ALA 88 CO -0.06 0.65 0.86 -1.17 0.00 0.00 0.00 175.76 176.04 2bet s LEU 89 N -2.73 4.08 -0.37 0.00 2.96 -1.26 -0.72 118.68 120.63 2bet s LEU 89 Ca 0.40 0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 54.41 2bet s LEU 89 Cb -0.12 -3.13 0.00 0.00 0.50 0.00 0.00 46.19 43.45 2bet s LEU 89 CO 0.25 -0.88 0.55 0.00 -1.32 0.00 0.00 176.35 174.96 2bet s ALA 90 N 3.41 3.45 -0.30 5.97 0.00 -0.67 -4.88 121.76 128.73 2bet s ALA 90 Ca 0.35 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.31 2bet s ALA 90 Cb -0.12 -3.09 0.13 0.00 0.00 0.00 0.00 23.12 20.04 2bet s ALA 90 CO 0.21 -1.35 1.10 -2.67 0.00 0.00 0.00 175.76 173.05 2bet n TRP 91 N 5.86 0.17 -3.80 0.00 4.27 -1.26 -4.55 117.44 118.13 2bet n TRP 91 Ca -0.04 -0.54 -0.05 0.00 -3.89 0.00 0.00 57.50 52.99 2bet n TRP 91 Cb 0.49 -0.06 -0.01 0.00 -1.36 0.00 0.00 31.31 30.37 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 -1.13 -0.15 0.29 -0.67 1.04 -1.26 -5.02 113.70 106.80 2bet s SER 92 Ca 0.10 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.98 2bet s SER 92 Cb 0.06 0.58 0.44 0.00 0.10 0.00 0.00 66.02 67.21 2bet s SER 92 CO 0.05 -1.09 1.80 0.58 0.98 0.00 0.00 173.24 175.56 2bet h VAL 93 N 2.00 1.23 -0.14 5.02 2.07 -1.92 -2.61 116.25 121.90 2bet h VAL 93 Ca -0.24 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 2bet h VAL 93 Cb 1.23 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2bet h VAL 93 CO 0.28 0.33 -0.13 -0.61 0.02 0.00 0.00 177.57 177.45 2bet h GLN 94 N 0.61 0.34 0.00 1.57 4.15 -1.97 -2.39 115.11 117.42 2bet h GLN 94 Ca 0.12 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 2bet h GLN 94 Cb 0.43 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 2bet h GLN 94 CO 0.02 0.72 -0.27 1.79 -1.93 0.00 0.00 178.83 179.16 2bet h THR 95 N -0.02 0.63 -0.11 2.39 1.35 -1.94 -0.94 112.91 114.26 2bet h THR 95 Ca 0.02 -1.28 -0.23 0.00 -0.55 0.00 0.00 66.41 64.37 2bet h THR 95 Cb 0.65 1.86 0.01 0.00 -1.73 0.00 0.00 68.15 68.94 2bet h THR 95 CO 0.03 0.27 -0.85 0.00 -0.25 0.00 0.00 175.52 174.72 2bet h ALA 96 N 1.73 0.29 -0.27 6.62 0.00 -1.45 -2.04 119.26 124.14 2bet h ALA 96 Ca -0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.10 2bet h ALA 96 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bet h ALA 96 CO 0.04 0.70 -0.53 0.00 0.00 0.00 0.00 179.25 179.45 2bet h ALA 97 N 0.56 0.43 0.00 0.00 0.00 -1.31 -3.13 119.26 115.81 2bet h ALA 97 Ca -0.07 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2bet h ALA 97 Cb 1.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2bet h ALA 97 CO 0.17 0.63 -0.22 -0.07 0.00 0.00 0.00 179.25 179.76 2bet h LEU 98 N 0.61 0.00 -0.68 0.00 3.38 -1.22 -0.67 115.31 116.73 2bet h LEU 98 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2bet h LEU 98 Cb 1.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2bet h LEU 98 CO 0.12 0.22 0.07 0.00 0.09 0.00 0.00 178.44 178.94 2bet h ALA 99 N 1.78 0.89 0.04 1.53 0.00 -1.31 -1.55 119.26 120.65 2bet h ALA 99 Ca -0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 2bet h ALA 99 Cb 0.64 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2bet h ALA 99 CO 0.03 0.67 -0.65 0.00 0.00 0.00 0.00 179.25 179.30 2bet h ARG 100 N 1.02 0.37 0.21 0.00 2.47 -1.49 -0.77 114.38 116.18 2bet h ARG 100 Ca 0.19 -0.45 -0.01 0.00 -1.26 0.00 0.00 59.98 