#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 2.43 0.20 0.03 0.52 -1.26 -4.94 118.95 115.93 2dog s ARG 2 Ca 0.00 0.45 0.11 0.00 -0.52 0.00 0.00 55.73 55.76 2dog s ARG 2 Cb 0.00 -4.65 -0.04 0.00 0.52 0.00 0.00 34.95 30.77 2dog s ARG 2 CO 0.00 -3.16 -0.20 -0.51 0.02 0.00 0.00 175.30 171.45 2dog s LEU 3 N 10.35 2.60 -0.07 2.53 1.43 -1.26 -3.87 118.68 130.39 2dog s LEU 3 Ca 0.75 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2dog s LEU 3 Cb -0.11 -1.30 0.04 0.00 0.03 0.00 0.00 46.19 44.84 2dog s LEU 3 CO 0.14 0.11 0.15 0.68 0.23 0.00 0.00 176.35 177.66 2dog s VAL 4 N -1.73 -0.07 0.13 -1.59 -7.23 -0.80 -4.92 120.40 104.20 2dog s VAL 4 Ca 0.22 0.19 -0.31 0.00 -1.81 0.00 0.00 61.98 60.28 2dog s VAL 4 Cb -0.08 -0.25 -0.09 0.00 0.56 0.00 0.00 36.38 36.52 2dog s VAL 4 CO 0.12 0.08 1.50 -0.70 -0.31 0.00 0.00 175.10 175.79 2dog s GLU 5 N 1.27 4.25 -0.09 4.82 2.12 -1.26 -0.69 118.70 129.12 2dog s GLU 5 Ca -0.08 2.24 0.01 0.00 0.36 0.00 0.00 54.97 57.49 2dog s GLU 5 Cb -0.12 -3.24 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 2dog s GLU 5 CO -0.06 -0.55 -0.08 0.44 -0.54 0.00 0.00 175.26 174.46 2dog n ILE 6 N 4.05 0.52 -3.81 -3.70 -5.35 -1.15 -4.93 119.36 104.98 2dog n ILE 6 Ca 0.13 -0.20 -0.09 0.00 -0.27 0.00 0.00 62.75 62.33 2dog n ILE 6 Cb 0.40 -0.84 0.02 0.00 -1.74 0.00 0.00 39.64 37.48 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 -4.88 0.34 0.01 3.28 0.00 -1.25 -0.72 107.32 104.11 2dog s GLY 7 Ca -0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 2dog s GLY 7 CO 0.21 -0.30 -0.01 -1.60 0.00 0.00 0.00 173.10 171.40 2dog s ARG 8 N -2.41 0.28 0.37 2.90 3.52 -0.68 -1.66 118.95 121.28 2dog s ARG 8 Ca 0.15 -0.50 -0.26 0.00 -0.13 0.00 0.00 55.73 55.00 2dog s ARG 8 Cb -0.05 0.10 -0.09 0.00 -1.56 0.00 0.00 34.95 33.35 2dog s ARG 8 CO 0.11 -0.05 1.14 -0.06 -0.81 0.00 0.00 175.30 175.64 2dog s PHE 9 N -1.23 3.19 0.00 5.12 0.08 -1.15 -1.43 117.98 122.55 2dog s PHE 9 Ca -0.13 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2dog s PHE 9 Cb -0.08 -3.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.02 2dog s PHE 9 CO -0.01 -1.10 0.00 0.41 -0.10 0.00 0.00 175.22 174.43 2dog n GLY 10 N 0.69 -0.15 3.18 4.36 0.00 0.15 -4.05 105.19 109.36 2dog n GLY 10 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.05 1.15 -0.44 4.61 0.00 -1.26 -4.64 121.76 118.14 2dog s ALA 11 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 50.53 2dog s ALA 11 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2dog s ALA 11 CO 0.00 0.02 1.76 -1.25 0.00 0.00 0.00 175.76 176.28 2dog s PRO 12 N -2.54 3.13 1.09 0.00 0.04 -1.26 -2.02 135.00 133.44 2dog s PRO 12 Ca 0.04 1.06 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 2dog s PRO 12 Cb -0.05 -4.23 0.18 0.00 0.04 0.00 0.00 34.50 30.44 2dog s PRO 12 CO 0.01 -2.11 0.30 0.98 0.04 0.00 0.00 177.00 176.22 2dog n TYR 13 N 10.89 -2.28 -0.99 0.56 9.36 0.44 -4.86 117.16 130.29 2dog n