#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 3.31 0.03 1.61 1.00 -1.26 -4.92 119.30 119.07 2bet s MET 4 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 55.69 55.17 2bet s MET 4 Cb 0.00 -3.05 -0.06 0.00 0.00 0.00 0.00 34.83 31.73 2bet s MET 4 CO 0.00 0.71 0.68 0.50 0.00 0.00 0.00 175.02 176.91 2bet s ARG 5 N -1.46 4.40 -0.11 2.03 3.52 -1.26 -1.66 118.95 124.41 2bet s ARG 5 Ca 0.20 0.91 -0.02 0.00 -0.13 0.00 0.00 55.73 56.69 2bet s ARG 5 Cb -0.12 -3.34 0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2bet s ARG 5 CO 0.11 0.36 0.02 0.08 -0.81 0.00 0.00 175.30 175.06 2bet s VAL 6 N -0.25 0.34 -0.07 7.11 1.01 -0.95 -0.76 120.40 126.82 2bet s VAL 6 Ca 0.34 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 2bet s VAL 6 Cb -0.20 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2bet s VAL 6 CO 0.20 0.10 0.67 -0.31 0.00 0.00 0.00 175.10 175.77 2bet s TYR 7 N 1.97 3.57 -0.08 5.22 1.51 -0.57 -1.15 117.35 127.83 2bet s TYR 7 Ca 0.03 1.20 0.05 0.00 -1.01 0.00 0.00 57.07 57.34 2bet s TYR 7 Cb -0.14 -2.77 -0.01 0.00 -0.11 0.00 0.00 41.96 38.93 2bet s TYR 7 CO -0.06 0.09 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.73 2bet s LEU 8 N 0.79 2.16 0.11 -1.29 1.02 -0.54 -1.27 118.68 119.67 2bet s LEU 8 Ca 0.36 -0.50 0.07 0.00 0.02 0.00 0.00 54.13 54.08 2bet s LEU 8 Cb -0.17 -1.41 -0.04 0.00 0.02 0.00 0.00 46.19 44.59 2bet s LEU 8 CO 0.17 0.22 -0.17 -0.83 0.02 0.00 0.00 176.35 175.76 2bet s GLY 9 N -0.00 1.13 -0.22 -3.19 0.00 -0.58 -1.45 107.32 103.00 2bet s GLY 9 Ca -0.08 -1.26 -0.27 0.00 0.00 0.00 0.00 44.72 43.11 2bet s GLY 9 CO 0.05 -1.29 1.01 0.00 0.00 0.00 0.00 173.10 172.87 2bet s ALA 10 N -1.70 -1.95 0.48 3.20 0.00 -0.63 -0.77 121.76 120.39 2bet s ALA 10 Ca 0.07 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2bet s ALA 10 Cb -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2bet s ALA 10 CO 0.04 -0.27 0.00 -0.40 0.00 0.00 0.00 175.76 175.13 2bet n ASP 11 N 1.55 0.00 -0.32 0.00 5.75 -1.16 -1.19 116.55 121.17 2bet n ASP 11 Ca -0.12 -0.95 0.06 0.00 -0.01 0.00 0.00 54.79 53.78 2bet n ASP 11 Cb 0.57 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.91 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 -0.46 1.05 0.00 2.11 2.07 -1.84 -0.80 115.15 117.29 2bet h HIS 12 Ca 0.00 0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 57.49 2bet h HIS 12 Cb 0.00 -0.34 -0.01 0.00 2.57 0.00 0.00 27.41 29.63 2bet h HIS 12 CO 0.00 0.48 -0.30 0.00 -3.07 0.00 0.00 177.93 175.04 2bet h ALA 13 N 1.53 1.23 -0.27 6.11 0.00 -1.90 -2.98 119.26 122.97 2bet h ALA 13 Ca 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2bet h ALA 13 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2bet h ALA 13 CO -0.20 0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.84 2bet n GLY 14 N -0.29 2.95 0.06 0.00 0.00 -1.02 -4.45 105.19 102.43 2bet n GLY 14 Ca -0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 1.62 -0.02 -0.61 1.61 3.20 -0.99 -2.00 116.97 119.79 2bet h TYR 15 Ca 0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2bet h TYR 15 Cb 0.75 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2bet h TYR 15 CO 0.21 0.22 0.03 0.93 -1.64 0.00 0.00 178.16 177.91 2bet h GLU 16 N -0.27 1.04 -0.34 1.82 4.39 -1.86 -2.46 114.58 116.90 2bet h GLU 16 Ca -0.00 -0.31 -0.09 0.00 0.34 0.00 0.00 59.36 59.30 2bet h GLU 16 Cb 0.26 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2bet h GLU 16 CO 0.00 1.00 -0.16 1.25 -1.16 0.00 0.00 179.01 179.95 2bet h LEU 17 N 0.96 0.61 -1.17 1.33 5.85 -1.89 -2.90 115.31 118.10 2bet h LEU 17 Ca 0.18 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2bet h LEU 17 Cb 0.52 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2bet h LEU 17 CO 0.02 0.79 0.12 0.50 -0.34 0.00 0.00 178.44 179.53 2bet h LYS 18 N 0.56 0.69 -0.22 1.25 3.64 -0.92 -1.48 116.57 120.09 2bet h LYS 18 Ca 0.09 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 2bet h LYS 18 Cb 0.59 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2bet h LYS 18 CO 0.04 0.63 -0.42 1.96 -2.27 0.00 0.00 179.45 179.39 2bet h GLN 19 N 0.68 0.52 -0.08 1.90 1.08 -1.28 -1.57 115.11 116.36 2bet h GLN 19 Ca 0.15 -0.27 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 2bet h GLN 19 Cb 0.25 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2bet h GLN 19 CO -0.00 0.85 -0.48 0.00 -0.95 0.00 0.00 178.83 178.24 2bet h ARG 20 N 0.43 0.21 0.04 1.46 3.08 -1.28 -2.74 114.38 115.59 2bet h ARG 20 Ca 0.04 -0.12 -0.27 0.00 0.07 0.00 0.00 59.98 59.70 2bet h ARG 20 Cb 0.91 0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.98 2bet h ARG 20 CO 0.08 0.65 -1.09 0.82 -1.07 0.00 0.00 179.97 179.36 2bet h ILE 21 N 0.17 1.32 -0.46 2.04 2.04 -1.07 -1.58 117.51 119.98 2bet h ILE 21 Ca 0.01 -2.41 0.01 0.00 1.00 0.00 0.00 64.86 63.47 2bet h ILE 21 Cb 0.92 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 2bet h ILE 21 CO 0.07 0.73 0.30 0.40 0.00 0.00 0.00 178.15 179.65 2bet h ILE 22 N 0.30 1.11 -0.52 -0.67 2.04 -1.31 0.02 117.51 118.47 2bet h ILE 22 Ca -0.14 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2bet h ILE 22 Cb 1.75 