58.46 2bet h ARG 100 Cb 0.48 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2bet h ARG 100 CO 0.02 1.14 -0.10 0.93 0.56 0.00 0.00 179.97 182.52 2bet h GLU 101 N -0.20 -0.27 0.05 0.04 5.08 -1.12 -3.00 114.58 115.17 2bet h GLU 101 Ca -0.09 0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 57.93 2bet h GLU 101 Cb 1.39 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.66 2bet h GLU 101 CO 0.13 -0.00 -2.02 0.72 -1.00 0.00 0.00 179.01 176.83 2bet n HIS 102 N -5.10 0.73 1.01 4.33 8.25 -0.59 -3.16 115.22 120.69 2bet n HIS 102 Ca -0.09 0.21 0.11 0.00 -0.26 0.00 0.00 57.72 57.69 2bet n HIS 102 Cb 0.21 -1.09 0.05 0.00 1.12 0.00 0.00 29.99 30.28 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 -3.78 0.82 -3.88 0.41 4.13 -1.10 -4.80 115.26 107.06 2bet n ASN 103 Ca -0.39 -0.70 -0.31 0.00 1.68 0.00 0.00 54.58 54.87 2bet n ASN 103 Cb 0.92 0.65 -0.00 0.00 -1.54 0.00 0.00 39.78 39.81 2bet n ASN 103 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2bet n ASN 104 N -1.44 -3.94 -4.65 6.41 5.15 -0.88 -4.86 115.26 111.05 2bet n ASN 104 Ca 0.05 -0.76 -0.42 0.00 -0.60 0.00 0.00 54.58 52.85 2bet n ASN 104 Cb 0.34 -3.21 -0.03 0.00 -0.53 0.00 0.00 39.78 36.35 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 -3.18 3.52 -0.32 5.20 0.00 -0.35 -4.87 121.76 121.76 2bet s ALA 105 Ca 0.63 0.84 0.27 0.00 0.00 0.00 0.00 51.96 53.69 2bet s ALA 105 Cb -0.33 -3.78 0.85 0.00 0.00 0.00 0.00 23.12 19.87 2bet s ALA 105 CO 0.77 -1.55 1.78 1.96 0.00 0.00 0.00 175.76 178.72 2bet h GLN 106 N 9.93 0.00 -4.83 0.00 7.50 -1.84 -3.43 115.11 122.44 2bet h GLN 106 Ca -0.38 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 58.49 2bet h GLN 106 Cb 1.17 0.00 -0.17 0.00 0.05 0.00 0.00 27.48 28.54 2bet h GLN 106 CO 0.96 0.00 -0.72 -0.51 -1.50 0.00 0.00 178.83 177.07 2bet s LEU 107 N -5.65 2.44 0.05 1.46 1.02 -1.12 -0.24 118.68 116.65 2bet s LEU 107 Ca 0.05 -0.88 0.02 0.00 0.02 0.00 0.00 54.13 53.35 2bet s LEU 107 Cb 0.08 -0.22 -0.03 0.00 0.02 0.00 0.00 46.19 46.05 2bet s LEU 107 CO 0.57 -0.33 -0.08 0.27 0.02 0.00 0.00 176.35 176.80 2bet s ILE 108 N -2.85 0.62 -0.10 -0.59 -4.36 -0.85 -2.48 121.20 110.59 2bet s ILE 108 Ca 0.08 -1.21 -0.03 0.00 -0.26 0.00 0.00 60.65 59.22 2bet s ILE 108 Cb -0.00 -0.79 -0.03 0.00 1.25 0.00 0.00 42.46 42.88 2bet s ILE 108 CO -0.01 -0.43 0.03 -0.83 0.24 0.00 0.00 174.94 173.93 2bet s GLY 109 N -1.79 1.90 -0.04 6.27 0.00 0.10 -1.24 107.32 112.52 2bet s GLY 109 Ca -0.06 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 43.91 2bet s GLY 109 CO -0.00 -0.49 -0.14 -0.42 0.00 0.00 0.00 173.10 172.05 2bet s ILE 110 N -0.80 1.20 -0.33 0.90 1.01 -0.73 -1.68 121.20 120.77 2bet s ILE 110 Ca 0.12 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 2bet s ILE 110 Cb -0.12 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 2bet s ILE 110 CO 0.02 0.36 0.63 -0.83 0.00 0.00 0.00 174.94 175.12 2bet s GLY 111 N 0.21 1.76 0.36 6.18 0.00 -1.15 -2.50 107.32 112.19 2bet s GLY 111 Ca -0.06 -0.77 0.14 0.00 0.00 0.00 0.00 44.72 44.03 2bet s GLY 111 CO 0.02 1.46 1.78 -1.33 0.00 0.00 0.00 173.10 175.04 2bet h GLY 112 N 9.27 0.00 2.00 0.20 0.00 -1.26 -2.80 103.07 110.47 2bet h GLY 112 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2bet h GLY 112 CO 0.82 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.90 