#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dog s ARG 2 N 0.00 2.52 0.23 0.03 6.06 -1.26 -4.91 118.95 121.63 2dog s ARG 2 Ca 0.00 -1.13 0.09 0.00 -2.50 0.00 0.00 55.73 52.18 2dog s ARG 2 Cb 0.00 -5.24 -0.04 0.00 0.06 0.00 0.00 34.95 29.73 2dog s ARG 2 CO 0.00 -3.92 -0.00 -0.51 -2.50 0.00 0.00 175.30 168.37 2dog s LEU 3 N 10.85 3.24 -0.01 -0.88 1.43 -1.26 -3.60 118.68 128.45 2dog s LEU 3 Ca 0.68 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 2dog s LEU 3 Cb -0.01 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.41 2dog s LEU 3 CO 0.12 0.03 0.23 0.68 0.23 0.00 0.00 176.35 177.65 2dog s VAL 4 N -2.09 0.06 -0.33 -1.59 -7.23 -0.75 -4.93 120.40 103.55 2dog s VAL 4 Ca 0.30 -0.52 -0.26 0.00 -1.81 0.00 0.00 61.98 59.68 2dog s VAL 4 Cb -0.08 -0.52 0.01 0.00 0.56 0.00 0.00 36.38 36.36 2dog s VAL 4 CO 0.19 -0.29 0.93 -0.70 -0.31 0.00 0.00 175.10 174.93 2dog s GLU 5 N -1.23 3.97 -0.24 4.82 2.12 -1.26 -0.28 118.70 126.60 2dog s GLU 5 Ca -0.13 0.76 0.07 0.00 0.36 0.00 0.00 54.97 56.04 2dog s GLU 5 Cb -0.06 -3.75 -0.20 0.00 0.26 0.00 0.00 34.13 30.38 2dog s GLU 5 CO 0.03 -0.83 -0.12 0.44 -0.54 0.00 0.00 175.26 174.24 2dog n ILE 6 N 5.78 1.46 -3.89 -3.70 -5.35 -1.17 -4.99 119.36 107.51 2dog n ILE 6 Ca 0.08 -0.67 -0.10 0.00 -0.27 0.00 0.00 62.75 61.79 2dog n ILE 6 Cb 0.48 -1.10 -0.00 0.00 -1.74 0.00 0.00 39.64 37.27 2dog n ILE 6 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2dog s GLY 7 N -6.15 0.57 0.01 3.28 0.00 -1.25 -1.41 107.32 102.36 2dog s GLY 7 Ca -0.26 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 2dog s GLY 7 CO 0.68 -0.45 -0.01 -1.60 0.00 0.00 0.00 173.10 171.72 2dog s ARG 8 N -2.77 0.16 0.30 2.90 3.52 -0.74 -1.36 118.95 120.96 2dog s ARG 8 Ca 0.19 -0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.19 2dog s ARG 8 Cb -0.04 0.06 -0.10 0.00 -1.56 0.00 0.00 34.95 33.31 2dog s ARG 8 CO 0.13 -0.03 1.18 -0.06 -0.81 0.00 0.00 175.30 175.71 2dog s PHE 9 N -0.74 3.37 0.00 5.12 0.08 -0.96 -1.87 117.98 122.97 2dog s PHE 9 Ca -0.08 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2dog s PHE 9 Cb -0.05 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 2dog s PHE 9 CO -0.00 -1.06 0.00 0.41 -0.10 0.00 0.00 175.22 174.47 2dog n GLY 10 N 1.02 -0.05 3.33 4.36 0.00 0.99 -3.47 105.19 111.38 2dog n GLY 10 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2dog n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dog s ALA 11 N -3.52 2.04 -0.38 4.61 0.00 -1.26 -4.41 121.76 118.83 2dog s ALA 11 Ca 0.00 -1.40 -0.28 0.00 0.00 0.00 0.00 51.96 50.28 2dog s ALA 11 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 2dog s ALA 11 CO 0.00 0.36 1.72 -1.25 0.00 0.00 0.00 175.76 176.59 2dog s PRO 12 N -2.29 3.30 0.99 0.00 0.04 -1.26 -1.57 135.00 134.20 2dog s PRO 12 Ca 0.12 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 