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2bet h ILE 22 CO 0.20 0.11 0.03 -0.08 0.00 0.00 0.00 178.15 178.42 2bet h GLU 23 N 0.61 0.86 -0.18 2.37 4.81 -1.49 -2.56 114.58 118.99 2bet h GLU 23 Ca 0.17 -0.22 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 2bet h GLU 23 Cb -0.06 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 2bet h GLU 23 CO -0.04 0.84 -0.58 1.25 -0.73 0.00 0.00 179.01 179.75 2bet h HIS 24 N 0.80 0.73 -0.11 0.92 2.76 -0.92 -2.96 115.15 116.38 2bet h HIS 24 Ca 0.16 -0.27 -0.15 0.00 -2.20 0.00 0.00 60.37 57.91 2bet h HIS 24 Cb 0.43 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2bet h HIS 24 CO 0.02 1.02 -0.58 -0.07 -1.30 0.00 0.00 177.93 177.02 2bet h LEU 25 N 0.44 0.40 -0.48 0.26 3.38 -0.89 -2.66 115.31 115.75 2bet h LEU 25 Ca 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2bet h LEU 25 Cb 1.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2bet h LEU 25 CO 0.11 0.89 0.13 0.11 0.09 0.00 0.00 178.44 179.77 2bet h LYS 26 N 0.27 0.76 0.00 1.13 1.57 -1.44 -0.14 116.57 118.72 2bet h LYS 26 Ca -0.00 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2bet h LYS 26 Cb 1.10 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2bet h LYS 26 CO 0.10 0.73 0.00 1.04 -0.57 0.00 0.00 179.45 180.75 2bet n GLN 27 N -4.49 0.10 -0.31 3.15 6.02 -1.12 -2.86 117.38 117.86 2bet n GLN 27 Ca 0.01 0.20 0.08 0.00 -0.01 0.00 0.00 57.00 57.28 2bet n GLN 27 Cb 0.21 -1.65 0.24 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.83 1.24 -0.41 5.09 -2.24 -1.01 -4.98 114.28 110.14 2bet n THR 28 Ca 0.05 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 2bet n THR 28 Cb 0.30 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.79 0.79 4.02 3.38 0.00 -1.14 -4.99 105.19 108.05 2bet n GLY 29 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.04 2.23 -0.52 1.61 3.76 -0.08 -4.45 115.29 115.80 2bet s HIS 30 Ca 0.00 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 2bet s HIS 30 Cb 0.00 -2.32 0.14 0.00 1.11 0.00 0.00 32.58 31.51 2bet s HIS 30 CO 0.00 -0.73 0.29 -2.00 -0.85 0.00 0.00 174.74 171.45 2bet s GLU 31 N -4.49 1.81 0.24 1.40 2.12 -0.66 -4.16 118.70 114.95 2bet s GLU 31 Ca 0.58 -2.54 -0.30 0.00 0.36 0.00 0.00 54.97 53.07 2bet s GLU 31 Cb -0.08 -2.97 -0.09 0.00 0.26 0.00 0.00 34.13 31.25 2bet s GLU 31 CO 0.36 -1.16 1.03 -1.25 -0.54 0.00 0.00 175.26 173.69 2bet s PRO 32 N -0.28 4.73 -0.10 4.30 0.04 -1.26 -2.23 135.00 140.20 2bet s PRO 32 Ca 0.19 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.90 2bet s PRO 32 Cb -0.21 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.09 2bet s PRO 32 CO -0.03 0.32 -0.16 0.42 0.04 0.00 0.00 177.00 177.58 2bet s ILE 33 N -0.97 1.52 -0.35 0.56 1.01 -0.30 -4.95 121.20 117.73 2bet s ILE 33 Ca 0.44 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 2bet s ILE 33 Cb -0.29 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 2bet s ILE 33 CO 0.36 0.44 0.48 -0.62 0.00 0.00 0.00 174.94 175.60 2bet s ASP 34 N 0.78 6.28 0.00 3.58 3.68 -1.26 -1.46 116.67 128.27 2bet s ASP 34 Ca -0.11 -0.09 0.27 0.00 2.13 0.00 0.00 52.55 54.76 2bet s ASP 34 Cb -0.16 -2.25 0.97 0.00 -1.45 0.00 0.00 42.92 40.03 2bet s ASP 34 CO 0.02 -0.45 1.70 0.00 0.13 0.00 0.00 175.17 176.56 2bet n GLY 36 N 1.19 2.39 3.77 0.00 0.00 -1.26 -4.89 105.19 106.40 2bet n GLY 36 Ca 0.18 -1.97 -0.38 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 -2.71 3.23 -0.50 4.61 0.00 -0.34 -1.60 121.76 124.45 2bet s ALA 37 Ca 0.00 0.63 0.24 0.00 0.00 0.00 0.00 51.96 52.82 2bet s ALA 37 Cb 0.00 -3.23 0.31 0.00 0.00 0.00 0.00 23.12 20.21 2bet s ALA 37 CO 0.00 0.05 1.36 -0.07 0.00 0.00 0.00 175.76 177.10 2bet h LEU 38 N 3.26 0.00 -8.32 0.00 3.38 -1.91 -3.47 115.31 108.25 2bet h LEU 38 Ca -0.47 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.26 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 0.65 0.04 -0.58 0.00 0.09 0.00 0.00 178.44 178.64 2bet s ARG 39 N -3.22 0.93 -0.01 1.13 1.70 -1.26 -5.13 118.95 113.09 2bet s ARG 39 Ca 0.05 -1.35 -0.30 0.00 -0.47 0.00 0.00 55.73 53.66 2bet s ARG 39 Cb 0.11 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 2bet s ARG 39 CO 0.71 -0.27 1.28 -0.47 -1.08 0.00 0.00 175.30 175.47 2bet s TYR 40 N -4.01 3.11 -0.21 5.89 5.04 -1.26 -4.94 117.35 120.97 2bet s TYR 40 Ca 0.20 1.07 -0.04 0.00 -2.44 0.00 0.00 57.07 55.86 2bet s TYR 40 Cb 0.07 -3.52 0.09 0.00 0.35 0.00 0.00 41.96 38.94 2bet s TYR 40 CO -0.00 -1.78 0.19 0.34 -1.34 0.00 0.00 175.55 172.95 2bet s ASP 41 N 1.53 1.82 0.61 4.32 -1.08 -1.26 -5.05 116.67 117.56 2bet s ASP 41 Ca 0.60 -0.45 0.33 0.00 -0.52 0.00 0.00 52.55 52.50 2bet s ASP 41 Cb -0.29 0.18 1.90 0.00 -1.46 0.00 0.00 42.92 43.25 2bet s ASP 41 CO 0.25 -0.35 2.22 0.00 0.52 0.00 0.00 175.17 177.82 2bet h ALA 42 N 8.34 1.49 -0.03 3.66 0.00 -1.96 -2.65 119.26 128.11 2bet h ALA 42 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2bet h ALA 42 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2bet h ALA 42 CO 0.30 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.20 2bet n ASP 43 N -3.63 2.49 -4.79 0.00 8.00 -1.26 -4.92 116.55 112.44 2bet