#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bet s GLY 3 N 0.00 2.80 -0.05 0.46 0.00 -1.26 -4.95 107.32 104.32 2bet s GLY 3 Ca 0.00 0.95 0.01 0.00 0.00 0.00 0.00 44.72 45.68 2bet s GLY 3 CO 0.00 1.42 -0.07 1.06 0.00 0.00 0.00 173.10 175.51 2bet s MET 4 N -2.59 1.08 0.17 2.90 1.00 -1.26 -4.98 119.30 115.63 2bet s MET 4 Ca 0.62 -0.19 -0.30 0.00 0.00 0.00 0.00 55.69 55.81 2bet s MET 4 Cb -0.29 -1.01 -0.08 0.00 0.00 0.00 0.00 34.83 33.45 2bet s MET 4 CO 0.36 -0.05 1.27 0.50 0.00 0.00 0.00 175.02 177.09 2bet s ARG 5 N 0.85 4.42 -0.14 2.03 3.52 -1.26 -1.78 118.95 126.60 2bet s ARG 5 Ca -0.12 1.97 -0.03 0.00 -0.13 0.00 0.00 55.73 57.42 2bet s ARG 5 Cb -0.15 -3.23 0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2bet s ARG 5 CO 0.01 -0.22 0.04 0.08 -0.81 0.00 0.00 175.30 174.41 2bet s VAL 6 N 0.25 0.25 -0.26 7.11 1.01 -0.70 -1.10 120.40 126.96 2bet s VAL 6 Ca 0.56 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.15 2bet s VAL 6 Cb -0.34 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 2bet s VAL 6 CO 0.36 -0.05 0.81 -0.31 0.00 0.00 0.00 175.10 175.90 2bet s TYR 7 N 2.00 3.28 -0.09 5.22 1.51 -0.77 -0.90 117.35 127.59 2bet s TYR 7 Ca 0.02 1.03 -0.01 0.00 -1.01 0.00 0.00 57.07 57.10 2bet s TYR 7 Cb -0.15 -3.08 -0.03 0.00 -0.11 0.00 0.00 41.96 38.59 2bet s TYR 7 CO -0.07 -0.44 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.41 2bet s LEU 8 N 2.86 3.47 0.06 -1.29 1.02 -0.59 -1.47 118.68 122.75 2bet s LEU 8 Ca 0.34 0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.60 2bet s LEU 8 Cb -0.15 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 2bet s LEU 8 CO 0.09 0.36 -0.08 -0.83 0.02 0.00 0.00 176.35 175.90 2bet s GLY 9 N -0.77 0.64 -0.10 -3.19 0.00 -0.54 -1.20 107.32 102.16 2bet s GLY 9 Ca 0.12 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 43.56 2bet s GLY 9 CO 0.02 -1.04 0.91 0.00 0.00 0.00 0.00 173.10 172.99 2bet s ALA 10 N -2.03 -1.88 0.30 3.20 0.00 -0.60 -1.07 121.76 119.69 2bet s ALA 10 Ca -0.02 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.34 2bet s ALA 10 Cb -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2bet s ALA 10 CO -0.01 -0.42 0.26 -0.40 0.00 0.00 0.00 175.76 175.20 2bet n ASP 11 N 0.50 0.53 -0.20 0.00 5.75 -1.17 -1.58 116.55 120.38 2bet n ASP 11 Ca -0.11 -1.41 0.11 0.00 -0.01 0.00 0.00 54.79 53.37 2bet n ASP 11 Cb 0.59 -0.15 0.41 0.00 -1.03 0.00 0.00 41.12 40.93 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 -0.17 0.69 -0.17 2.11 2.07 -1.84 0.01 115.15 117.85 2bet h HIS 12 Ca -0.09 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.34 2bet h HIS 12 Cb 0.37 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 30.11 2bet h HIS 12 CO 0.00 0.30 -0.40 0.00 -3.07 0.00 0.00 177.93 174.76 2bet h ALA 13 N 1.62 1.01 -0.50 6.11 0.00 -1.91 -3.04 119.26 122.54 2bet h ALA 13 Ca 0.37 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bet h ALA 13 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2bet h ALA 13 CO -0.14 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.13 2bet n GLY 14 N -0.13 2.46 0.06 0.00 0.00 -0.97 -4.58 105.19 102.03 2bet n GLY 14 Ca -0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 3.20 0.05 -0.66 1.61 3.20 -0.88 -1.89 116.97 121.59 2bet h TYR 15 Ca 0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2bet h TYR 15 Cb 0.85 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 2bet h TYR 15 CO 0.34 0.23 0.08 0.93 -1.64 0.00 0.00 178.16 178.09 2bet h GLU 16 N -0.13 1.11 -0.14 1.82 4.39 -1.84 -2.31 114.58 117.48 2bet h GLU 16 Ca 0.01 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 2bet h GLU 16 Cb 0.20 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2bet h GLU 16 CO -0.00 1.03 -0.26 1.25 -1.16 0.00 0.00 179.01 179.87 2bet h LEU 17 N 1.03 0.25 -0.72 1.33 5.85 -1.88 -2.89 115.31 118.29 2bet h LEU 17 Ca 0.20 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2bet h LEU 17 Cb 0.47 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2bet h LEU 17 CO 0.02 0.51 0.35 0.50 -0.34 0.00 0.00 178.44 179.48 2bet h LYS 18 N 0.23 1.03 -0.28 1.25 3.64 -0.78 -0.82 116.57 120.83 2bet h LYS 18 Ca 0.04 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2bet h LYS 18 Cb 0.58 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2bet h LYS 18 CO 0.04 0.81 -0.17 1.96 -2.27 0.00 0.00 179.45 179.82 2bet h GLN 19 N 1.00 0.50 -0.03 1.90 1.08 -1.32 -1.14 115.11 117.10 2bet h GLN 19 Ca 0.25 -0.16 -0.14 0.00 -1.45 0.00 0.00 58.65 57.15 2bet h GLN 19 Cb 0.11 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2bet h GLN 19 CO -0.03 0.65 -0.61 0.00 -0.95 0.00 0.00 178.83 177.90 2bet h ARG 20 N 0.45 0.11 0.07 1.46 3.08 -1.26 -2.65 114.38 115.64 2bet h ARG 20 Ca 0.08 -0.08 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 2bet h ARG 20 Cb 0.56 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.63 2bet h ARG 20 CO 0.04 0.68 -1.10 0.82 -1.07 0.00 0.00 179.97 179.34 2bet h ILE 21 N 0.08 1.40 -0.66 2.04 2.04 -0.88 -2.23 117.51 119.31 2bet h ILE 21 Ca -0.01 -2.63 -0.02 0.00 1.00 0.00 0.00 64.86 63.20 2bet h ILE 21 Cb 1.09 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 