2dog s PRO 12 Cb -0.08 -4.18 0.07 0.00 0.04 0.00 0.00 34.50 30.34 2dog s PRO 12 CO 0.06 -1.91 -0.13 0.98 0.04 0.00 0.00 177.00 176.05 2dog n TYR 13 N 10.28 -1.80 -0.99 0.56 9.36 0.31 -4.81 117.16 130.06 2dog n TYR 13 Ca 0.21 0.21 -0.34 0.00 3.32 0.00 0.00 57.90 61.30 2dog n TYR 13 Cb 0.48 -1.43 0.03 0.00 -0.63 0.00 0.00 39.34 37.78 2dog n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dog n ALA 14 N -4.14 -4.51 -0.50 2.98 0.00 -1.26 -4.45 120.51 108.64 2dog n ALA 14 Ca 0.02 -0.44 0.41 0.00 0.00 0.00 0.00 53.44 53.43 2dog n ALA 14 Cb 0.47 -1.12 0.62 0.00 0.00 0.00 0.00 19.45 19.42 2dog n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dog n LEU 15 N 2.91 0.00 -0.55 0.00 4.77 -1.26 -0.66 117.00 122.21 2dog n LEU 15 Ca 0.01 0.82 0.42 0.00 -0.03 0.00 0.00 56.01 57.23 2dog n LEU 15 Cb 0.49 -0.38 0.65 0.00 -2.33 0.00 0.00 43.42 41.85 2dog n LEU 15 CO 0.49 -0.82 1.18 0.29 -1.33 0.00 0.00 177.39 177.20 2dog n LYS 16 N -3.49 -0.01 0.00 3.23 4.76 -1.26 -4.01 118.16 117.38 2dog n LYS 16 Ca 0.34 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.69 2dog n LYS 16 Cb 1.66 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 2dog n LYS 16 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dog n GLY 17 N -1.69 1.66 3.46 0.72 0.00 0.17 -4.54 105.19 104.97 2dog n GLY 17 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 2dog n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dog n GLY 18 N -0.99 -1.72 2.99 -0.02 0.00 -1.25 -4.71 105.19 99.49 2dog n GLY 18 Ca 0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 2dog n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dog s LEU 19 N -2.36 1.51 -0.45 0.99 1.43 -0.66 -0.53 118.68 118.61 2dog s LEU 19 Ca 0.59 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.11 2dog s LEU 19 Cb -0.21 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2dog s LEU 19 CO 0.65 -0.02 1.91 -0.13 0.23 0.00 0.00 176.35 178.99 2dog s ARG 20 N 1.01 2.91 -0.27 1.70 0.52 -0.61 -0.52 118.95 123.69 2dog s ARG 20 Ca -0.08 1.13 -0.06 0.00 -0.52 0.00 0.00 55.73 56.20 2dog s ARG 20 Cb -0.15 -4.32 -0.00 0.00 0.52 0.00 0.00 34.95 31.00 2dog s ARG 20 CO -0.00 -2.36 0.05 0.12 0.02 0.00 0.00 175.30 173.12 2dog s PHE 21 N 8.38 3.09 -0.58 -0.53 5.36 0.24 -0.00 117.98 133.94 2dog s PHE 21 Ca 0.78 -0.89 -0.11 0.00 -0.96 0.00 0.00 56.93 55.75 2dog s PHE 21 Cb -0.18 -2.21 0.15 0.00 -0.34 0.00 0.00 43.02 40.43 2dog s PHE 21 CO 0.28 -0.53 0.48 0.50 -1.46 0.00 0.00 175.22 174.48 2dog s ARG 22 N 1.51 2.84 0.26 10.12 3.52 -0.78 -3.47 118.95 132.95 2dog s ARG 22 Ca 0.04 -1.99 0.00 0.00 -0.13 0.00 0.00 55.73 53.66 2dog s ARG 22 Cb -0.16 -4.09 -0.03 0.00 -1.56 0.00 0.00 34.95 29.11 2dog s ARG 22 CO 0.01 -1.24 0.25 0.20 -0.81 0.00 0.00 175.30 173.71 2dog s GLY 23 N 2.56 1.65 0.92 8.12 0.00 -1.26 -1.79 107.32 117.51 