n ASP 43 Ca -0.02 -1.74 -0.31 0.00 0.71 0.00 0.00 54.79 53.43 2bet n ASP 43 Cb 0.16 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.33 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 4.89 -0.15 -2.24 1.47 -1.00 -5.02 116.67 113.15 2bet s ASP 44 Ca 0.21 1.69 -0.04 0.00 1.18 0.00 0.00 52.55 55.58 2bet s ASP 44 Cb 0.15 -2.47 -0.03 0.00 -0.34 0.00 0.00 42.92 40.22 2bet s ASP 44 CO 0.22 -1.77 -0.02 -1.81 0.68 0.00 0.00 175.17 172.48 2bet s ASP 45 N -3.61 5.00 0.23 2.11 1.01 -1.26 -4.69 116.67 115.46 2bet s ASP 45 Ca 0.60 -0.06 -0.02 0.00 0.71 0.00 0.00 52.55 53.78 2bet s ASP 45 Cb -0.16 -1.78 0.25 0.00 1.01 0.00 0.00 42.92 42.25 2bet s ASP 45 CO 0.55 0.19 1.65 0.10 0.21 0.00 0.00 175.17 177.87 2bet h TYR 46 N 6.54 0.74 -0.78 4.23 -0.00 -1.95 -3.36 116.97 122.40 2bet h TYR 46 Ca -0.34 -0.17 0.14 0.00 0.00 0.00 0.00 58.73 58.36 2bet h TYR 46 Cb 1.19 -0.17 -0.09 0.00 0.00 0.00 0.00 36.73 37.65 2bet h TYR 46 CO 0.54 0.85 0.34 -1.35 -0.00 0.00 0.00 178.16 178.55 2bet h PRO 47 N 0.56 0.49 -0.50 0.10 0.11 -1.96 -2.33 132.00 128.46 2bet h PRO 47 Ca 0.07 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 2bet h PRO 47 Cb 0.75 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2bet h PRO 47 CO 0.06 0.32 0.08 0.00 -0.21 0.00 0.00 178.00 178.26 2bet h ALA 48 N 1.54 1.20 -0.10 -0.75 0.00 -1.99 -0.32 119.26 118.84 2bet h ALA 48 Ca 0.42 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 2bet h ALA 48 Cb 0.62 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2bet h ALA 48 CO -0.38 0.54 -0.71 0.74 0.00 0.00 0.00 179.25 179.44 2bet h PHE 49 N 0.75 0.61 0.02 0.00 -1.00 -1.66 -2.32 116.94 113.33 2bet h PHE 49 Ca 0.16 -0.26 -0.22 0.00 2.81 0.00 0.00 57.97 60.46 2bet h PHE 49 Cb 0.34 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 2bet h PHE 49 CO 0.02 1.02 -0.96 0.00 -1.61 0.00 0.00 178.31 176.78 2bet h ILE 51 N 0.17 1.17 -0.16 0.00 2.04 -1.12 -1.95 117.51 117.66 2bet h ILE 51 Ca -0.07 -2.12 -0.07 0.00 1.00 0.00 0.00 64.86 63.60 2bet h ILE 51 Cb 1.60 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 39.91 2bet h ILE 51 CO 0.16 0.55 -0.16 0.00 0.00 0.00 0.00 178.15 178.71 2bet h ALA 52 N 1.43 0.23 -0.37 1.87 0.00 -1.36 -1.94 119.26 119.13 2bet h ALA 52 Ca -0.01 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2bet h ALA 52 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2bet h ALA 52 CO 0.07 0.12 -0.28 0.00 0.00 0.00 0.00 179.25 179.17 2bet h ALA 53 N 0.61 0.53 -0.25 0.00 0.00 -1.44 -2.42 119.26 116.29 2bet h ALA 53 Ca 0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2bet h ALA 53 Cb 0.69 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2bet h ALA 53 CO 0.04 0.55 -0.32 0.00 0.00 0.00 0.00 179.25 179.53 2bet h ALA 54 N 0.77 0.38 -0.60 0.00 0.00 -1.42 -1.49 119.26 116.90 2bet h ALA 54 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2bet h ALA 54 Cb 0.85 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2bet h ALA 54 CO 0.07 0.42 0.38 1.15 0.00 0.00 0.00 179.25 181.27 2bet h THR 55 N 0.38 1.16 -0.00 0.00 2.02 -1.39 -2.06 112.91 113.02 2bet h THR 55 Ca 0.03 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 66.76 2bet h THR 55 Cb 0.89 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2bet h THR 55 CO 0.08 0.16 -0.59 0.03 0.37 0.00 0.00 175.52 175.57 2bet h ARG 56 N 0.81 0.00 -0.35 6.66 3.08 -1.38 -2.44 114.38 120.75 2bet h ARG 56 Ca 0.22 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.13 2bet h ARG 56 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2bet h ARG 56 CO -0.04 0.59 -0.31 1.15 -1.07 0.00 0.00 179.97 180.29 2bet h THR 57 N 0.00 1.28 -0.23 2.04 2.02 -1.02 -2.80 112.91 114.20 2bet h THR 57 Ca -0.01 -1.47 -0.12 0.00 0.77 0.00 0.00 66.41 65.58 2bet h THR 57 Cb 1.04 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2bet h THR 57 CO 0.08 0.49 -0.36 0.58 0.37 0.00 0.00 175.52 176.67 2bet h VAL 58 N 0.62 1.29 -0.00 3.16 2.07 -1.29 -2.87 116.25 119.24 2bet h VAL 58 Ca 0.06 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.10 2bet h VAL 58 Cb 0.89 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2bet h VAL 58 CO 0.08 0.46 -0.02 0.00 0.02 0.00 0.00 177.57 178.12 2bet n ALA 59 N -2.49 2.64 -3.42 1.67 0.00 -0.93 -4.19 120.51 113.79 2bet n ALA 59 Ca -0.01 -0.22 -0.26 0.00 0.00 0.00 0.00 53.44 52.94 2bet n ALA 59 Cb 0.48 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.94 1.23 -4.65 0.00 2.03 -1.06 -5.07 116.55 108.09 2bet n ASP 60 Ca 0.20 -2.85 -0.44 0.00 0.52 0.00 0.00 54.79 52.22 2bet n ASP 60 Cb 0.19 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.93 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 1.80 1.85 0.00 -0.67 -0.02 -1.26 -1.72 135.00 134.98 2bet n PRO 61 Ca 0.25 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2bet n PRO 61 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.50 3.13 3.88 -1.23 0.00 -1.26 -5.06 105.19 106.14 2bet n GLY 62 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.13 6.20 0.50 1.61 1.04 -0.70 -4.68 113.70 116.54 2bet s SER 63 Ca 0.00 1.35 0.01 0.00 0.48 0.00 0.00 55.95 57.79 2bet s SER 63 Cb 0.00 