2bet n ARG 113 N -3.91 0.06 0.03 4.80 1.74 -1.05 -3.42 116.66 114.92 2bet n ARG 113 Ca -0.01 0.18 0.05 0.00 -0.77 0.00 0.00 57.85 57.30 2bet n ARG 113 Cb 0.46 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.71 0.63 -4.34 5.56 2.81 -1.06 -4.99 117.12 114.03 2bet n MET 114 Ca 0.05 0.08 -0.19 0.00 -1.81 0.00 0.00 57.70 55.82 2bet n MET 114 Cb 0.27 -1.72 -0.10 0.00 -0.71 0.00 0.00 33.22 30.96 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 -3.15 1.72 0.91 2.03 3.76 -1.22 -5.11 115.29 114.23 2bet s HIS 115 Ca -0.04 -0.54 -0.12 0.00 -0.15 0.00 0.00 55.06 54.20 2bet s HIS 115 Cb 0.10 -0.82 0.14 0.00 1.11 0.00 0.00 32.58 33.11 2bet s HIS 115 CO 0.83 0.34 1.14 0.95 -0.85 0.00 0.00 174.74 177.15 2bet s THR 116 N -2.69 2.00 0.22 1.30 -4.23 -1.26 -4.90 115.64 106.08 2bet s THR 116 Ca 0.20 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.66 2bet s THR 116 Cb -0.02 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.14 2bet s THR 116 CO 0.07 0.00 1.67 0.58 -0.54 0.00 0.00 174.62 176.39 2bet h VAL 117 N -1.51 1.26 -0.46 2.29 2.07 -2.00 -2.31 116.25 115.60 2bet h VAL 117 Ca -0.51 -1.20 -0.12 0.00 0.82 0.00 0.00 66.70 65.69 2bet h VAL 117 Cb 1.33 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2bet h VAL 117 CO 0.62 0.41 -0.18 0.00 0.02 0.00 0.00 177.57 178.44 2bet h ALA 118 N 1.11 0.64 -0.46 1.67 0.00 -2.00 -2.59 119.26 117.63 2bet h ALA 118 Ca 0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2bet h ALA 118 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2bet h ALA 118 CO 0.04 0.59 0.10 0.93 0.00 0.00 0.00 179.25 180.92 2bet h GLU 119 N 0.77 0.69 -0.26 0.00 5.08 -1.91 -2.63 114.58 116.31 2bet h GLU 119 Ca 0.11 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 2bet h GLU 119 Cb 0.75 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2bet h GLU 119 CO 0.06 0.64 -0.49 0.00 -1.00 0.00 0.00 179.01 178.21 2bet h ALA 120 N 1.44 0.64 0.00 3.43 0.00 -1.28 -2.79 119.26 120.71 2bet h ALA 120 Ca 0.15 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2bet h ALA 120 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2bet h ALA 120 CO -0.00 0.68 -0.45 -0.07 0.00 0.00 0.00 179.25 179.40 2bet h LEU 121 N 0.56 0.00 -0.65 0.00 3.38 -1.34 -2.13 115.31 115.13 2bet h LEU 121 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2bet h LEU 121 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2bet h LEU 121 CO 0.10 0.45 -0.55 0.00 0.09 0.00 0.00 178.44 178.53 2bet h ALA 122 N 1.55 0.83 -0.52 1.53 0.00 -1.43 -1.59 119.26 119.62 2bet h ALA 122 Ca -0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2bet h ALA 122 Cb 1.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2bet h ALA 122 CO 0.06 0.69 -0.06 0.82 0.00 0.00 0.00 179.25 180.76 2bet h ILE 123 N 0.27 1.26 -0.48 0.00 2.04 -1.21 -2.40 117.51 116.99 2bet h ILE 123 Ca 0.00 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.57 2bet h ILE 123 Cb 1.06 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2bet h ILE 123 CO 0.09 0.41 -0.19 0.58 0.00 0.00 0.00 178.15 179.04 2bet h VAL 124 N 0.85 1.27 -0.39 1.67 2.07 -1.26 -2.45 116.25 118.02 2bet h VAL 124 Ca 0.15 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2bet h VAL 124 Cb 0.58 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2bet h VAL 124 