39.78 2bet h ILE 21 CO 0.09 0.78 0.32 0.40 0.00 0.00 0.00 178.15 179.74 2bet h ILE 22 N 0.19 1.22 -0.27 -0.67 2.04 -1.21 -0.66 117.51 118.15 2bet h ILE 22 Ca -0.12 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 2bet h ILE 22 Cb 1.77 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 2bet h ILE 22 CO 0.19 0.26 0.05 -0.08 0.00 0.00 0.00 178.15 178.56 2bet h GLU 23 N 0.91 0.45 -0.69 2.37 4.57 -1.50 -2.35 114.58 118.36 2bet h GLU 23 Ca 0.23 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2bet h GLU 23 Cb 0.11 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2bet h GLU 23 CO -0.03 0.57 0.29 1.25 -1.18 0.00 0.00 179.01 179.91 2bet h HIS 24 N 0.27 1.01 -0.12 0.92 2.76 -1.19 -2.23 115.15 116.57 2bet h HIS 24 Ca 0.08 -0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 2bet h HIS 24 Cb 0.33 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 2bet h HIS 24 CO 0.02 0.76 -0.53 -0.07 -1.30 0.00 0.00 177.93 176.81 2bet h LEU 25 N 0.99 0.37 -0.99 0.26 3.38 -1.06 -2.41 115.31 115.84 2bet h LEU 25 Ca 0.23 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2bet h LEU 25 Cb 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2bet h LEU 25 CO -0.02 0.84 -0.07 0.11 0.09 0.00 0.00 178.44 179.38 2bet h LYS 26 N 0.26 0.65 0.00 1.13 1.57 -1.07 -1.18 116.57 117.92 2bet h LYS 26 Ca 0.01 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 2bet h LYS 26 Cb 1.02 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 2bet h LYS 26 CO 0.09 0.72 -0.12 1.96 -0.57 0.00 0.00 179.45 181.52 2bet h GLN 27 N 0.60 0.00 -0.41 3.15 1.08 -1.08 -3.26 115.11 115.18 2bet h GLN 27 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2bet h GLN 27 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2bet h GLN 27 CO 0.03 0.12 0.00 0.25 -0.95 0.00 0.00 178.83 178.28 2bet n THR 28 N -3.18 2.03 -0.55 -0.54 -2.24 -0.94 -4.96 114.28 103.90 2bet n THR 28 Ca 0.02 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 2bet n THR 28 Cb 0.48 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.22 0.76 3.97 3.38 0.00 -1.18 -4.96 105.19 107.38 2bet n GLY 29 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.75 2.93 -0.51 1.61 3.76 -0.46 -4.45 115.29 115.42 2bet s HIS 30 Ca 0.00 -0.03 0.03 0.00 -0.15 0.00 0.00 55.06 54.91 2bet s HIS 30 Cb 0.00 -2.59 0.13 0.00 1.11 0.00 0.00 32.58 31.23 2bet s HIS 30 CO 0.00 -0.68 0.26 -2.00 -0.85 0.00 0.00 174.74 171.46 2bet s GLU 31 N -4.65 2.00 0.33 1.40 2.12 -0.73 -4.09 118.70 115.09 2bet s GLU 31 Ca 0.55 -2.53 -0.26 0.00 0.36 0.00 0.00 54.97 53.08 2bet s GLU 31 Cb -0.10 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.83 2bet s GLU 31 CO 0.37 -1.10 0.98 -1.25 -0.54 0.00 0.00 175.26 173.72 2bet s PRO 32 N -0.14 4.50 -0.14 4.30 0.04 -1.26 -1.73 135.00 140.58 2bet s PRO 32 Ca 0.16 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 2bet s PRO 32 Cb -0.25 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.54 2bet s PRO 32 CO -0.01 0.18 -0.03 0.42 0.04 0.00 0.00 177.00 177.60 2bet s ILE 33 N -1.57 0.81 -0.30 0.56 1.01 -0.08 -4.92 121.20 116.71 2bet s ILE 33 Ca 0.51 -0.38 -0.27 0.00 0.00 0.00 0.00 60.65 60.51 2bet s ILE 33 Cb -0.21 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.26 2bet s ILE 33 CO 0.26 0.14 0.97 -0.62 0.00 0.00 0.00 174.94 175.69 2bet s ASP 34 N 1.77 6.87 0.00 3.58 3.68 -1.26 -1.54 116.67 129.77 2bet s ASP 34 Ca 0.02 0.98 0.26 0.00 2.13 0.00 0.00 52.55 55.95 2bet s ASP 34 Cb -0.14 -2.49 0.68 0.00 -1.45 0.00 0.00 42.92 39.51 2bet s ASP 34 CO -0.07 -0.75 1.52 0.00 0.13 0.00 0.00 175.17 176.00 2bet n GLY 36 N 1.30 2.45 3.77 0.00 0.00 -1.26 -4.92 105.19 106.53 2bet n GLY 36 Ca 0.14 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.73 3.26 0.06 4.61 0.00 -0.61 -1.55 121.76 124.80 2bet s ALA 37 Ca 0.00 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.65 2bet s ALA 37 Cb 0.00 -3.21 -0.16 0.00 0.00 0.00 0.00 23.12 19.75 2bet s ALA 37 CO 0.00 0.12 1.28 -0.07 0.00 0.00 0.00 175.76 177.09 2bet h LEU 38 N 3.51 0.00 -9.09 0.00 3.38 -1.92 -3.47 115.31 107.73 2bet h LEU 38 Ca -0.46 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.01 2bet h LEU 38 Cb 1.20 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 2bet h LEU 38 CO 0.66 0.91 -0.70 -0.13 0.09 0.00 0.00 178.44 179.26 2bet s ARG 39 N -2.75 1.51 -0.12 1.13 0.52 -1.26 -5.12 118.95 112.86 2bet s ARG 39 Ca 0.01 -1.73 -0.30 0.00 -0.52 0.00 0.00 55.73 53.19 2bet s ARG 39 Cb 0.09 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.32 2bet s ARG 39 CO 0.81 0.11 1.20 -0.47 0.02 0.00 0.00 175.30 176.97 2bet s TYR 40 N -2.93 3.07 -0.22 -0.53 5.04 -1.26 -4.93 117.35 115.59 2bet s TYR 40 Ca 0.28 1.17 -0.03 0.00 -2.44 0.00 0.00 57.07 56.05 2bet s TYR 40 Cb 0.02 -3.43 0.07 0.00 0.35 0.00 0.00 41.96 38.97 2bet s TYR 40 CO 0.11 -1.34 0.06 0.34 -1.34 0.00 0.00 175.55 173.38 2bet s ASP 41 N 1.64 3.10 0.65 4.32 -1.08 -1.26 -5.04 116.67 119.01 2bet s ASP 41 Ca 0.54 -0.99 0.42 0.00 -0.52 0.00 0.00 52.55 52.00 2bet s ASP 41 Cb -0.22 -0.56 2.31 0.00 -1.46 0.00 0.00 42.92 42.99 2bet s ASP 41 CO 0.17 -0.35 2.35 0.00 0.52 0.00 0.00 