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 2bet s SER 63 CO 0.00 -0.86 0.02 -0.76 0.98 0.00 0.00 173.24 172.62 2bet s LEU 64 N -5.13 2.25 -0.05 2.42 1.43 0.06 -4.91 118.68 114.74 2bet s LEU 64 Ca 0.54 -1.66 -0.18 0.00 -1.03 0.00 0.00 54.13 51.80 2bet s LEU 64 Cb -0.11 -0.65 0.04 0.00 0.03 0.00 0.00 46.19 45.49 2bet s LEU 64 CO 0.53 -0.87 0.42 -0.83 0.23 0.00 0.00 176.35 175.83 2bet s GLY 65 N -3.85 -0.28 -0.04 -3.19 0.00 0.11 -1.51 107.32 98.56 2bet s GLY 65 Ca 0.08 0.73 -0.01 0.00 0.00 0.00 0.00 44.72 45.51 2bet s GLY 65 CO 0.04 0.49 0.03 -0.42 0.00 0.00 0.00 173.10 173.24 2bet s ILE 66 N -0.99 0.07 -0.07 0.90 1.01 -0.40 -1.85 121.20 119.88 2bet s ILE 66 Ca -0.10 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.84 2bet s ILE 66 Cb -0.04 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 2bet s ILE 66 CO 0.05 0.18 -0.14 0.68 0.00 0.00 0.00 174.94 175.71 2bet s VAL 67 N 1.79 3.03 -0.06 2.92 -7.23 -0.61 -1.53 120.40 118.71 2bet s VAL 67 Ca 0.01 -0.72 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 2bet s VAL 67 Cb -0.12 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 2bet s VAL 67 CO -0.03 0.58 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.38 2bet s LEU 68 N -0.47 1.95 0.00 1.32 2.01 0.05 -2.03 118.68 121.51 2bet s LEU 68 Ca 0.06 -0.42 0.00 0.00 0.01 0.00 0.00 54.13 53.78 2bet s LEU 68 Cb -0.12 -1.13 0.00 0.00 0.01 0.00 0.00 46.19 44.95 2bet s LEU 68 CO 0.02 0.16 0.00 0.61 1.01 0.00 0.00 176.35 178.15 2bet n GLY 69 N 3.24 5.14 0.10 -3.19 0.00 -1.12 -3.00 105.19 106.37 2bet n GLY 69 Ca -0.19 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.14 0.00 -0.02 0.00 -1.86 -1.19 103.07 99.86 2bet h GLY 70 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 2bet h GLY 70 CO 0.00 -0.05 -2.06 -1.14 0.00 0.00 0.00 176.54 173.29 2bet n SER 71 N -4.83 0.09 0.00 0.19 3.41 -1.26 -2.28 113.62 108.93 2bet n SER 71 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2bet n SER 71 Cb 0.20 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 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 1.38 1.21 0.12 5.00 0.00 -1.26 -2.99 105.19 108.64 2bet n GLY 72 Ca -0.10 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 0.40 -0.10 1.61 2.35 -1.94 -2.22 115.58 115.69 2bet h ASN 73 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.86 2bet h ASN 73 Cb 0.00 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 2bet h ASN 73 CO 0.00 1.48 0.06 1.23 -1.65 0.00 0.00 177.43 178.56 2bet h GLY 74 N -0.22 0.13 1.10 2.83 0.00 -2.00 -2.34 103.07 102.57 2bet h GLY 74 Ca -0.22 -0.05 -0.24 0.00 0.00 0.00 0.00 47.33 46.83 2bet h GLY 74 CO 0.09 0.05 -0.91 0.83 0.00 0.00 0.00 176.54 176.60 2bet h GLU 75 N 0.12 0.64 -0.01 4.80 3.07 -1.94 -2.40 114.58 118.86 2bet h GLU 75 Ca 0.04 -0.67 -0.14 0.00 -0.50 0.00 0.00 59.36 58.08 2bet h GLU 75 Cb -0.00 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2bet h GLU 75 CO -0.01 1.27 -0.64 -0.56 -1.40 0.00 0.00 179.01 177.67 2bet h GLN 76 N 0.29 0.06 -0.24 2.33 -0.00 -1.31 -2.37 115.11 113.87 2bet h GLN 76 Ca -0.11 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.48 2bet h GLN 76 Cb 1.58 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 29.05 2bet h GLN 76 CO 0.18 0.68 0.09 0.82 -0.00 0.00 0.00 178.83 180.60 2bet h ILE 77 N 0.04 1.17 -0.58 1.86 2.04 -1.40 -1.89 117.51 118.75 2bet h ILE 77 Ca -0.01 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2bet h ILE 77 Cb 1.14 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2bet h ILE 77 CO 0.09 0.17 0.23 0.00 0.00 0.00 0.00 178.15 178.64 2bet h ALA 78 N 0.94 0.76 0.00 1.87 0.00 -1.35 -2.75 119.26 118.73 2bet h ALA 78 Ca 0.08 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2bet h ALA 78 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bet h ALA 78 CO -0.01 0.38 -0.39 0.00 0.00 0.00 0.00 179.25 179.23 2bet h ALA 79 N 1.08 1.22 0.00 0.00 0.00 -1.37 -2.69 119.26 117.50 2bet h ALA 79 Ca 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2bet h ALA 79 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bet h ALA 79 CO -0.01 0.48 0.00 -0.91 0.00 0.00 0.00 179.25 178.81 2bet h ASN 80 N 0.00 0.00 1.47 0.00 2.35 -1.04 -2.87 115.58 115.49 2bet h ASN 80 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2bet h ASN 80 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2bet h ASN 80 CO 0.05 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.94 2bet h LYS 81 N 0.00 0.00 -6.43 0.81 1.79 -1.35 -3.45 116.57 107.94 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 0.61 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2bet h LYS 81 CO 0.00 0.00 0.71 0.08 -1.08 0.00 0.00 179.45 179.16 2bet s VAL 82 N -3.32 3.80 0.15 0.50 1.01 -1.09 -4.97 120.40 116.48 2bet s VAL 82 Ca 0.06 1.24 -0.34 0.00 0.00 0.00 0.00 61.98 62.93 2bet s VAL 82 Cb 0.08 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.53 2bet s VAL 82 CO 0.58 0.05 1.57 -2.65 0.00 0.00 0.00 175.10 174.65 2bet n PRO 83 N 4.63 2.08 -0.03 2.72 -0.02 -1.26 -2.27 135.00 140.85 2bet n PRO 83 Ca 0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2bet n