TYR 13 Ca 0.21 -0.07 -0.36 0.00 3.32 0.00 0.00 57.90 61.00 2dog n TYR 13 Cb 0.49 -1.42 0.04 0.00 -0.63 0.00 0.00 39.34 37.82 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 -4.58 -5.40 -0.29 2.98 0.00 -1.26 -4.38 120.51 107.57 2dog n ALA 14 Ca 0.05 -0.79 0.34 0.00 0.00 0.00 0.00 53.44 53.05 2dog n ALA 14 Cb 0.45 -1.13 0.70 0.00 0.00 0.00 0.00 19.45 19.47 2dog n ALA 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dog h LEU 15 N -1.04 0.00 -1.48 0.00 3.38 -1.95 -0.76 115.31 113.47 2dog h LEU 15 Ca -0.43 0.00 0.43 0.00 0.09 0.00 0.00 57.88 57.97 2dog h LEU 15 Cb 1.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 2dog h LEU 15 CO 0.23 0.00 1.23 0.29 0.09 0.00 0.00 178.44 180.28 2dog n LYS 16 N -3.84 0.00 0.00 1.13 4.76 -1.26 -3.77 118.16 115.18 2dog n LYS 16 Ca 0.25 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.65 2dog n LYS 16 Cb 1.33 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.76 1.80 3.94 0.72 0.00 -0.29 -4.39 105.19 105.20 2dog n GLY 17 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 2dog n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dog s GLY 18 N -2.00 1.72 -0.11 -0.02 0.00 -1.23 -4.44 107.32 101.25 2dog s GLY 18 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2dog s GLY 18 CO 0.00 -0.97 -0.09 1.08 0.00 0.00 0.00 173.10 173.12 2dog s LEU 19 N -3.28 1.32 -0.45 0.66 1.43 -0.70 0.17 118.68 117.83 2dog s LEU 19 Ca 0.36 -0.32 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 2dog s LEU 19 Cb -0.11 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 2dog s LEU 19 CO 0.29 -0.08 2.12 -0.13 0.23 0.00 0.00 176.35 178.78 2dog s ARG 20 N 1.46 2.63 -0.37 1.70 0.52 -0.86 -0.24 118.95 123.80 2dog s ARG 20 Ca 0.01 1.30 -0.10 0.00 -0.52 0.00 0.00 55.73 56.42 2dog s ARG 20 Cb -0.13 -4.43 0.03 0.00 0.52 0.00 0.00 34.95 30.94 2dog s ARG 20 CO -0.06 -2.68 0.19 0.12 0.02 0.00 0.00 175.30 172.89 2dog s PHE 21 N 9.76 3.25 -0.66 -0.53 5.36 0.28 0.30 117.98 135.73 2dog s PHE 21 Ca 0.87 -1.07 -0.17 0.00 -0.96 0.00 0.00 56.93 55.60 2dog s PHE 21 Cb -0.19 -2.41 0.14 0.00 -0.34 0.00 0.00 43.02 40.22 2dog s PHE 21 CO 0.27 -0.67 0.69 0.50 -1.46 0.00 0.00 175.22 174.56 2dog s ARG 22 N 1.52 3.20 0.26 10.12 3.52 -0.52 -3.93 118.95 133.13 2dog s ARG 22 Ca 0.01 -1.73 0.00 0.00 -0.13 0.00 0.00 55.73 53.88 2dog s ARG 22 Cb -0.19 -4.37 -0.03 0.00 -1.56 0.00 0.00 34.95 28.80 2dog s ARG 22 CO 0.06 -1.44 0.25 0.20 -0.81 0.00 0.00 175.30 173.56 2dog s GLY 23 N 3.30 1.66 0.82 8.12 0.00 -1.26 -1.69 107.32 118.27 2dog s GLY 23 Ca 0.12 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.96 2dog s GLY 23 CO 0.01 -1.31 0.35 1.18 0.00 0.00 0.00 173.10 173.32 2dog n GLU 24 N -0.43 0.06 0.11 2.90 -0.58 0.10 -4.85 120.64 117.95 2dog n GLU 24 Ca 0.03 0.06 0.11 0.00 -0.42 0.00 0.00 57.16 56.94 2dog n GLU 24 Cb 0.64 -1.74 0.46 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.70 0.16 0.04 3.49 -0.04 -1.26 -2.58 