175.17 177.87 2bet h ALA 42 N 8.26 1.11 -0.16 3.66 0.00 -1.95 -2.23 119.26 127.95 2bet h ALA 42 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 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 0.37 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.37 2bet n ASP 43 N -3.24 2.93 -4.80 0.00 8.00 -1.26 -4.92 116.55 113.26 2bet n ASP 43 Ca -0.03 -1.89 -0.30 0.00 0.71 0.00 0.00 54.79 53.28 2bet n ASP 43 Cb 0.07 -0.09 0.08 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.57 4.74 -0.18 -2.24 1.47 -0.84 -5.03 116.67 113.03 2bet s ASP 44 Ca 0.28 1.47 -0.04 0.00 1.18 0.00 0.00 52.55 55.45 2bet s ASP 44 Cb 0.18 -2.25 -0.02 0.00 -0.34 0.00 0.00 42.92 40.49 2bet s ASP 44 CO 0.27 -1.83 -0.04 -1.81 0.68 0.00 0.00 175.17 172.43 2bet s ASP 45 N -3.79 4.61 0.29 2.11 1.01 -1.26 -4.70 116.67 114.95 2bet s ASP 45 Ca 0.60 -0.22 -0.01 0.00 0.71 0.00 0.00 52.55 53.63 2bet s ASP 45 Cb -0.15 -1.76 0.45 0.00 1.01 0.00 0.00 42.92 42.46 2bet s ASP 45 CO 0.55 0.11 1.88 0.10 0.21 0.00 0.00 175.17 178.01 2bet h TYR 46 N 7.17 0.87 -0.67 4.23 -0.00 -1.95 -3.34 116.97 123.27 2bet h TYR 46 Ca -0.33 -0.05 0.13 0.00 0.00 0.00 0.00 58.73 58.48 2bet h TYR 46 Cb 1.19 -0.27 -0.10 0.00 0.00 0.00 0.00 36.73 37.55 2bet h TYR 46 CO 0.55 0.67 0.16 -1.35 -0.00 0.00 0.00 178.16 178.20 2bet h PRO 47 N 0.85 0.27 -0.66 0.10 0.11 -1.96 -2.21 132.00 128.51 2bet h PRO 47 Ca 0.20 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 2bet h PRO 47 Cb 0.17 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2bet h PRO 47 CO -0.02 0.18 0.22 0.00 -0.21 0.00 0.00 178.00 178.17 2bet h ALA 48 N 1.54 1.14 -0.18 -0.75 0.00 -2.00 -1.22 119.26 117.79 2bet h ALA 48 Ca 0.37 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 2bet h ALA 48 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2bet h ALA 48 CO -0.45 0.60 -0.57 0.74 0.00 0.00 0.00 179.25 179.57 2bet h PHE 49 N 0.97 0.72 -0.09 0.00 -1.00 -1.63 -2.45 116.94 113.46 2bet h PHE 49 Ca 0.22 -0.26 -0.24 0.00 2.81 0.00 0.00 57.97 60.50 2bet h PHE 49 Cb 0.25 -0.13 0.01 0.00 3.61 0.00 0.00 35.95 39.69 2bet h PHE 49 CO 0.02 1.00 -0.88 0.00 -1.61 0.00 0.00 178.31 176.85 2bet h ILE 51 N 0.45 1.26 -0.34 0.00 2.04 -1.27 -1.39 117.51 118.26 2bet h ILE 51 Ca -0.08 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 2bet h ILE 51 Cb 1.51 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2bet h ILE 51 CO 0.17 0.40 -0.01 0.00 0.00 0.00 0.00 178.15 178.72 2bet h ALA 52 N 1.20 0.45 -0.40 1.87 0.00 -1.43 -0.31 119.26 120.64 2bet h ALA 52 Ca 0.11 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2bet h ALA 52 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bet h ALA 52 CO 0.04 0.22 -0.25 0.00 0.00 0.00 0.00 179.25 179.26 2bet h ALA 53 N 0.85 0.81 -0.05 0.00 0.00 -1.34 -2.44 119.26 117.08 2bet h ALA 53 Ca 0.09 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 2bet h ALA 53 Cb 0.46 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bet h ALA 53 CO 0.02 0.65 -0.89 0.00 0.00 0.00 0.00 179.25 179.03 2bet h ALA 54 N 1.01 0.33 -0.36 0.00 0.00 -1.22 -2.31 119.26 116.71 2bet h ALA 54 Ca 0.09 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 2bet h ALA 54 Cb 0.78 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2bet h ALA 54 CO 0.06 0.74 0.04 1.15 0.00 0.00 0.00 179.25 181.25 2bet h THR 55 N 0.36 1.24 0.00 0.00 2.02 -1.04 -2.41 112.91 113.09 2bet h THR 55 Ca -0.08 -0.88 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 2bet h THR 55 Cb 1.51 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 2bet h THR 55 CO 0.17 0.30 -0.46 0.03 0.37 0.00 0.00 175.52 175.92 2bet h ARG 56 N 0.44 0.00 -0.35 6.66 3.08 -1.48 -2.11 114.38 120.62 2bet h ARG 56 Ca 0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 2bet h ARG 56 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2bet h ARG 56 CO 0.01 0.46 -0.24 1.15 -1.07 0.00 0.00 179.97 180.28 2bet h THR 57 N 0.00 1.29 -0.27 2.04 2.02 -1.29 -2.71 112.91 113.98 2bet h THR 57 Ca -0.00 -1.39 -0.16 0.00 0.77 0.00 0.00 66.41 65.62 2bet h THR 57 Cb 0.82 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2bet h THR 57 CO 0.06 0.46 -0.48 0.58 0.37 0.00 0.00 175.52 176.51 2bet h VAL 58 N 0.56 1.29 0.00 3.16 2.07 -1.31 -3.00 116.25 119.02 2bet h VAL 58 Ca 0.07 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2bet h VAL 58 Cb 0.80 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2bet h VAL 58 CO 0.07 0.54 0.00 0.00 0.02 0.00 0.00 177.57 178.19 2bet n ALA 59 N -2.54 2.25 -3.50 1.67 0.00 -0.80 -4.05 120.51 113.55 2bet n ALA 59 Ca -0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 2bet n ALA 59 Cb 0.58 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.31 1.88 -4.70 0.00 2.03 -1.03 -5.07 116.55 108.36 2bet n ASP 60 Ca 0.11 -2.99 -0.43 0.00 0.52 0.00 0.00 54.79 52.00 2bet n ASP 60 Cb 0.21 -0.66 -0.01 0.00 -0.72 0.00 0.00 41.12 39.94 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 1.70 2.13 0.00 -0.67 -0.02 -1.26 -1.90 135.00 134.98 2bet n PRO 61 Ca 0.25 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2bet n PRO 61 Cb 0.43 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.90 