PRO 83 Cb 0.44 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 3.37 1.88 3.86 -1.23 0.00 -1.26 -4.97 105.19 106.84 2bet n GLY 84 Ca 0.17 0.00 -0.33 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 -2.67 3.55 -0.19 4.61 0.00 -0.96 -4.97 121.76 121.13 2bet s ALA 85 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 2bet s ALA 85 Cb 0.00 -2.49 0.07 0.00 0.00 0.00 0.00 23.12 20.70 2bet s ALA 85 CO 0.00 0.48 0.08 1.03 0.00 0.00 0.00 175.76 177.35 2bet s ARG 86 N -2.53 0.26 -0.26 0.00 0.52 -1.26 -4.81 118.95 110.86 2bet s ARG 86 Ca 0.44 -0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 2bet s ARG 86 Cb -0.12 -1.84 0.05 0.00 0.52 0.00 0.00 34.95 33.56 2bet s ARG 86 CO 0.20 -0.71 -0.09 0.00 0.02 0.00 0.00 175.30 174.72 2bet s ALA 88 N 1.15 3.43 -0.31 0.00 0.00 -1.06 -4.86 121.76 120.10 2bet s ALA 88 Ca -0.07 -0.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 2bet s ALA 88 Cb -0.19 -2.61 -0.00 0.00 0.00 0.00 0.00 23.12 20.32 2bet s ALA 88 CO -0.05 0.28 0.75 -1.17 0.00 0.00 0.00 175.76 175.58 2bet s LEU 89 N -3.23 4.11 -0.32 0.00 2.96 -1.26 -0.82 118.68 120.12 2bet s LEU 89 Ca 0.50 0.56 -0.14 0.00 -0.22 0.00 0.00 54.13 54.84 2bet s LEU 89 Cb -0.11 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 2bet s LEU 89 CO 0.23 -0.60 0.31 0.00 -1.32 0.00 0.00 176.35 174.97 2bet s ALA 90 N 2.89 3.51 -0.03 5.97 0.00 -0.56 -4.87 121.76 128.68 2bet s ALA 90 Ca 0.30 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2bet s ALA 90 Cb -0.14 -2.72 0.06 0.00 0.00 0.00 0.00 23.12 20.32 2bet s ALA 90 CO 0.13 -0.92 1.00 -2.67 0.00 0.00 0.00 175.76 173.30 2bet n TRP 91 N 5.26 0.00 -3.71 0.00 4.27 -1.26 -4.52 117.44 117.48 2bet n TRP 91 Ca -0.11 -0.56 -0.05 0.00 -3.89 0.00 0.00 57.50 52.89 2bet n TRP 91 Cb 0.50 -0.07 -0.02 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 -1.33 -0.25 0.27 -0.67 1.04 -1.26 -5.02 113.70 106.48 2bet s SER 92 Ca 0.07 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 2bet s SER 92 Cb 0.06 0.52 0.36 0.00 0.10 0.00 0.00 66.02 67.05 2bet s SER 92 CO 0.01 -0.93 1.80 0.58 0.98 0.00 0.00 173.24 175.67 2bet h VAL 93 N 2.00 1.23 -0.02 5.02 2.07 -1.91 -2.50 116.25 122.14 2bet h VAL 93 Ca -0.23 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2bet h VAL 93 Cb 1.24 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2bet h VAL 93 CO 0.27 0.32 -0.00 -0.61 0.02 0.00 0.00 177.57 177.57 2bet h GLN 94 N 0.82 0.04 0.00 1.57 4.15 -1.97 -2.47 115.11 117.25 2bet h GLN 94 Ca 0.18 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 2bet h GLN 94 Cb 0.33 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2bet h GLN 94 CO 0.00 0.37 -0.31 1.79 -1.93 0.00 0.00 178.83 178.75 2bet h THR 95 N -0.29 1.14 -0.33 2.39 1.35 -1.94 -0.59 112.91 114.64 2bet h THR 95 Ca 0.01 -1.09 -0.15 0.00 -0.55 0.00 0.00 66.41 64.63 2bet h THR 95 Cb 0.35 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 2bet h THR 95 CO 0.00 0.30 -0.38 0.00 -0.25 0.00 0.00 175.52 175.20 2bet h ALA 96 N 1.69 0.70 -0.09 6.62 0.00 -1.41 -1.81 119.26 124.96 2bet h ALA 96 Ca -0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 2bet h ALA 96 Cb 0.58 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bet h ALA 96 CO 0.04 0.66 -0.89 0.00 0.00 0.00 0.00 179.25 179.06 2bet h ALA 97 N 0.92 0.24 0.00 0.00 0.00 -1.05 -3.17 119.26 116.20 2bet h ALA 97 Ca 0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.26 2bet h ALA 97 Cb 0.93 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2bet h ALA 97 CO 0.09 0.69 -0.32 -0.07 0.00 0.00 0.00 179.25 179.64 2bet h LEU 98 N 0.48 0.00 -0.56 0.00 3.38 -1.14 -1.43 115.31 116.03 2bet h LEU 98 Ca -0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2bet h LEU 98 Cb 1.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 2bet h LEU 98 CO 0.18 0.32 0.37 0.00 0.09 0.00 0.00 178.44 179.40 2bet h ALA 99 N 1.68 0.72 0.02 1.53 0.00 -1.30 -1.38 119.26 120.53 2bet h ALA 99 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bet h ALA 99 Cb 0.77 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2bet h ALA 99 CO 0.04 0.15 -0.01 0.00 0.00 0.00 0.00 179.25 179.43 2bet h ARG 100 N 0.76 -0.03 -0.47 0.00 2.47 -1.51 -1.78 114.38 113.82 2bet h ARG 100 Ca 0.21 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.86 2bet h ARG 100 Cb -0.08 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 2bet h ARG 100 CO -0.05 0.57 0.00 1.49 0.56 0.00 0.00 179.97 182.54 2bet h GLU 101 N -0.66 0.83 0.00 0.04 4.81 -1.24 -2.73 114.58 115.63 2bet h GLU 101 Ca -0.00 -0.26 -0.44 0.00 -0.13 0.00 0.00 59.36 58.53 2bet h GLU 101 Cb 0.62 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 2bet h GLU 101 CO 0.01 0.88 -2.52 0.72 -0.73 0.00 0.00 179.01 177.36 2bet n HIS 102 N -4.36 0.00 1.07 0.92 8.25 -0.52 -2.97 115.22 117.61 2bet n HIS 102 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2bet n HIS 102 Cb 0.31 -0.99 0.17 0.00 1.12 0.00 0.00 29.99 30.59 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 -3.87 1.04 -4.13 0.41 5.03 -1.02 -4.79 115.26 107.93 2bet n ASN 103 Ca -0.51 -0.83 -0.35 0.00 0.87 0.00 0.00 54.58 53.76 2bet n