2dog s GLY 23 Ca 0.09 -1.72 -0.14 0.00 0.00 0.00 0.00 44.72 42.95 2dog s GLY 23 CO -0.02 -1.30 0.32 1.18 0.00 0.00 0.00 173.10 173.28 2dog n GLU 24 N -0.43 -0.17 0.07 2.90 -0.58 -0.50 -4.85 120.64 117.09 2dog n GLU 24 Ca 0.03 -0.01 0.10 0.00 -0.42 0.00 0.00 57.16 56.86 2dog n GLU 24 Cb 0.64 -1.77 0.41 0.00 -0.57 0.00 0.00 31.44 30.15 2dog n GLU 24 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2dog n PRO 25 N -1.15 0.11 0.20 3.49 -0.04 -1.26 -2.59 135.00 133.76 2dog n PRO 25 Ca 0.06 0.35 0.15 0.00 -0.04 0.00 0.00 63.50 64.02 2dog n PRO 25 Cb 0.53 -1.71 0.66 0.00 -0.04 0.00 0.00 33.50 32.94 2dog n PRO 25 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2dog h VAL 26 N 0.00 0.00 0.00 0.52 3.04 -1.99 -2.38 116.25 115.44 2dog h VAL 26 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2dog h VAL 26 Cb 0.31 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2dog h VAL 26 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.57 178.18 2dog h VAL 27 N 0.00 0.00 0.00 1.51 3.04 -1.84 -1.10 116.25 117.85 2dog h VAL 27 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2dog h VAL 27 Cb 0.28 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 2dog h VAL 27 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 2dog n LEU 28 N -2.31 0.00 -0.61 3.16 4.77 -0.90 -2.23 117.00 118.88 2dog n LEU 28 Ca -0.00 0.44 0.06 0.00 -0.03 0.00 0.00 56.01 56.48 2dog n LEU 28 Cb 0.11 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 40.87 2dog n LEU 28 CO 0.14 -0.14 0.56 1.41 -1.33 0.00 0.00 177.39 178.03 2dog n HIS 29 N -1.44 0.29 -2.80 -1.77 8.25 -0.42 -5.00 115.22 112.33 2dog n HIS 29 Ca 0.06 -0.29 -0.20 0.00 -0.26 0.00 0.00 57.72 57.04 2dog n HIS 29 Cb 0.22 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.34 2dog n HIS 29 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dog s LEU 30 N -1.01 3.43 0.00 2.41 1.43 -0.95 -4.84 118.68 119.15 2dog s LEU 30 Ca 0.21 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2dog s LEU 30 Cb 0.12 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2dog s LEU 30 CO 0.17 -0.98 0.00 -0.62 0.23 0.00 0.00 176.35 175.14 2dog n GLU 31 N -2.15 0.96 -4.65 1.70 1.02 -1.26 -5.07 120.64 111.19 2dog n GLU 31 Ca 0.08 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.92 2dog n GLU 31 Cb 0.59 -0.79 -0.10 0.00 -0.02 0.00 0.00 31.44 31.13 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2dog s ARG 32 N -1.58 2.01 0.03 3.49 1.70 -1.26 -1.95 118.95 121.40 2dog s ARG 32 Ca 0.00 -2.20 -0.09 0.00 -0.47 0.00 0.00 55.73 52.97 2dog s ARG 32 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 34.95 32.90 2dog s ARG 32 CO 0.00 -0.19 0.17 0.14 -1.08 0.00 0.00 175.30 174.34 2dog s VAL 33 N -2.85 0.11 -0.21 4.99 -7.23 0.05 -4.80 120.40 110.47 2dog s VAL 33 Ca 0.24 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.48 