3.37 3.85 -1.23 0.00 -1.26 -5.06 105.19 105.76 2bet n GLY 62 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.70 5.98 0.36 1.61 1.04 -0.80 -4.73 113.70 116.46 2bet s SER 63 Ca 0.00 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.94 2bet s SER 63 Cb 0.00 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2bet s SER 63 CO 0.00 -1.04 0.04 0.18 0.98 0.00 0.00 173.24 173.40 2bet n LEU 64 N -2.77 0.00 -3.52 2.42 4.77 -0.26 -4.92 117.00 112.73 2bet n LEU 64 Ca 0.07 -2.20 -0.17 0.00 -0.03 0.00 0.00 56.01 53.67 2bet n LEU 64 Cb 0.54 0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2bet n LEU 64 CO 0.56 -0.34 0.46 -0.83 -1.33 0.00 0.00 177.39 175.92 2bet s GLY 65 N -3.01 -0.56 -0.04 -0.72 0.00 0.68 -1.85 107.32 101.82 2bet s GLY 65 Ca 0.03 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.10 2bet s GLY 65 CO 0.02 0.94 -0.04 -0.42 0.00 0.00 0.00 173.10 173.60 2bet s ILE 66 N -1.27 0.47 -0.08 0.90 1.01 -0.54 -2.14 121.20 119.55 2bet s ILE 66 Ca -0.10 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 60.50 2bet s ILE 66 Cb -0.00 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 41.97 2bet s ILE 66 CO 0.09 0.20 -0.23 0.68 0.00 0.00 0.00 174.94 175.67 2bet s VAL 67 N 0.80 1.97 -0.04 2.92 -7.23 -0.56 -1.46 120.40 116.79 2bet s VAL 67 Ca -0.10 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.14 2bet s VAL 67 Cb -0.13 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 2bet s VAL 67 CO -0.00 0.54 -0.24 -0.76 -0.31 0.00 0.00 175.10 174.33 2bet s LEU 68 N 0.11 2.04 0.00 1.32 2.01 -0.24 -2.00 118.68 121.93 2bet s LEU 68 Ca -0.11 -0.46 0.00 0.00 0.01 0.00 0.00 54.13 53.57 2bet s LEU 68 Cb -0.16 -1.28 0.00 0.00 0.01 0.00 0.00 46.19 44.76 2bet s LEU 68 CO 0.06 0.27 0.00 0.61 1.01 0.00 0.00 176.35 178.29 2bet n GLY 69 N 2.73 4.59 0.25 -3.19 0.00 -1.02 -3.04 105.19 105.51 2bet n GLY 69 Ca -0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.58 0.00 -0.02 0.00 -1.85 -1.45 103.07 99.17 2bet h GLY 70 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2bet h GLY 70 CO 0.00 -0.21 -1.94 -1.14 0.00 0.00 0.00 176.54 173.25 2bet n SER 71 N -5.15 0.25 0.00 0.19 3.41 -1.26 -2.75 113.62 108.30 2bet n SER 71 Ca -0.08 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2bet n SER 71 Cb 0.26 1.94 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 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 1.32 1.71 0.09 5.00 0.00 -1.25 -2.98 105.19 109.08 2bet n GLY 72 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 0.24 -0.02 1.61 2.35 -1.94 -2.10 115.58 115.72 2bet h ASN 73 Ca 0.00 -0.95 0.01 0.00 -0.55 0.00 0.00 56.30 54.80 2bet h ASN 73 Cb 0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2bet h ASN 73 CO 0.00 1.18 0.02 1.23 -1.65 0.00 0.00 177.43 178.20 2bet h GLY 74 N -0.65 0.00 0.89 2.83 0.00 -2.00 -2.21 103.07 101.93 2bet h GLY 74 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.07 2bet h GLY 74 CO 0.08 0.00 -0.74 0.83 0.00 0.00 0.00 176.54 176.70 2bet h GLU 75 N 0.00 0.48 0.00 4.80 3.07 -1.93 -2.66 114.58 118.35 2bet h GLU 75 Ca 0.01 -0.54 -0.09 0.00 -0.50 0.00 0.00 59.36 58.24 2bet h GLU 75 Cb 0.04 0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2bet h GLU 75 CO -0.00 1.18 -0.45 -0.56 -1.40 0.00 0.00 179.01 177.78 2bet h GLN 76 N 0.01 0.00 -0.28 2.33 -0.00 -1.24 -2.13 115.11 113.81 2bet h GLN 76 Ca -0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.50 2bet h GLN 76 Cb 1.45 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.92 2bet h GLN 76 CO 0.15 0.45 -0.02 0.82 -0.00 0.00 0.00 178.83 180.22 2bet h ILE 77 N 0.00 1.27 -0.66 1.86 2.04 -1.41 -1.89 117.51 118.73 2bet h ILE 77 Ca -0.00 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 2bet h ILE 77 Cb 0.93 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 2bet h ILE 77 CO 0.06 0.31 0.20 0.00 0.00 0.00 0.00 178.15 178.73 2bet h ALA 78 N 0.81 0.86 -0.26 1.87 0.00 -1.36 -2.85 119.26 118.32 2bet h ALA 78 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2bet h ALA 78 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2bet h ALA 78 CO 0.02 0.54 -0.14 0.00 0.00 0.00 0.00 179.25 179.66 2bet h ALA 79 N 1.08 1.27 0.00 0.00 0.00 -1.34 -2.74 119.26 117.53 2bet h ALA 79 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bet h ALA 79 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bet h ALA 79 CO -0.01 0.48 0.00 0.09 0.00 0.00 0.00 179.25 179.82 2bet n ASN 80 N -4.20 0.53 0.13 0.00 3.02 -0.72 -2.38 115.26 111.65 2bet n ASN 80 Ca 0.00 0.59 0.13 0.00 -0.03 0.00 0.00 54.58 55.27 2bet n ASN 80 Cb 0.33 -0.72 0.39 0.00 -0.61 0.00 0.00 39.78 39.17 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 -6.44 3.52 1.79 -1.34 -3.45 116.57 110.64 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 0.50 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2bet h LYS 81 CO 0.00 0.00 0.57 0.08 -1.08 0.00 0.00 179.45 179.02 2bet s VAL 82 N -3.17 4.15 0.12 0.50 1.01 -1.00 -4.98 120.40 117.03 2bet s VAL 82 Ca 0.09 1.53 -0.33 0.00 0.00 0.00 0.00 61.98 63.27 2bet s VAL 82 Cb 0.11 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 