ASN 103 Cb 0.92 0.41 -0.02 0.00 -1.02 0.00 0.00 39.78 40.08 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 -0.98 -3.62 -4.69 6.41 5.15 -0.82 -4.87 115.26 111.84 2bet n ASN 104 Ca 0.08 -0.94 -0.42 0.00 -0.60 0.00 0.00 54.58 52.70 2bet n ASN 104 Cb 0.36 -2.94 -0.03 0.00 -0.53 0.00 0.00 39.78 36.64 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 -3.25 3.60 -0.40 5.20 0.00 -0.73 -4.89 121.76 121.28 2bet s ALA 105 Ca 0.72 0.96 0.22 0.00 0.00 0.00 0.00 51.96 53.86 2bet s ALA 105 Cb -0.39 -3.61 0.31 0.00 0.00 0.00 0.00 23.12 19.44 2bet s ALA 105 CO 0.89 -0.91 1.59 1.96 0.00 0.00 0.00 175.76 179.29 2bet h GLN 106 N 7.81 0.00 -5.21 0.00 7.50 -1.83 -3.43 115.11 119.94 2bet h GLN 106 Ca -0.39 0.00 -0.36 0.00 0.50 0.00 0.00 58.65 58.40 2bet h GLN 106 Cb 1.19 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 28.56 2bet h GLN 106 CO 0.90 0.07 -0.73 -0.51 -1.50 0.00 0.00 178.83 177.06 2bet s LEU 107 N -6.24 2.51 0.01 1.46 1.02 -1.09 0.06 118.68 116.41 2bet s LEU 107 Ca 0.07 -0.98 0.01 0.00 0.02 0.00 0.00 54.13 53.24 2bet s LEU 107 Cb 0.05 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.81 2bet s LEU 107 CO 0.68 -0.27 -0.03 0.27 0.02 0.00 0.00 176.35 177.02 2bet s ILE 108 N -3.04 0.17 0.11 -0.59 -4.36 -0.77 -2.58 121.20 110.14 2bet s ILE 108 Ca 0.16 -0.57 -0.10 0.00 -0.26 0.00 0.00 60.65 59.89 2bet s ILE 108 Cb 0.01 -0.24 -0.06 0.00 1.25 0.00 0.00 42.46 43.41 2bet s ILE 108 CO 0.02 -0.25 0.42 -0.83 0.24 0.00 0.00 174.94 174.54 2bet s GLY 109 N -0.86 2.33 -0.01 6.27 0.00 0.00 -1.57 107.32 113.48 2bet s GLY 109 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.27 2bet s GLY 109 CO -0.00 -0.17 0.01 -0.42 0.00 0.00 0.00 173.10 172.51 2bet s ILE 110 N -1.48 0.01 -0.24 0.90 1.01 -0.86 -1.50 121.20 119.04 2bet s ILE 110 Ca 0.36 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.86 2bet s ILE 110 Cb -0.14 -0.06 -0.02 0.00 0.01 0.00 0.00 42.46 42.26 2bet s ILE 110 CO 0.19 0.04 0.62 -0.83 0.00 0.00 0.00 174.94 174.96 2bet s GLY 111 N 0.34 1.89 0.42 6.18 0.00 -1.16 -2.80 107.32 112.18 2bet s GLY 111 Ca -0.03 -0.40 0.21 0.00 0.00 0.00 0.00 44.72 44.50 2bet s GLY 111 CO -0.01 1.38 1.83 -1.33 0.00 0.00 0.00 173.10 174.97 2bet h GLY 112 N 8.69 0.00 0.66 0.20 0.00 -1.03 -2.93 103.07 108.65 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 0.77 0.00 -0.09 0.54 0.00 0.00 0.00 176.54 177.76 2bet n ARG 113 N -3.57 0.88 -0.04 4.80 1.74 -0.97 -4.12 116.66 115.39 2bet n ARG 113 Ca -0.01 -0.33 0.04 0.00 -0.77 0.00 0.00 57.85 56.78 2bet n ARG 113 Cb 0.43 -1.49 -0.16 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 -0.77 0.70 -4.29 5.56 2.81 -1.11 -5.02 117.12 115.01 2bet n MET 114 Ca 0.16 -0.13 -0.16 0.00 -1.81 0.00 0.00 57.70 55.76 2bet n MET 114 Cb 0.27 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.19 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 -3.14 1.46 0.92 2.03 3.76 -1.24 -5.09 115.29 113.99 2bet s HIS 115 Ca -0.08 -0.67 -0.14 0.00 -0.15 0.00 0.00 55.06 54.02 2bet s HIS 115 Cb 0.11 -0.71 0.15 0.00 1.11 0.00 0.00 32.58 33.24 2bet s HIS 115 CO 0.84 0.20 1.19 0.95 -0.85 0.00 0.00 174.74 177.07 2bet s THR 116 N -3.12 1.96 0.12 1.30 -4.23 -1.26 -4.88 115.64 105.53 2bet s THR 116 Ca 0.19 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.52 2bet s THR 116 Cb 0.01 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 2bet s THR 116 CO 0.03 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.34 2bet h VAL 117 N -1.52 1.20 -0.34 2.29 2.07 -1.99 -2.18 116.25 115.77 2bet h VAL 117 Ca -0.47 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 2bet h VAL 117 Cb 1.31 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2bet h VAL 117 CO 0.55 0.21 -0.01 0.00 0.02 0.00 0.00 177.57 178.35 2bet h ALA 118 N 0.96 1.36 -0.15 1.67 0.00 -1.99 -1.84 119.26 119.26 2bet h ALA 118 Ca 0.11 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 2bet h ALA 118 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bet h ALA 118 CO -0.01 0.44 -0.69 0.93 0.00 0.00 0.00 179.25 179.93 2bet h GLU 119 N 0.50 0.63 -0.14 0.00 5.08 -1.90 -2.78 114.58 115.97 2bet h GLU 119 Ca 0.11 -0.47 -0.15 0.00 -1.00 0.00 0.00 59.36 57.84 2bet h GLU 119 Cb 0.34 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2bet h GLU 119 CO 0.01 1.10 -0.55 0.00 -1.00 0.00 0.00 179.01 178.56 2bet h ALA 120 N 0.78 0.79 0.00 3.43 0.00 -1.12 -2.60 119.26 120.54 2bet h ALA 120 Ca -0.03 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 2bet h ALA 120 Cb 1.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2bet h ALA 120 CO 0.13 0.69 -0.73 -0.07 0.00 0.00 0.00 179.25 179.28 2bet h LEU 121 N 0.32 0.00 -0.76 0.00 3.38 -1.38 -2.18 115.31 114.69 2bet h LEU 121 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2bet h LEU 121 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2bet h LEU 121 CO 0.10 0.73 -0.56 0.00 0.09 0.00 0.00 178.44 178.80 2bet h ALA 122 N 1.27 0.95 -0.50 1.53 0.00 -1.43 -1.83 119.26 119.25 2bet h ALA 122 Ca -0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2bet h ALA 122 Cb 1.