2dog s VAL 33 Cb 0.07 -0.85 -0.01 0.00 0.56 0.00 0.00 36.38 36.15 2dog s VAL 33 CO 0.12 -0.50 -0.07 -0.47 -0.31 0.00 0.00 175.10 173.87 2dog s TYR 34 N -2.42 2.92 -0.79 2.82 5.04 -1.03 0.46 117.35 124.35 2dog s TYR 34 Ca -0.06 -1.00 -0.22 0.00 -2.44 0.00 0.00 57.07 53.35 2dog s TYR 34 Cb -0.02 -2.05 0.08 0.00 0.35 0.00 0.00 41.96 40.32 2dog s TYR 34 CO -0.03 -0.55 1.09 0.08 -1.34 0.00 0.00 175.55 174.81 2dog s VAL 35 N 1.33 4.36 -0.51 3.14 1.01 -0.64 -1.61 120.40 127.49 2dog s VAL 35 Ca 0.04 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 2dog s VAL 35 Cb -0.14 -4.78 -0.07 0.00 0.00 0.00 0.00 36.38 31.39 2dog s VAL 35 CO -0.04 -1.56 2.38 -0.70 0.00 0.00 0.00 175.10 175.19 2dog s GLU 36 N 3.84 2.10 0.00 2.72 2.56 -0.92 -2.13 118.70 126.88 2dog s GLU 36 Ca 0.29 1.34 0.00 0.00 0.00 0.00 0.00 54.97 56.61 2dog s GLU 36 Cb -0.10 -4.58 0.00 0.00 2.00 0.00 0.00 34.13 31.44 2dog s GLU 36 CO 0.02 -3.29 0.00 0.41 -0.56 0.00 0.00 175.26 171.84 2dog n GLY 37 N 6.01 4.37 0.07 -1.50 0.00 -1.26 -4.36 105.19 108.53 2dog n GLY 37 Ca 0.36 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2dog n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dog n HIS 38 N 0.00 0.00 -3.76 1.61 8.25 -0.91 -5.16 115.22 115.25 2dog n HIS 38 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2dog n HIS 38 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 2dog n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dog n GLY 39 N 3.57 0.97 3.75 -1.41 0.00 -1.18 -5.04 105.19 105.85 2dog n GLY 39 Ca 0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 2dog n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dog s TRP 40 N -2.59 3.81 0.38 1.61 0.52 -1.26 -1.62 118.94 119.79 2dog s TRP 40 Ca 0.16 1.80 0.04 0.00 0.02 0.00 0.00 56.10 58.13 2dog s TRP 40 Cb -0.04 -3.11 -0.06 0.00 -1.15 0.00 0.00 33.47 29.11 2dog s TRP 40 CO 0.10 0.03 0.05 1.03 0.02 0.00 0.00 176.95 178.18 2dog s ARG 41 N -0.91 1.84 0.20 4.98 1.81 0.17 -4.86 118.95 122.18 2dog s ARG 41 Ca 0.44 -2.06 0.10 0.00 -1.72 0.00 0.00 55.73 52.49 2dog s ARG 41 Cb -0.27 -1.15 -0.04 0.00 -0.45 0.00 0.00 34.95 33.03 2dog s ARG 41 CO 0.34 -0.20 -0.21 0.00 -0.68 0.00 0.00 175.30 174.55 2dog s ALA 42 N -3.06 2.35 -0.14 2.13 0.00 -1.26 -0.77 121.76 121.02 2dog s ALA 42 Ca 0.31 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 2dog s ALA 42 Cb 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2dog s ALA 42 CO 0.15 0.32 0.25 0.42 0.00 0.00 0.00 175.76 176.89 2dog s ILE 43 N -2.01 5.33 -0.18 0.00 1.01 -0.82 -1.13 121.20 123.40 2dog s ILE 43 Ca 0.20 0.45 -0.00 0.00 0.00 0.00 0.00 60.65 61.30 2dog s ILE 43 Cb -0.06 -3.57 -0.11 0.00 0.01 0.00 0.00 42.46 38.73 2dog s ILE 43 CO 0.09 0.47 -0.17 -0.62 0.00 0.00 0.00 174.94 174.71 2dog n GLU 44 N 3.00 0.43 -3.64 2.79 -0.58 -0.35 -4.87 120.64 117.42 2dog