CO 0.04 0.47 0.19 0.44 0.02 0.00 0.00 177.57 178.73 2bet h ASP 125 N 0.83 0.50 -0.19 0.57 3.32 -1.20 -2.16 116.42 118.09 2bet h ASP 125 Ca 0.11 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2bet h ASP 125 Cb 0.77 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2bet h ASP 125 CO 0.06 0.47 -0.05 0.00 -1.72 0.00 0.00 179.24 178.01 2bet h ALA 126 N 1.05 1.33 -0.26 3.45 0.00 -1.42 -2.63 119.26 120.78 2bet h ALA 126 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2bet h ALA 126 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bet h ALA 126 CO -0.02 0.45 -0.25 0.35 0.00 0.00 0.00 179.25 179.78 2bet h PHE 127 N 0.48 0.76 -0.00 0.00 3.57 -1.08 -2.51 116.94 118.16 2bet h PHE 127 Ca 0.10 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2bet h PHE 127 Cb 0.38 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2bet h PHE 127 CO 0.01 0.94 -0.39 1.33 -2.23 0.00 0.00 178.31 177.98 2bet n VAL 128 N -4.33 0.00 -0.02 1.41 0.24 -0.84 -4.10 118.33 110.69 2bet n VAL 128 Ca -0.04 -0.02 0.02 0.00 -2.04 0.00 0.00 64.34 62.26 2bet n VAL 128 Cb 0.44 0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 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 -1.39 0.24 -2.36 3.34 -2.24 -1.00 -4.89 114.28 105.98 2bet n THR 129 Ca 0.07 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2bet n THR 129 Cb 0.33 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.57 4.09 0.61 4.28 2.01 -0.94 -5.01 115.64 118.10 2bet s THR 130 Ca -0.04 1.39 -0.14 0.00 0.31 0.00 0.00 61.69 63.20 2bet s THR 130 Cb 0.05 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2bet s THR 130 CO 0.43 -0.06 1.04 -2.84 -0.69 0.00 0.00 174.62 172.51 2bet s PRO 131 N 2.87 3.37 -0.05 4.92 0.02 -1.26 -4.81 135.00 140.06 2bet s PRO 131 Ca 0.59 1.04 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 2bet s PRO 131 Cb -0.26 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 2bet s PRO 131 CO 0.21 -0.75 1.09 -0.46 -0.33 0.00 0.00 177.00 176.75 2bet s TRP 132 N -2.73 3.42 0.31 6.54 -0.00 -1.26 -3.92 118.94 121.30 2bet s TRP 132 Ca 0.60 1.45 0.12 0.00 -0.00 0.00 0.00 56.10 58.28 2bet s TRP 132 Cb -0.14 -3.28 0.54 0.00 -0.00 0.00 0.00 33.47 30.59 2bet s TRP 132 CO 0.43 -0.67 1.71 0.66 -0.00 0.00 0.00 176.95 179.07 2bet h SER 133 N 7.13 0.00 -0.46 5.86 4.64 -1.72 -3.47 113.55 125.53 2bet h SER 133 Ca -0.35 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.77 2bet h SER 133 Cb 1.17 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.18 2bet h SER 133 CO 0.84 0.50 -0.18 0.29 -0.87 0.00 0.00 176.83 177.41 2bet n LYS 134 N -3.90 -0.92 -1.41 4.77 5.02 -1.26 -4.99 118.16 115.48 2bet n LYS 134 Ca -0.01 0.80 -0.33 0.00 -2.02 0.00 0.00 58.31 56.74 2bet n LYS 134 Cb 0.52 -4.79 0.09 0.00 -0.02 0.00 0.00 35.03 30.83 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 -2.24 2.13 0.03 7.82 0.00 -1.26 -4.87 121.76 123.38 2bet s ALA 135 Ca 0.00 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.45 2bet s ALA 135 Cb 0.00 -3.42 -0.15 0.00 0.00 0.00 0.00 23.12 19.55 2bet s ALA 135 CO 0.00 -1.83 1.41 0.37 0.00 0.00 0.00 175.76 175.71 2bet h GLN 136 N -0.48 0.19 -0.01 0.00 4.15 -2.00 -2.51 115.11 114.45 2bet h GLN 136 Ca -0.46 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 58.79 2bet h GLN 136 Cb 1.27 