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2bet h ALA 122 CO 0.09 0.70 0.01 0.82 0.00 0.00 0.00 179.25 180.87 2bet h ILE 123 N 0.14 1.26 -0.71 0.00 2.04 -1.26 -2.77 117.51 116.20 2bet h ILE 123 Ca -0.00 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 2bet h ILE 123 Cb 1.02 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2bet h ILE 123 CO 0.08 0.38 0.19 0.58 0.00 0.00 0.00 178.15 179.38 2bet h VAL 124 N 0.75 1.26 -0.30 1.67 2.07 -1.25 -2.38 116.25 118.06 2bet h VAL 124 Ca 0.14 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2bet h VAL 124 Cb 0.51 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2bet h VAL 124 CO 0.02 0.37 0.14 0.44 0.02 0.00 0.00 177.57 178.56 2bet h ASP 125 N 1.07 0.39 -0.06 0.57 3.32 -1.27 -2.11 116.42 118.33 2bet h ASP 125 Ca 0.23 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 2bet h ASP 125 Cb 0.35 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2bet h ASP 125 CO -0.00 0.41 -0.11 0.00 -1.72 0.00 0.00 179.24 177.81 2bet h ALA 126 N 1.00 1.40 -0.31 3.45 0.00 -1.41 -2.51 119.26 120.89 2bet h ALA 126 Ca 0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2bet h ALA 126 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2bet h ALA 126 CO -0.01 0.41 -0.17 0.35 0.00 0.00 0.00 179.25 179.83 2bet h PHE 127 N 0.34 0.76 -0.01 0.00 3.57 -1.05 -2.45 116.94 118.11 2bet h PHE 127 Ca 0.07 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2bet h PHE 127 Cb 0.41 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.98 2bet h PHE 127 CO 0.01 0.89 -0.22 1.33 -2.23 0.00 0.00 178.31 178.09 2bet n VAL 128 N -4.36 0.00 -0.00 1.41 0.24 -0.83 -4.08 118.33 110.71 2bet n VAL 128 Ca -0.03 -0.11 0.02 0.00 -2.04 0.00 0.00 64.34 62.18 2bet n VAL 128 Cb 0.39 0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.72 0.03 -2.50 3.34 -2.24 -0.96 -4.89 114.28 106.35 2bet n THR 129 Ca 0.13 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 2bet n THR 129 Cb 0.33 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.35 4.38 0.51 4.28 2.01 -0.92 -5.02 115.64 118.54 2bet s THR 130 Ca -0.02 1.68 -0.18 0.00 0.31 0.00 0.00 61.69 63.48 2bet s THR 130 Cb 0.03 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.39 2bet s THR 130 CO 0.22 -0.08 1.00 -2.16 -0.69 0.00 0.00 174.62 172.92 2bet s PRO 131 N 2.85 3.82 0.08 4.92 0.04 -1.26 -4.77 135.00 140.68 2bet s PRO 131 Ca 0.53 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 2bet s PRO 131 Cb -0.21 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 2bet s PRO 131 CO 0.16 -0.38 1.19 -0.46 0.04 0.00 0.00 177.00 177.55 2bet s TRP 132 N -2.41 3.45 0.16 0.56 -0.00 -1.26 -3.89 118.94 115.56 2bet s TRP 132 Ca 0.62 1.33 0.14 0.00 -0.00 0.00 0.00 56.10 58.19 2bet s TRP 132 Cb -0.12 -3.41 0.42 0.00 -0.00 0.00 0.00 33.47 30.36 2bet s TRP 132 CO 0.28 -1.23 1.62 0.66 -0.00 0.00 0.00 176.95 178.28 2bet h SER 133 N 6.56 0.00 -0.66 5.86 4.64 -1.73 -3.48 113.55 124.74 2bet h SER 133 Ca -0.42 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.62 2bet h SER 133 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 2bet h SER 133 CO 0.80 0.53 -0.26 0.29 -0.87 0.00 0.00 176.83 177.32 2bet n LYS 134 N -3.57 -1.05 -2.25 4.77 5.02 -1.26 -4.99 118.16 114.83 2bet n LYS 134 Ca -0.00 0.98 -0.36 0.00 -2.02 0.00 0.00 58.31 56.90 2bet n LYS 134 Cb 0.61 -5.09 -0.00 0.00 -0.02 0.00 0.00 35.03 30.52 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 -2.47 2.86 0.20 7.82 0.00 -1.26 -4.87 121.76 124.04 2bet s ALA 135 Ca 0.00 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 2bet s ALA 135 Cb 0.00 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.88 2bet s ALA 135 CO 0.00 -0.71 1.83 0.37 0.00 0.00 0.00 175.76 177.25 2bet h GLN 136 N 1.69 0.97 -0.18 0.00 4.15 -1.99 -2.12 115.11 117.63 2bet h GLN 136 Ca -0.50 -0.10 -0.12 0.00 0.77 0.00 0.00 58.65 58.71 2bet h GLN 136 Cb 1.25 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 2bet h GLN 136 CO 0.59 0.70 -0.41 0.07 -1.93 0.00 0.00 178.83 177.85 2bet h ARG 137 N 0.96 0.42 -0.28 1.69 0.11 -1.99 -1.58 114.38 113.71 2bet h ARG 137 Ca 0.25 -0.21 -0.09 0.00 0.10 0.00 0.00 59.98 60.03 2bet h ARG 137 Cb -0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2bet h ARG 137 CO -0.05 0.76 -0.18 0.45 0.10 0.00 0.00 179.97 181.06 2bet h HIS 138 N 0.35 0.72 -0.32 4.08 3.86 -1.78 -2.44 115.15 119.62 2bet h HIS 138 Ca 0.03 -0.19 -0.08 0.00 -1.16 0.00 0.00 60.37 58.97 2bet h HIS 138 Cb 0.87 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 2bet h HIS 138 CO 0.03 0.88 -0.14 0.37 0.86 0.00 0.00 177.93 179.92 2bet h GLN 139 N 0.35 0.56 -0.76 2.45 5.75 -1.32 -2.02 115.11 120.13 2bet h GLN 139 Ca 0.06 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.32 2bet h GLN 139 Cb 0.71 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 2bet h GLN 139 CO 0.05 0.69 0.25 -0.09 -2.65 0.00 0.00 178.83 177.08 2bet h ARG 140 N 0.52 1.17 -0.15 1.69 2.43 -1.19 -0.94 114.38 117.91 2bet h ARG 140 Ca 0.09 -0.24 -0.20 0.00 -0.81 0.00 0.00 59.98 58.82 2bet h ARG 140 Cb 0.55 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2bet h ARG 140 CO 0.04 0.98 -0.71 0.00 -1.51 0.00 0.00 179.97 