n GLU 44 Ca -0.15 0.11 -0.02 0.00 -0.42 0.00 0.00 57.16 56.68 2dog n GLU 44 Cb 0.53 -1.32 -0.05 0.00 -0.57 0.00 0.00 31.44 30.02 2dog n GLU 44 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2dog s ASP 45 N -5.86 -1.09 0.05 1.62 -1.08 -1.23 -5.03 116.67 104.03 2dog s ASP 45 Ca -0.24 1.55 -0.01 0.00 -0.52 0.00 0.00 52.55 53.33 2dog s ASP 45 Cb 0.07 2.07 -0.04 0.00 -1.46 0.00 0.00 42.92 43.56 2dog s ASP 45 CO 0.39 -0.22 -0.03 -1.48 0.52 0.00 0.00 175.17 174.35 2dog s LEU 46 N 2.58 2.44 -0.24 -1.34 0.05 -1.26 -1.51 118.68 119.39 2dog s LEU 46 Ca -0.07 -0.89 -0.27 0.00 0.05 0.00 0.00 54.13 52.95 2dog s LEU 46 Cb -0.10 0.16 0.12 0.00 -2.05 0.00 0.00 46.19 44.32 2dog s LEU 46 CO -0.19 -0.53 1.01 -0.72 -0.55 0.00 0.00 176.35 175.37 2dog s TYR 47 N -3.36 -0.45 -0.67 3.48 -0.85 -1.17 -5.01 117.35 109.32 2dog s TYR 47 Ca 0.02 1.00 -0.27 0.00 -0.52 0.00 0.00 57.07 57.30 2dog s TYR 47 Cb 0.04 0.39 0.02 0.00 0.38 0.00 0.00 41.96 42.79 2dog s TYR 47 CO -0.08 -0.27 1.33 -0.98 -1.52 0.00 0.00 175.55 174.03 2dog s ARG 48 N -0.21 3.23 -0.45 -3.49 1.70 -1.26 -2.15 118.95 116.32 2dog s ARG 48 Ca 0.01 0.03 -0.26 0.00 -0.47 0.00 0.00 55.73 55.04 2dog s ARG 48 Cb -0.03 -4.15 0.03 0.00 -0.57 0.00 0.00 34.95 30.22 2dog s ARG 48 CO -0.03 -2.07 0.93 0.08 -1.08 0.00 0.00 175.30 173.13 2dog s VAL 49 N 5.89 4.48 0.00 4.99 1.01 0.27 -4.83 120.40 132.22 2dog s VAL 49 Ca 0.42 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2dog s VAL 49 Cb -0.09 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.87 2dog s VAL 49 CO 0.19 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.10 2dog n GLY 50 N 4.86 0.77 1.04 4.51 0.00 -1.26 -0.59 105.19 114.52 2dog n GLY 50 Ca 0.06 0.57 -0.02 0.00 0.00 0.00 0.00 46.02 46.64 2dog n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dog n GLU 51 N 0.00 1.78 -4.01 1.61 1.02 -1.26 -5.02 120.64 114.76 2dog n GLU 51 Ca 0.00 -3.22 -0.12 0.00 -0.02 0.00 0.00 57.16 53.79 2dog n GLU 51 Cb 0.00 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 2dog n GLU 51 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dog s GLU 52 N -3.25 1.92 -0.00 3.49 2.02 0.24 -5.14 118.70 117.97 2dog s GLU 52 Ca 0.43 -1.60 0.03 0.00 0.02 0.00 0.00 54.97 53.85 2dog s GLU 52 Cb 0.40 0.49 -0.01 0.00 0.10 0.00 0.00 34.13 35.11 2dog s GLU 52 CO -0.02 -0.82 -0.11 -0.51 0.02 0.00 0.00 175.26 173.82 2dog s LEU 53 N -3.16 2.04 -0.29 1.80 1.43 -1.23 0.96 118.68 120.23 2dog s LEU 53 Ca 0.26 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2dog s LEU 53 Cb -0.01 -0.54 0.08 0.00 0.03 0.00 0.00 46.19 45.75 2dog s LEU 53 CO 0.16 0.11 0.02 -0.69 0.23 0.00 0.00 176.35 176.18 2dog s VAL 54 N -0.33 1.71 -0.10 -1.59 1.01 -0.91 0.80 120.40 120.99 2dog s VAL 54 Ca 0.03 -1.72 -0.15 0.00 0.00 0.00 0.00 61.98 60.14 2dog s VAL 54 Cb -0.05 