2bet s VAL 82 CO 0.58 0.10 1.68 -2.65 0.00 0.00 0.00 175.10 174.81 2bet n PRO 83 N 4.16 2.31 0.00 2.72 -0.02 -1.26 -2.18 135.00 140.74 2bet n PRO 83 Ca 0.09 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2bet n PRO 83 Cb 0.47 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.76 2.36 3.83 -1.23 0.00 -1.26 -4.97 105.19 107.69 2bet n GLY 84 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.31 3.34 -0.20 4.61 0.00 -0.93 -4.97 121.76 121.30 2bet s ALA 85 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 2bet s ALA 85 Cb 0.00 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.39 2bet s ALA 85 CO 0.00 0.32 0.11 1.03 0.00 0.00 0.00 175.76 177.22 2bet s ARG 86 N -2.59 0.11 -0.28 0.00 0.52 -1.26 -4.81 118.95 110.64 2bet s ARG 86 Ca 0.50 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 2bet s ARG 86 Cb -0.13 -1.60 0.05 0.00 0.52 0.00 0.00 34.95 33.80 2bet s ARG 86 CO 0.19 -0.76 -0.06 0.00 0.02 0.00 0.00 175.30 174.68 2bet s ALA 88 N 1.18 3.24 -0.35 0.00 0.00 -1.03 -4.86 121.76 119.93 2bet s ALA 88 Ca -0.07 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 2bet s ALA 88 Cb -0.20 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 2bet s ALA 88 CO -0.03 -0.31 0.49 -1.17 0.00 0.00 0.00 175.76 174.73 2bet s LEU 89 N -4.45 4.38 -0.38 0.00 2.96 -1.26 -0.62 118.68 119.30 2bet s LEU 89 Ca 0.53 -0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 54.17 2bet s LEU 89 Cb -0.10 -2.54 0.01 0.00 0.50 0.00 0.00 46.19 44.06 2bet s LEU 89 CO 0.40 -0.46 0.49 0.00 -1.32 0.00 0.00 176.35 175.46 2bet s ALA 90 N 2.32 3.45 -0.24 5.97 0.00 -0.52 -4.87 121.76 127.87 2bet s ALA 90 Ca 0.17 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.95 2bet s ALA 90 Cb -0.16 -3.04 0.07 0.00 0.00 0.00 0.00 23.12 20.00 2bet s ALA 90 CO 0.13 -1.38 1.02 -2.67 0.00 0.00 0.00 175.76 172.86 2bet n TRP 91 N 5.73 0.11 -3.69 0.00 4.27 -1.26 -4.54 117.44 118.05 2bet n TRP 91 Ca -0.06 -0.46 -0.06 0.00 -3.89 0.00 0.00 57.50 53.03 2bet n TRP 91 Cb 0.48 -0.04 -0.02 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 -0.94 -0.28 0.32 -0.67 1.04 -1.26 -5.02 113.70 106.89 2bet s SER 92 Ca 0.06 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.17 2bet s SER 92 Cb 0.03 0.54 0.53 0.00 0.10 0.00 0.00 66.02 67.22 2bet s SER 92 CO 0.04 -0.96 1.91 0.58 0.98 0.00 0.00 173.24 175.79 2bet h VAL 93 N 2.00 1.20 -0.32 5.02 2.07 -1.91 -2.39 116.25 121.92 2bet h VAL 93 Ca -0.24 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 2bet h VAL 93 Cb 1.25 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2bet h VAL 93 CO 0.27 0.24 0.05 -0.61 0.02 0.00 0.00 177.57 177.54 2bet h GLN 94 N 0.77 0.52 0.00 1.57 4.15 -1.97 -2.61 115.11 117.54 2bet h GLN 94 Ca 0.19 -0.14 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 2bet h GLN 94 Cb 0.14 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2bet h GLN 94 CO -0.02 0.62 -0.59 1.79 -1.93 0.00 0.00 178.83 178.70 2bet h THR 95 N 0.35 1.11 -0.47 2.39 1.35 -1.92 -1.48 112.91 114.24 2bet h THR 95 Ca 0.10 -2.29 -0.11 0.00 -0.55 0.00 0.00 66.41 63.55 2bet h THR 95 Cb 0.35 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 2bet h THR 95 CO 0.01 0.58 -0.15 0.00 -0.25 0.00 0.00 175.52 175.70 2bet h ALA 96 N 1.41 0.66 -0.30 6.62 0.00 -1.44 -1.59 119.26 124.61 2bet h ALA 96 Ca -0.01 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 2bet h ALA 96 Cb 1.31 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2bet h ALA 96 CO 0.08 0.59 -0.36 0.00 0.00 0.00 0.00 179.25 179.56 2bet h ALA 97 N 0.87 0.44 0.00 0.00 0.00 -1.36 -3.10 119.26 116.11 2bet h ALA 97 Ca 0.11 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2bet h ALA 97 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2bet h ALA 97 CO 0.05 0.52 -0.29 -0.07 0.00 0.00 0.00 179.25 179.46 2bet h LEU 98 N 0.52 0.00 -0.89 0.00 3.38 -1.28 -1.41 115.31 115.63 2bet h LEU 98 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2bet h LEU 98 Cb 0.95 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 2bet h LEU 98 CO 0.09 0.29 0.31 0.00 0.09 0.00 0.00 178.44 179.22 2bet h ALA 99 N 1.71 1.12 0.04 1.53 0.00 -1.21 -0.67 119.26 121.78 2bet h ALA 99 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2bet h ALA 99 Cb 0.73 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bet h ALA 99 CO 0.04 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 2bet h ARG 100 N 1.09 -0.05 -0.19 0.00 2.47 -1.49 -0.78 114.38 115.44 2bet h ARG 100 Ca 0.25 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.99 2bet h ARG 100 Cb 0.19 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2bet h ARG 100 CO -0.02 0.62 0.09 0.93 0.56 0.00 0.00 179.97 182.15 2bet h GLU 101 N -0.88 0.19 0.01 0.04 5.08 -1.24 -2.72 114.58 115.06 2bet h GLU 101 Ca -0.01 -0.01 -0.40 0.00 -1.00 0.00 0.00 59.36 57.94 2bet h GLU 101 Cb 0.69 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 2bet h GLU 101 CO 0.01 0.13 -2.31 0.72 -1.00 0.00 0.00 179.01 176.56 2bet n HIS 102 N -5.01 0.26 1.04 4.33 8.25 -0.26 -3.13 115.22 120.69 2bet n HIS 102 Ca -0.03 0.09 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 2bet n