178.77 2bet h ARG 141 N 1.12 0.66 -0.51 0.20 3.08 -1.25 -2.32 114.38 115.37 2bet h ARG 141 Ca 0.25 -0.51 -0.06 0.00 0.07 0.00 0.00 59.98 59.73 2bet h ARG 141 Cb 0.29 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2bet h ARG 141 CO -0.01 1.13 0.07 0.82 -1.07 0.00 0.00 179.97 180.91 2bet h ILE 142 N 0.47 1.23 -0.18 2.04 2.04 -1.19 -2.38 117.51 119.54 2bet h ILE 142 Ca -0.03 -0.90 -0.15 0.00 1.00 0.00 0.00 64.86 64.78 2bet h ILE 142 Cb 1.31 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2bet h ILE 142 CO 0.14 0.33 -0.52 0.44 0.00 0.00 0.00 178.15 178.53 2bet h ASP 143 N 0.77 0.57 -0.42 1.72 3.32 -1.09 -1.70 116.42 119.59 2bet h ASP 143 Ca 0.16 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 2bet h ASP 143 Cb 0.37 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2bet h ASP 143 CO 0.01 0.99 0.00 0.40 -1.72 0.00 0.00 179.24 178.92 2bet h ILE 144 N 0.40 1.26 -0.50 0.35 2.04 -1.24 -1.91 117.51 117.91 2bet h ILE 144 Ca 0.01 -1.02 -0.13 0.00 1.00 0.00 0.00 64.86 64.73 2bet h ILE 144 Cb 1.05 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2bet h ILE 144 CO 0.10 0.35 -0.18 0.25 0.00 0.00 0.00 178.15 178.67 2bet h LEU 145 N 0.58 1.03 -1.36 1.44 5.85 -1.38 -2.36 115.31 119.11 2bet h LEU 145 Ca 0.12 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 2bet h LEU 145 Cb 0.48 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2bet h LEU 145 CO 0.02 1.17 0.08 0.00 -0.34 0.00 0.00 178.44 179.37 2bet h ALA 146 N 0.88 1.49 -0.22 1.25 0.00 -1.25 -0.80 119.26 120.61 2bet h ALA 146 Ca 0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2bet h ALA 146 Cb 0.76 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2bet h ALA 146 CO 0.06 0.38 -0.50 1.49 0.00 0.00 0.00 179.25 180.69 2bet h GLU 147 N 0.50 0.60 -0.31 0.00 4.57 -1.11 -1.80 114.58 117.04 2bet h GLU 147 Ca 0.12 -0.35 -0.09 0.00 -1.18 0.00 0.00 59.36 57.86 2bet h GLU 147 Cb 0.21 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2bet h GLU 147 CO -0.00 0.96 -0.17 -0.92 -1.18 0.00 0.00 179.01 177.70 2bet h TYR 148 N 0.48 0.60 0.00 0.92 5.03 -0.95 -2.81 116.97 120.24 2bet h TYR 148 Ca 0.02 -0.11 -0.07 0.00 2.58 0.00 0.00 58.73 61.15 2bet h TYR 148 Cb 1.03 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.15 2bet h TYR 148 CO 0.05 0.69 -0.33 1.49 -1.32 0.00 0.00 178.16 178.73 2bet h GLU 149 N 0.50 0.00 -0.05 1.82 4.81 -0.79 0.44 114.58 121.31 2bet h GLU 149 Ca 0.08 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 2bet h GLU 149 Cb 0.58 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.97 2bet h GLU 149 CO 0.04 0.33 -0.39 -0.09 -0.73 0.00 0.00 179.01 178.17 2bet h ARG 150 N 0.00 0.36 0.00 1.92 2.43 -1.11 -3.39 114.38 114.59 2bet h ARG 150 Ca -0.00 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2bet h ARG 150 Cb 0.69 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2bet h ARG 150 CO 0.04 0.97 -1.17 0.25 -1.51 0.00 0.00 179.97 178.55 2bet n THR 151 N -4.37 0.00 -2.55 0.20 -2.24 -1.08 -5.00 114.28 99.24 2bet n THR 151 Ca -0.09 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 2bet n THR 151 Cb 0.55 0.47 -0.00 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.67 -1.40 -3.58 4.78 8.25 0.16 -4.97 115.22 116.78 2bet n HIS 152 Ca -0.01 0.07 -0.41 0.00 -0.26 0.00 0.00 57.72 57.11 2bet n HIS 152 Cb 0.22 -3.12 -0.11 0.00 1.12 0.00 0.00 29.99 28.10 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 -5.16 2.84 0.19 -0.41 2.02 -1.26 -5.06 118.70 111.86 2bet s GLU 153 Ca 0.05 -1.08 -0.32 0.00 0.02 0.00 0.00 54.97 53.65 2bet s GLU 153 Cb -0.03 -3.76 -0.11 0.00 0.10 0.00 0.00 34.13 30.33 2bet s GLU 153 CO 0.06 -0.71 1.69 0.00 0.02 0.00 0.00 175.26 176.33 2bet s ALA 154 N 1.57 3.88 0.48 5.21 0.00 -1.26 -4.74 121.76 126.89 2bet s ALA 154 Ca 0.02 1.51 -0.21 0.00 0.00 0.00 0.00 51.96 53.28 2bet s ALA 154 Cb -0.19 -3.68 -0.08 0.00 0.00 0.00 0.00 23.12 19.17 2bet s ALA 154 CO 0.07 -0.92 1.09 -1.25 0.00 0.00 0.00 175.76 174.76 2bet s PRO 155 N 1.33 3.75 0.30 0.00 0.04 -1.26 -4.99 135.00 134.17 2bet s PRO 155 Ca 0.74 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 2bet s PRO 155 Cb -0.48 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 2bet s PRO 155 CO 0.32 -0.51 1.27 -1.25 0.04 0.00 0.00 177.00 176.87 2bet s PRO 156 N -2.97 4.42 0.43 0.56 0.04 -1.26 -5.00 135.00 131.22 2bet s PRO 156 Ca 0.66 2.11 -0.24 0.00 0.04 0.00 0.00 61.00 63.57 2bet s PRO 156 Cb -0.22 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.12 2bet s PRO 156 CO 0.27 -0.12 1.13 0.14 0.04 0.00 0.00 177.00 178.46 2bet s VAL 157 N -0.93 3.30 -1.19 -0.36 -7.23 -1.26 -4.93 120.40 107.80 2bet s VAL 157 Ca 0.49 1.01 -0.21 0.00 -1.81 0.00 0.00 61.98 61.47 2bet s VAL 157 Cb -0.38 -3.53 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2bet s VAL 157 CO 0.48 0.02 1.80 -2.84 -0.31 0.00 0.00 175.10 174.24 2bet s PRO 158 N -2.54 3.28 0.00 4.82 0.02 -1.26 -5.34 135.00 133.98 2bet s PRO 158 Ca 0.60 -1.45 0.00 0.00 0.02 0.00 0.00 61.00 60.17 2bet s PRO 158 Cb -0.27 -5.37 0.00 0.00 0.02 0.00 0.00 34.50 28.88 2bet s PRO 158 CO 0.33 -2.98 0.00 0.41 -0.33 0.00 0.00 177.00 174.43