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2dog s VAL 54 CO -0.00 -0.42 0.38 -0.69 0.00 0.00 0.00 175.10 174.37 2dog s VAL 55 N 1.24 5.19 -0.44 2.92 1.01 0.32 -3.07 120.40 127.57 2dog s VAL 55 Ca 0.04 0.75 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 2dog s VAL 55 Cb -0.19 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.58 2dog s VAL 55 CO -0.11 0.44 0.30 -1.00 0.00 0.00 0.00 175.10 174.73 2dog s HIS 56 N -0.02 3.35 0.55 5.22 3.76 -0.57 -1.65 115.29 125.93 2dog s HIS 56 Ca 0.22 -1.58 -0.19 0.00 -0.15 0.00 0.00 55.06 53.35 2dog s HIS 56 Cb -0.15 -3.17 -0.06 0.00 1.11 0.00 0.00 32.58 30.32 2dog s HIS 56 CO 0.09 -0.89 1.12 -0.51 -0.85 0.00 0.00 174.74 173.70 2dog s LEU 57 N 1.43 3.73 0.02 0.89 1.43 -1.26 -1.22 118.68 123.69 2dog s LEU 57 Ca 0.04 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 54.99 2dog s LEU 57 Cb -0.24 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.34 2dog s LEU 57 CO 0.02 -1.23 1.46 0.00 0.23 0.00 0.00 176.35 176.82 2dog s ALA 58 N -1.82 3.61 0.00 4.21 0.00 -0.28 -3.28 121.76 124.19 2dog s ALA 58 Ca 0.72 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2dog s ALA 58 Cb -0.23 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2dog s ALA 58 CO 0.28 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2dog n GLY 59 N 3.72 3.08 3.55 0.00 0.00 -1.26 -4.84 105.19 109.45 2dog n GLY 59 Ca 0.14 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 2dog n GLY 59 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dog n VAL 60 N 0.00 -0.08 -1.72 1.61 0.31 -1.21 -4.74 118.33 112.51 2dog n VAL 60 Ca 0.00 -0.76 0.06 0.00 -0.01 0.00 0.00 64.34 63.62 2dog n VAL 60 Cb 0.00 -2.69 0.17 0.00 -0.91 0.00 0.00 33.84 30.41 2dog n VAL 60 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2dog n THR 61 N 8.05 1.81 -3.53 2.52 -2.24 -1.26 -4.74 114.28 114.89 2dog n THR 61 Ca 0.39 -2.78 -0.17 0.00 -2.27 0.00 0.00 64.05 59.21 2dog n THR 61 Cb 0.53 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 2dog n THR 61 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2dog s ASP 62 N -2.99 -0.65 0.36 3.42 -4.77 -1.26 -4.79 116.67 105.99 2dog s ASP 62 Ca 0.36 0.75 0.12 0.00 -3.30 0.00 0.00 52.55 50.49 2dog s ASP 62 Cb 0.36 0.59 0.93 0.00 -1.09 0.00 0.00 42.92 43.71 2dog s ASP 62 CO -0.08 -0.57 1.78 -0.09 0.70 0.00 0.00 175.17 176.91 2dog h ARG 63 N 3.11 0.55 0.22 2.11 2.43 -1.90 -2.10 114.38 118.78 2dog h ARG 63 Ca -0.27 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2dog h ARG 63 Cb 1.14 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2dog h ARG 63 CO 0.36 0.36 -0.14 1.15 -1.51 0.00 0.00 179.97 180.20 2dog h THR 64 N 0.56 0.00 -0.99 0.20 2.02 -1.96 0.14 112.91 112.89 2dog h THR 64 Ca 0.57 0.00 0.29 0.00 0.77 0.00 0.00 66.41 68.04 2dog h THR 64 Cb 1.17 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.44 2dog h