HIS 102 Cb 0.05 -1.03 0.11 0.00 1.12 0.00 0.00 29.99 30.25 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 -3.89 0.94 -3.80 0.41 5.03 -1.09 -4.79 115.26 108.06 2bet n ASN 103 Ca -0.47 -0.76 -0.30 0.00 0.87 0.00 0.00 54.58 53.93 2bet n ASN 103 Cb 0.91 0.51 0.00 0.00 -1.02 0.00 0.00 39.78 40.18 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 -1.18 -4.11 -4.68 6.41 5.15 -0.84 -4.88 115.26 111.13 2bet n ASN 104 Ca 0.07 -0.71 -0.42 0.00 -0.60 0.00 0.00 54.58 52.92 2bet n ASN 104 Cb 0.35 -3.33 -0.03 0.00 -0.53 0.00 0.00 39.78 36.24 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 -3.17 3.63 -0.42 5.20 0.00 -0.36 -4.88 121.76 121.77 2bet s ALA 105 Ca 0.60 1.03 0.23 0.00 0.00 0.00 0.00 51.96 53.81 2bet s ALA 105 Cb -0.31 -3.66 0.30 0.00 0.00 0.00 0.00 23.12 19.45 2bet s ALA 105 CO 0.74 -1.08 1.55 1.96 0.00 0.00 0.00 175.76 178.93 2bet h GLN 106 N 8.32 0.00 -5.29 0.00 7.50 -1.84 -3.43 115.11 120.37 2bet h GLN 106 Ca -0.40 0.00 -0.39 0.00 0.50 0.00 0.00 58.65 58.36 2bet h GLN 106 Cb 1.19 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.53 2bet h GLN 106 CO 0.92 0.00 -0.75 -0.51 -1.50 0.00 0.00 178.83 176.99 2bet s LEU 107 N -6.12 2.39 0.06 1.46 1.02 -1.12 -0.23 118.68 116.15 2bet s LEU 107 Ca 0.06 -0.80 0.03 0.00 0.02 0.00 0.00 54.13 53.45 2bet s LEU 107 Cb 0.05 -0.48 -0.03 0.00 0.02 0.00 0.00 46.19 45.75 2bet s LEU 107 CO 0.68 -0.17 -0.10 0.27 0.02 0.00 0.00 176.35 177.05 2bet s ILE 108 N -2.15 0.82 -0.07 -0.59 -4.36 -0.91 -2.48 121.20 111.46 2bet s ILE 108 Ca 0.07 -1.28 -0.05 0.00 -0.26 0.00 0.00 60.65 59.13 2bet s ILE 108 Cb -0.05 -0.93 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 2bet s ILE 108 CO 0.02 -0.37 0.16 -0.83 0.24 0.00 0.00 174.94 174.16 2bet s GLY 109 N -1.82 2.17 -0.01 6.27 0.00 0.20 -1.50 107.32 112.63 2bet s GLY 109 Ca -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.01 2bet s GLY 109 CO 0.01 -0.51 -0.08 -0.42 0.00 0.00 0.00 173.10 172.10 2bet s ILE 110 N -1.16 0.67 -0.29 0.90 1.01 -0.85 -1.44 121.20 120.04 2bet s ILE 110 Ca 0.21 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 2bet s ILE 110 Cb -0.12 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 2bet s ILE 110 CO 0.11 0.20 0.54 -0.83 0.00 0.00 0.00 174.94 174.95 2bet s GLY 111 N -0.07 1.82 0.40 6.18 0.00 -1.16 -2.43 107.32 112.07 2bet s GLY 111 Ca 0.01 -0.70 0.17 0.00 0.00 0.00 0.00 44.72 44.21 2bet s GLY 111 CO -0.00 1.29 1.85 -1.33 0.00 0.00 0.00 173.10 174.91 2bet h GLY 112 N 8.93 0.00 1.45 0.20 0.00 -1.23 -2.94 103.07 109.49 2bet h GLY 112 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2bet h GLY 112 CO 0.75 0.00 -0.02 0.54 0.00 0.00 0.00 176.54 177.80 2bet n ARG 113 N -3.85 0.47 -0.03 4.80 1.74 -1.11 -3.80 116.66 114.88 2bet n ARG 113 Ca -0.01 -0.04 0.03 0.00 -0.77 0.00 0.00 57.85 57.06 2bet n ARG 113 Cb 0.40 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.23 0.67 -4.33 5.56 2.81 -1.11 -5.01 117.12 114.47 2bet n MET 114 Ca 0.14 -0.10 -0.20 0.00 -1.81 0.00 0.00 57.70 55.74 2bet n MET 114 Cb 0.25 -1.55 -0.11 0.00 -0.71 0.00 0.00 33.22 31.11 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 -3.13 1.73 0.84 2.03 3.76 -1.24 -5.11 115.29 114.17 2bet s HIS 115 Ca -0.08 -0.53 -0.12 0.00 -0.15 0.00 0.00 55.06 54.18 2bet s HIS 115 Cb 0.11 -0.83 0.10 0.00 1.11 0.00 0.00 32.58 33.06 2bet s HIS 115 CO 0.87 0.34 1.12 0.95 -0.85 0.00 0.00 174.74 177.17 2bet s THR 116 N -2.57 2.54 0.19 1.30 -4.23 -1.26 -4.89 115.64 106.72 2bet s THR 116 Ca 0.19 0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2bet s THR 116 Cb -0.03 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.96 2bet s THR 116 CO 0.07 -0.23 1.78 0.58 -0.54 0.00 0.00 174.62 176.27 2bet h VAL 117 N -1.23 1.23 -0.73 2.29 2.07 -1.99 -2.01 116.25 115.87 2bet h VAL 117 Ca -0.48 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 2bet h VAL 117 Cb 1.30 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2bet h VAL 117 CO 0.61 0.27 0.35 0.00 0.02 0.00 0.00 177.57 178.82 2bet h ALA 118 N 1.15 0.94 -0.33 1.67 0.00 -1.99 -1.98 119.26 118.73 2bet h ALA 118 Ca 0.23 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2bet h ALA 118 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2bet h ALA 118 CO -0.03 0.51 -0.15 0.93 0.00 0.00 0.00 179.25 180.51 2bet h GLU 119 N 1.02 0.58 -0.08 0.00 5.08 -1.89 -2.55 114.58 116.73 2bet h GLU 119 Ca 0.25 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 2bet h GLU 119 Cb 0.12 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2bet h GLU 119 CO -0.03 0.71 -0.75 0.00 -1.00 0.00 0.00 179.01 177.94 2bet h ALA 120 N 1.32 0.54 0.00 3.43 0.00 -1.05 -2.50 119.26 121.00 2bet h ALA 120 Ca 0.09 -0.61 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 2bet h ALA 120 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2bet h ALA 120 CO 0.04 0.76 -0.34 -0.07 0.00 0.00 0.00 179.25 179.63 2bet h LEU 121 N 0.30 0.00 -0.41 0.00 3.38 -1.34 -2.31 115.31 114.93 2bet h LEU 121 Ca -0.04 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 2bet h LEU 121 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 2bet h LEU 121 CO 0.13 