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2bet h GLN 136 CO 0.50 0.51 -0.44 0.07 -1.93 0.00 0.00 178.83 177.54 2bet h ARG 137 N -0.15 0.02 -0.17 1.69 0.11 -1.99 -1.51 114.38 112.38 2bet h ARG 137 Ca 0.02 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.03 2bet h ARG 137 Cb 0.44 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.52 2bet h ARG 137 CO 0.01 0.46 -0.16 0.45 0.10 0.00 0.00 179.97 180.83 2bet h HIS 138 N 0.01 0.49 -0.33 4.08 3.86 -1.85 -2.62 115.15 118.80 2bet h HIS 138 Ca -0.00 -0.15 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 2bet h HIS 138 Cb 0.79 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 2bet h HIS 138 CO 0.00 0.78 -0.11 0.37 0.86 0.00 0.00 177.93 179.83 2bet h GLN 139 N 0.07 0.56 -0.89 2.45 5.75 -1.33 -1.88 115.11 119.83 2bet h GLN 139 Ca 0.03 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 2bet h GLN 139 Cb 0.69 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 2bet h GLN 139 CO 0.04 0.66 0.53 -0.09 -2.65 0.00 0.00 178.83 177.32 2bet h ARG 140 N 0.51 1.20 0.08 1.69 2.43 -1.22 -1.91 114.38 117.17 2bet h ARG 140 Ca 0.10 -0.11 -0.26 0.00 -0.81 0.00 0.00 59.98 58.89 2bet h ARG 140 Cb 0.50 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2bet h ARG 140 CO 0.03 0.85 -1.13 0.00 -1.51 0.00 0.00 179.97 178.20 2bet h ARG 141 N 1.22 0.40 -0.58 0.20 3.08 -1.14 -2.59 114.38 114.97 2bet h ARG 141 Ca 0.32 -0.54 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 2bet h ARG 141 Cb -0.05 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2bet h ARG 141 CO -0.06 1.21 0.20 0.82 -1.07 0.00 0.00 179.97 181.07 2bet h ILE 142 N 0.17 1.22 -0.02 2.04 2.04 -1.25 -2.63 117.51 119.09 2bet h ILE 142 Ca -0.13 -0.72 -0.20 0.00 1.00 0.00 0.00 64.86 64.81 2bet h ILE 142 Cb 1.81 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2bet h ILE 142 CO 0.20 0.28 -0.84 0.44 0.00 0.00 0.00 178.15 178.22 2bet h ASP 143 N 0.84 0.39 -0.85 1.72 3.32 -1.33 -1.52 116.42 118.99 2bet h ASP 143 Ca 0.19 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2bet h ASP 143 Cb 0.22 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2bet h ASP 143 CO -0.01 1.07 0.42 0.40 -1.72 0.00 0.00 179.24 179.40 2bet h ILE 144 N 0.19 1.26 -0.27 0.35 2.04 -1.34 -1.85 117.51 117.88 2bet h ILE 144 Ca -0.05 -0.72 -0.18 0.00 1.00 0.00 0.00 64.86 64.91 2bet h ILE 144 Cb 1.45 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2bet h ILE 144 CO 0.14 0.31 -0.54 0.25 0.00 0.00 0.00 178.15 178.31 2bet h LEU 145 N 1.21 0.90 -1.51 1.44 5.85 -1.35 -2.66 115.31 119.20 2bet h LEU 145 Ca 0.29 -0.48 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 2bet h LEU 145 Cb 0.11 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2bet h LEU 145 CO -0.04 1.26 -0.25 0.00 -0.34 0.00 0.00 178.44 179.07 2bet h ALA 146 N 0.76 1.55 -0.11 1.25 0.00 -1.11 -1.74 119.26 119.86 2bet h ALA 146 Ca 0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 2bet h ALA 146 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2bet h ALA 146 CO 0.12 0.31 -0.75 1.49 0.00 0.00 0.00 179.25 180.42 2bet h GLU 147 N 0.00 0.55 -0.21 0.00 4.57 -1.23 -2.83 114.58 115.43 2bet h GLU 147 Ca -0.00 -0.45 -0.09 0.00 -1.18 0.00 0.00 59.36 57.63 2bet h GLU 147 Cb 0.45 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2bet h GLU 147 CO 0.03 1.08 -0.28 -0.92 -1.18 0.00 0.00 179.01 177.74 2bet h TYR 148 N 0.38 0.46 -0.25 0.92 5.03 -1.08 -2.68 116.97 119.75 2bet h TYR 148 Ca -0.04 -0.10 -0.07 0.00 2.58 0.00 0.00 58.73 61.10 2bet h TYR 148 Cb 1.34 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.50 2bet h TYR 148 CO 0.06 0.65 -0.17 0.93 -1.32 0.00 0.00 178.16 178.32 2bet h GLU 149 N 0.36 0.44 -0.01 1.82 5.08 -1.24 0.23 114.58 121.27 2bet h GLU 149 Ca 0.05 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2bet h GLU 149 Cb 0.68 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2bet h GLU 149 CO 0.05 0.60 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.53 2bet h ARG 150 N 0.40 0.04 0.00 2.33 2.43 -1.33 -3.39 114.38 114.87 2bet h ARG 150 Ca 0.07 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.01 2bet h ARG 150 Cb 0.53 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 2bet h ARG 150 CO 0.03 0.67 -2.08 0.25 -1.51 0.00 0.00 179.97 177.33 2bet n THR 151 N -4.74 0.77 -2.64 0.20 -2.24 -1.02 -5.01 114.28 99.60 2bet n THR 151 Ca -0.09 -0.63 -0.20 0.00 -2.27 0.00 0.00 64.05 60.85 2bet n THR 151 Cb 0.34 -0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.47 -1.35 -3.58 4.78 8.25 0.82 -5.00 115.22 116.67 2bet n HIS 152 Ca -0.20 0.22 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 2bet n HIS 152 Cb 0.86 -4.06 -0.11 0.00 1.12 0.00 0.00 29.99 27.80 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 -5.27 3.31 0.11 -0.41 8.01 -1.26 -5.06 118.70 118.13 2bet s GLU 153 Ca 0.12 -0.75 -0.32 0.00 0.01 0.00 0.00 54.97 54.03 2bet s GLU 153 Cb -0.06 -3.72 -0.11 0.00 -4.31 0.00 0.00 34.13 25.93 2bet s GLU 153 CO 0.15 -0.49 1.80 0.00 0.01 0.00 0.00 175.26 176.73 2bet n ALA 154 N 5.05 1.93 -1.39 5.21 0.00 -1.26 -4.76 120.51 125.28 2bet n ALA 154 Ca -0.13 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.33 2bet n ALA 154 Cb 0.49 -2.54 0.07 0.00 0.00 0.00 0.00 19.45 17.47 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 2.55 2.55 0.26 0.00 0.04 -1.26 -4.96 135.00 134.18 2bet s PRO 155 Ca 0.82 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2bet s PRO 155 Cb -0.54 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.97 2bet s PRO 155 CO 0.39 -1.42 1.32 -1.25 0.04 0.00 0.00 177.00 176.08 2bet s PRO 156 N -4.65 4.37 -0.05 0.56 0.04 -1.26 -5.01 135.00 129.01 2bet s PRO 156 Ca 0.62 2.14 -0.22 0.00 0.04 0.00 0.00 61.00 63.58 2bet s PRO 156 Cb -0.18 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2bet s PRO 156 CO 0.51 -0.23 0.64 0.08 0.04 0.00 0.00 177.00 178.04 2bet s VAL 157 N -0.43 5.00 0.00 -0.36 1.01 -1.26 -4.97 120.40 119.40 2bet s VAL 157 Ca 0.54 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2bet s VAL 157 Cb -0.38 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2bet s VAL 157 CO 0.44 0.32 0.00 -2.65 0.00 0.00 0.00 175.10 173.22 2bet n PRO 158 N 3.36 0.00 0.00 2.72 -0.02 -1.26 -4.64 135.00 135.16 2bet n PRO 158 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2bet n PRO 158 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2bet n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bet n GLY 159 N 1.91 2.30 0.09 -1.23 0.00 -1.26 -5.38 105.19 101.62 2bet n GLY 159 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.12 2bet n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32