THR 64 CO -0.33 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.03 2dog h LEU 65 N -0.33 0.50 0.67 2.58 3.38 -1.88 -1.47 115.31 118.75 2dog h LEU 65 Ca -0.03 0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2dog h LEU 65 Cb 0.27 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2dog h LEU 65 CO 0.02 -0.07 -0.32 0.00 0.09 0.00 0.00 178.44 178.16 2dog h ALA 66 N 1.81 -1.04 -1.31 1.53 0.00 -1.14 -2.97 119.26 116.14 2dog h ALA 66 Ca 0.69 -0.20 0.42 0.00 0.00 0.00 0.00 54.91 55.82 2dog h ALA 66 Cb 1.49 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 19.51 2dog h ALA 66 CO -0.58 -0.98 0.85 0.93 0.00 0.00 0.00 179.25 179.48 2dog h GLU 67 N -1.06 0.11 -0.93 0.00 5.08 0.27 1.05 114.58 119.10 2dog h GLU 67 Ca -0.09 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2dog h GLU 67 Cb 0.69 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2dog h GLU 67 CO 0.15 0.08 0.61 0.00 -1.00 0.00 0.00 179.01 178.84 2dog h ALA 68 N 1.57 1.32 -0.82 3.43 0.00 -1.19 -1.75 119.26 121.83 2dog h ALA 68 Ca 0.79 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 55.29 2dog h ALA 68 Cb 2.48 -0.38 -0.20 0.00 0.00 0.00 0.00 17.79 19.69 2dog h ALA 68 CO -0.38 0.62 0.43 1.28 0.00 0.00 0.00 179.25 181.21 2dog n LEU 69 N -4.39 6.19 -4.54 0.00 4.77 0.36 -4.90 117.00 114.49 2dog n LEU 69 Ca 0.11 -3.26 -0.38 0.00 -0.03 0.00 0.00 56.01 52.44 2dog n LEU 69 Cb 0.02 -0.78 -0.11 0.00 -2.33 0.00 0.00 43.42 40.23 2dog n LEU 69 CO 0.37 0.89 -0.19 -0.69 -1.33 0.00 0.00 177.39 176.45 2dog s VAL 70 N -2.95 5.06 0.00 4.08 1.01 -0.66 -4.38 120.40 122.56 2dog s VAL 70 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2dog s VAL 70 Cb 0.43 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2dog s VAL 70 CO 0.12 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2dog n GLY 71 N 5.04 2.79 3.53 4.51 0.00 -1.23 -5.02 105.19 114.82 2dog n GLY 71 Ca -0.14 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 2dog n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dog s LEU 72 N 0.00 0.82 -0.04 0.99 1.43 -1.26 -4.65 118.68 115.97 2dog s LEU 72 Ca 0.00 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2dog s LEU 72 Cb 0.00 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 2dog s LEU 72 CO 0.00 -4.01 -0.04 -0.13 0.23 0.00 0.00 176.35 172.40 2dog s ARG 73 N -4.71 2.76 -0.11 1.70 3.00 -1.26 -2.28 118.95 118.06 2dog s ARG 73 Ca 0.68 -0.57 -0.15 0.00 0.00 0.00 0.00 55.73 55.68 2dog s ARG 73 Cb -0.21 -2.63 -0.05 0.00 0.00 0.00 0.00 34.95 32.06 2dog s ARG 73 CO 0.62 0.65 0.38 0.08 0.00 0.00 0.00 175.30 177.03 2dog s VAL 74 N -0.93 5.20 0.13 3.52 1.01 -0.46 -2.16 120.40 126.71 2dog s VAL 74 Ca 0.15 0.76 0.06 0.00 0.00 0.00 0.00 61.98 62.95 2dog s VAL 74 Cb -0.11 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2dog s VAL 74 CO 0.05 0.42 0.02 -0.31 0.00 0.00 