0.34 -0.68 0.00 0.09 0.00 0.00 178.44 178.33 2bet h ALA 122 N 1.66 0.59 -0.67 1.53 0.00 -1.35 -1.89 119.26 119.13 2bet h ALA 122 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2bet h ALA 122 Cb 1.04 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2bet h ALA 122 CO 0.04 0.73 0.20 0.82 0.00 0.00 0.00 179.25 181.04 2bet h ILE 123 N 0.36 1.25 -0.50 0.00 2.04 -1.29 -2.52 117.51 116.85 2bet h ILE 123 Ca -0.02 -0.89 -0.12 0.00 1.00 0.00 0.00 64.86 64.83 2bet h ILE 123 Cb 1.25 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2bet h ILE 123 CO 0.12 0.34 -0.17 0.58 0.00 0.00 0.00 178.15 179.02 2bet h VAL 124 N 0.99 1.27 -0.46 1.67 2.07 -1.34 -2.22 116.25 118.22 2bet h VAL 124 Ca 0.22 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 2bet h VAL 124 Cb 0.31 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2bet h VAL 124 CO -0.01 0.46 0.18 0.44 0.02 0.00 0.00 177.57 178.67 2bet h ASP 125 N 0.86 0.64 -0.88 0.57 3.32 -1.28 -2.13 116.42 117.52 2bet h ASP 125 Ca 0.12 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2bet h ASP 125 Cb 0.74 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 2bet h ASP 125 CO 0.06 0.64 0.53 0.00 -1.72 0.00 0.00 179.24 178.75 2bet h ALA 126 N 1.03 1.27 -0.17 3.45 0.00 -1.36 -2.74 119.26 120.75 2bet h ALA 126 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2bet h ALA 126 Cb 0.20 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2bet h ALA 126 CO -0.01 0.62 -0.11 0.35 0.00 0.00 0.00 179.25 180.11 2bet h PHE 127 N 1.22 0.43 -0.00 0.00 3.57 -1.07 -2.49 116.94 118.60 2bet h PHE 127 Ca 0.32 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2bet h PHE 127 Cb -0.05 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2bet h PHE 127 CO 0.00 0.70 -0.14 1.33 -2.23 0.00 0.00 178.31 177.98 2bet n VAL 128 N -4.58 0.00 -0.02 1.41 0.24 -0.83 -3.91 118.33 110.64 2bet n VAL 128 Ca -0.06 -0.02 0.02 0.00 -2.04 0.00 0.00 64.34 62.25 2bet n VAL 128 Cb 0.33 -0.21 -0.08 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.29 0.19 -2.59 3.34 -2.24 -1.04 -4.93 114.28 105.72 2bet n THR 129 Ca 0.10 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 2bet n THR 129 Cb 0.31 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.59 4.56 0.53 4.28 2.01 -0.94 -5.02 115.64 118.47 2bet s THR 130 Ca -0.04 1.87 -0.16 0.00 0.31 0.00 0.00 61.69 63.67 2bet s THR 130 Cb 0.06 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 2bet s THR 130 CO 0.43 -0.12 1.00 -2.16 -0.69 0.00 0.00 174.62 173.08 2bet s PRO 131 N 2.95 3.86 -0.02 4.92 0.04 -1.26 -4.73 135.00 140.76 2bet s PRO 131 Ca 0.49 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2bet s PRO 131 Cb -0.18 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2bet s PRO 131 CO 0.12 -0.35 1.25 -0.46 0.04 0.00 0.00 177.00 177.60 2bet s TRP 132 N -2.61 3.15 0.27 0.56 -0.00 -1.26 -3.76 118.94 115.28 2bet s TRP 132 Ca 0.59 1.13 0.11 0.00 -0.00 0.00 0.00 56.10 57.94 2bet s TRP 132 Cb -0.11 -3.48 0.40 0.00 -0.00 0.00 0.00 33.47 30.28 2bet s TRP 132 CO 0.32 -1.58 1.63 0.66 -0.00 0.00 0.00 176.95 177.98 2bet h SER 133 N 7.43 0.00 -0.43 5.86 4.64 -1.74 -3.47 113.55 125.84 2bet h SER 133 Ca -0.36 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.77 2bet h SER 133 Cb 1.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 2bet h SER 133 CO 0.87 0.58 -0.17 0.29 -0.87 0.00 0.00 176.83 177.54 2bet n LYS 134 N -3.79 -1.12 -2.01 4.77 5.02 -1.26 -4.98 118.16 114.79 2bet n LYS 134 Ca -0.01 0.76 -0.36 0.00 -2.02 0.00 0.00 58.31 56.67 2bet n LYS 134 Cb 0.60 -4.83 0.03 0.00 -0.02 0.00 0.00 35.03 30.81 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 -2.09 2.58 0.22 7.82 0.00 -1.26 -4.85 121.76 124.19 2bet s ALA 135 Ca 0.00 1.03 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 2bet s ALA 135 Cb 0.00 -3.46 0.21 0.00 0.00 0.00 0.00 23.12 19.87 2bet s ALA 135 CO 0.00 -1.16 1.74 0.37 0.00 0.00 0.00 175.76 176.71 2bet h GLN 136 N 0.98 1.01 -0.12 0.00 4.15 -1.99 -2.31 115.11 116.83 2bet h GLN 136 Ca -0.50 -0.25 -0.15 0.00 0.77 0.00 0.00 58.65 58.52 2bet h GLN 136 Cb 1.30 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2bet h GLN 136 CO 0.55 0.92 -0.56 0.07 -1.93 0.00 0.00 178.83 177.89 2bet h ARG 137 N 0.95 0.36 -0.31 1.69 0.11 -1.99 -1.44 114.38 113.75 2bet h ARG 137 Ca 0.19 -0.23 -0.12 0.00 0.10 0.00 0.00 59.98 59.93 2bet h ARG 137 Cb 0.40 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2bet h ARG 137 CO 0.01 0.83 -0.26 0.45 0.10 0.00 0.00 179.97 181.10 2bet h HIS 138 N 0.28 0.86 -0.22 4.08 3.86 -1.79 -2.29 115.15 119.93 2bet h HIS 138 Ca 0.00 -0.25 -0.11 0.00 -1.16 0.00 0.00 60.37 58.85 2bet h HIS 138 Cb 1.07 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 2bet h HIS 138 CO 0.03 0.99 -0.35 0.37 0.86 0.00 0.00 177.93 179.83 2bet h GLN 139 N 0.49 0.47 -0.50 2.45 5.75 -1.38 -2.15 115.11 120.24 2bet h GLN 139 Ca 0.06 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 2bet h GLN 139 Cb 0.82 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 2bet h GLN 139 CO 0.07 0.76 0.18 -0.09 -2.65 0.00 0.00 178.83 177.09 2bet h ARG 140 N 0.40 0.76 -0.11 1.69 