0.00 175.10 175.28 2dog s TYR 75 N 0.11 2.97 0.32 5.22 1.51 -0.63 -3.02 117.35 123.83 2dog s TYR 75 Ca 0.22 -0.07 0.10 0.00 -1.01 0.00 0.00 57.07 56.31 2dog s TYR 75 Cb -0.15 -1.47 -0.06 0.00 -0.11 0.00 0.00 41.96 40.17 2dog s TYR 75 CO 0.08 0.50 -0.13 0.00 -1.11 0.00 0.00 175.55 174.90 2dog s ALA 76 N -1.55 2.83 -0.15 3.71 0.00 0.61 -2.47 121.76 124.74 2dog s ALA 76 Ca 0.27 -2.00 0.01 0.00 0.00 0.00 0.00 51.96 50.24 2dog s ALA 76 Cb -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2dog s ALA 76 CO 0.19 0.13 -0.19 -2.00 0.00 0.00 0.00 175.76 173.90 2dog s GLU 77 N -3.59 2.73 0.42 0.00 2.12 -1.26 -1.81 118.70 117.31 2dog s GLU 77 Ca 0.31 -0.74 0.14 0.00 0.36 0.00 0.00 54.97 55.04 2dog s GLU 77 Cb 0.00 -2.33 1.01 0.00 0.26 0.00 0.00 34.13 33.07 2dog s GLU 77 CO 0.15 -0.14 1.95 0.28 -0.54 0.00 0.00 175.26 176.96 2dog h VAL 78 N 5.94 0.87 -1.41 3.70 2.07 -1.94 -1.60 116.25 123.88 2dog h VAL 78 Ca -0.38 -0.15 0.44 0.00 0.82 0.00 0.00 66.70 67.42 2dog h VAL 78 Cb 1.16 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.20 2dog h VAL 78 CO 0.57 0.08 0.94 0.00 0.02 0.00 0.00 177.57 179.19 2dog h ALA 79 N 1.67 2.95 0.06 1.67 0.00 -1.95 0.11 119.26 123.77 2dog h ALA 79 Ca 0.32 0.06 -0.38 0.00 0.00 0.00 0.00 54.91 54.92 2dog h ALA 79 Cb 0.64 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2dog h ALA 79 CO -0.10 -1.53 -2.24 -0.25 0.00 0.00 0.00 179.25 175.14 2dog n ASP 80 N -4.51 2.05 -3.78 0.00 8.00 -0.62 -4.98 116.55 112.71 2dog n ASP 80 Ca 0.37 0.04 -0.36 0.00 0.71 0.00 0.00 54.79 55.54 2dog n ASP 80 Cb 1.49 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 2dog n ASP 80 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dog n LEU 81 N -3.38 -2.71 -4.73 0.64 4.77 0.37 -4.90 117.00 107.05 2dog n LEU 81 Ca -0.39 0.68 -0.30 0.00 -0.03 0.00 0.00 56.01 55.97 2dog n LEU 81 Cb 1.02 -0.77 0.13 0.00 -2.33 0.00 0.00 43.42 41.46 2dog n LEU 81 CO 0.34 -3.84 0.68 -2.16 -1.33 0.00 0.00 177.39 171.08 2dog s PRO 82 N -0.88 1.51 0.00 3.23 0.04 -1.26 -4.99 135.00 132.65 2dog s PRO 82 Ca 0.52 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2dog s PRO 82 Cb -0.53 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2dog s PRO 82 CO 0.56 -2.09 0.00 -0.35 0.04 0.00 0.00 177.00 175.16 2dog n PRO 83 N -3.79 -0.08 0.00 0.56 -0.04 -1.26 -4.91 135.00 125.47 2dog n PRO 83 Ca 0.07 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.68 2dog n PRO 83 Cb 0.55 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.73 2dog n PRO 83 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2dog n LEU 84 N 0.00 0.67 -0.31 1.53 -0.00 -1.26 -5.29 117.00 112.34 2dog n LEU 84 Ca 0.00 -0.19 0.15 0.00 -0.00 0.00 0.00 56.01 55.96 2dog n LEU 84 Cb 0.00 -0.03 0.67 0.00 -0.00 0.00 0.00 43.42 44.06 2dog n LEU 84 CO 0.00 0.11 0.95 -0.62 -0.00 0.00 0.00 177.39 177.84