2.43 -1.19 -0.79 114.38 117.57 2bet h ARG 140 Ca 0.04 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 2bet h ARG 140 Cb 0.80 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2bet h ARG 140 CO 0.06 0.69 -0.48 0.00 -1.51 0.00 0.00 179.97 178.74 2bet h ARG 141 N 0.67 0.28 -0.22 0.20 3.08 -1.34 -1.61 114.38 115.43 2bet h ARG 141 Ca 0.16 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2bet h ARG 141 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2bet h ARG 141 CO -0.01 0.70 -0.35 0.82 -1.07 0.00 0.00 179.97 180.07 2bet h ILE 142 N 0.22 1.29 -0.07 2.04 2.04 -1.21 -2.76 117.51 119.06 2bet h ILE 142 Ca 0.01 -1.45 -0.16 0.00 1.00 0.00 0.00 64.86 64.27 2bet h ILE 142 Cb 0.93 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2bet h ILE 142 CO 0.08 0.45 -0.64 0.44 0.00 0.00 0.00 178.15 178.48 2bet h ASP 143 N 0.41 0.33 -0.37 1.72 5.19 -0.76 -1.52 116.42 121.42 2bet h ASP 143 Ca 0.05 -0.20 -0.09 0.00 -0.62 0.00 0.00 57.03 56.17 2bet h ASP 143 Cb 0.80 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2bet h ASP 143 CO 0.06 0.88 -0.14 0.40 -3.12 0.00 0.00 179.24 177.33 2bet h ILE 144 N 0.21 1.28 -0.26 0.35 2.04 -1.25 -2.24 117.51 117.63 2bet h ILE 144 Ca -0.01 -1.24 -0.17 0.00 1.00 0.00 0.00 64.86 64.44 2bet h ILE 144 Cb 1.17 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2bet h ILE 144 CO 0.10 0.41 -0.51 0.25 0.00 0.00 0.00 178.15 178.40 2bet h LEU 145 N 0.53 0.80 -1.15 1.44 5.85 -1.46 -2.47 115.31 118.85 2bet h LEU 145 Ca 0.09 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 2bet h LEU 145 Cb 0.67 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2bet h LEU 145 CO 0.05 1.16 0.10 0.00 -0.34 0.00 0.00 178.44 179.41 2bet h ALA 146 N 0.86 1.32 -0.15 1.25 0.00 -1.26 -0.71 119.26 120.56 2bet h ALA 146 Ca 0.02 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2bet h ALA 146 Cb 1.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2bet h ALA 146 CO 0.11 0.48 -0.53 1.49 0.00 0.00 0.00 179.25 180.80 2bet h GLU 147 N 0.67 0.44 -0.35 0.00 4.57 -1.28 -2.16 114.58 116.48 2bet h GLU 147 Ca 0.15 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 57.95 2bet h GLU 147 Cb 0.27 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2bet h GLU 147 CO -0.00 0.87 -0.24 -0.92 -1.18 0.00 0.00 179.01 177.53 2bet h TYR 148 N 0.34 0.78 0.00 0.92 5.03 -0.99 -2.80 116.97 120.25 2bet h TYR 148 Ca 0.01 -0.18 -0.05 0.00 2.58 0.00 0.00 58.73 61.09 2bet h TYR 148 Cb 1.05 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.13 2bet h TYR 148 CO 0.04 0.87 -0.23 1.49 -1.32 0.00 0.00 178.16 179.00 2bet h GLU 149 N 0.60 0.00 0.02 1.82 4.81 -0.88 0.17 114.58 121.13 2bet h GLU 149 Ca 0.08 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 2bet h GLU 149 Cb 0.73 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.12 2bet h GLU 149 CO 0.06 0.23 -0.69 -0.09 -0.73 0.00 0.00 179.01 177.78 2bet h ARG 150 N 0.00 0.43 0.00 1.92 2.43 -1.19 -3.40 114.38 114.58 2bet h ARG 150 Ca -0.00 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2bet h ARG 150 Cb 0.43 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2bet h ARG 150 CO 0.03 1.15 -1.36 0.25 -1.51 0.00 0.00 179.97 178.53 2bet n THR 151 N -4.16 0.00 -2.01 0.20 -2.24 -1.08 -5.01 114.28 99.99 2bet n THR 151 Ca -0.11 -0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.25 2bet n THR 151 Cb 0.72 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.78 -0.51 -3.40 4.78 8.25 0.60 -4.98 115.22 118.18 2bet n HIS 152 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2bet n HIS 152 Cb 0.23 -3.74 -0.09 0.00 1.12 0.00 0.00 29.99 27.51 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 -4.42 3.01 0.16 -0.41 2.02 -1.26 -5.04 118.70 112.75 2bet s GLU 153 Ca 0.00 -1.00 -0.31 0.00 0.02 0.00 0.00 54.97 53.67 2bet s GLU 153 Cb 0.00 -4.01 -0.11 0.00 0.10 0.00 0.00 34.13 30.11 2bet s GLU 153 CO 0.00 -0.85 1.75 0.00 0.02 0.00 0.00 175.26 176.18 2bet s ALA 154 N 1.84 3.83 0.36 5.21 0.00 -1.26 -4.74 121.76 126.99 2bet s ALA 154 Ca 0.07 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.24 2bet s ALA 154 Cb -0.19 -3.72 -0.09 0.00 0.00 0.00 0.00 23.12 19.12 2bet s ALA 154 CO 0.10 -1.05 1.14 -1.25 0.00 0.00 0.00 175.76 174.71 2bet s PRO 155 N 1.95 4.28 0.34 0.00 0.04 -1.26 -4.99 135.00 135.36 2bet s PRO 155 Ca 0.77 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 63.35 2bet s PRO 155 Cb -0.47 -2.85 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2bet s PRO 155 CO 0.34 -0.11 1.17 -1.25 0.04 0.00 0.00 177.00 177.19 2bet s PRO 156 N -2.02 4.33 0.67 0.56 0.04 -1.26 -5.03 135.00 132.28 2bet s PRO 156 Ca 0.52 1.90 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 2bet s PRO 156 Cb -0.31 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2bet s PRO 156 CO 0.39 -0.10 1.11 0.14 0.04 0.00 0.00 177.00 178.58 2bet s VAL 157 N -1.28 3.19 -1.77 -0.36 -7.23 -1.26 -5.31 120.40 106.38 2bet s VAL 157 Ca 0.51 0.55 0.00 0.00 -1.81 0.00 0.00 61.98 61.23 2bet s VAL 157 Cb -0.33 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.54 2bet s VAL 157 CO 0.42 -0.35 0.44 -2.65 -0.31 0.00 0.00 175.10 172.66