135.00 134.11 2dog n PRO 25 Ca 0.08 0.39 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 2dog n PRO 25 Cb 0.52 -1.80 0.31 0.00 -0.04 0.00 0.00 33.50 32.48 2dog n PRO 25 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dog n VAL 26 N -2.10 1.17 0.27 0.52 3.14 -1.26 -2.12 118.33 117.96 2dog n VAL 26 Ca 0.02 0.34 0.16 0.00 -2.96 0.00 0.00 64.34 61.90 2dog n VAL 26 Cb 0.22 -1.20 0.73 0.00 -1.06 0.00 0.00 33.84 32.52 2dog n VAL 26 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 2dog h VAL 27 N 0.00 0.25 0.00 1.55 3.04 -1.84 -2.24 116.25 117.01 2dog h VAL 27 Ca 0.00 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2dog h VAL 27 Cb 0.20 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2dog h VAL 27 CO 0.00 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 176.81 2dog n LEU 28 N -3.28 0.00 -0.51 3.16 4.77 -0.90 -1.31 117.00 118.92 2dog n LEU 28 Ca -0.01 0.43 0.05 0.00 -0.03 0.00 0.00 56.01 56.45 2dog n LEU 28 Cb 0.28 -0.43 0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2dog n LEU 28 CO 0.28 -0.27 0.54 1.41 -1.33 0.00 0.00 177.39 178.02 2dog n HIS 29 N -1.43 0.26 -2.73 -1.77 8.25 -0.84 -5.01 115.22 111.94 2dog n HIS 29 Ca 0.04 -0.30 -0.22 0.00 -0.26 0.00 0.00 57.72 56.98 2dog n HIS 29 Cb 0.11 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.94 3.38 0.00 2.41 1.43 -0.43 -4.87 118.68 119.66 2dog s LEU 30 Ca 0.17 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2dog s LEU 30 Cb 0.10 -2.97 0.00 0.00 0.03 0.00 0.00 46.19 43.35 2dog s LEU 30 CO 0.14 -1.01 0.00 -0.62 0.23 0.00 0.00 176.35 175.08 2dog n GLU 31 N -2.27 0.00 -4.47 1.70 -0.58 -1.26 -5.04 120.64 108.71 2dog n GLU 31 Ca 0.06 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.57 2dog n GLU 31 Cb 0.59 -0.66 -0.10 0.00 -0.57 0.00 0.00 31.44 30.70 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2dog s ARG 32 N -1.96 1.65 0.36 3.49 1.70 -1.26 -1.93 118.95 121.00 2dog s ARG 32 Ca 0.00 -1.82 0.04 0.00 -0.47 0.00 0.00 55.73 53.48 2dog s ARG 32 Cb 0.00 -1.46 -0.03 0.00 -0.57 0.00 0.00 34.95 32.89 2dog s ARG 32 CO 0.00 0.14 0.14 0.14 -1.08 0.00 0.00 175.30 174.64 2dog s VAL 33 N -2.78 0.53 -0.13 4.99 -7.23 0.15 -4.83 120.40 111.10 2dog s VAL 33 Ca 0.30 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2dog s VAL 33 Cb 0.01 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2dog s VAL 33 CO 0.14 0.00 -0.05 -0.47 -0.31 0.00 0.00 175.10 174.40 2dog s TYR 34 N -3.36 1.44 -0.80 2.82 5.04 -1.12 -1.48 117.35 119.88 2dog s TYR 34 Ca 0.30 -0.79 -0.22 0.00 -2.44 0.00 0.00 57.07 53.92 2dog s TYR 34 Cb 0.04 -1.20 0.08 0.00 0.35 0.00 0.00 41.96 41.23 2dog s TYR 34 CO 0.17 -0.53 1.13 0.08 -1.34 0.00 0.00 175.55 175.06 2dog s VAL 35 N 1.72 4.28 -0.52 3.14 1.01 -0.60 -2.01 120.40 127.41 2dog s VAL 35 Ca 0.03 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2dog s VAL 35 Cb -0.14 -4.81 -0.08 0.00 0.00 0.00 0.00 36.38 31.36 2dog s VAL 35 CO -0.08 -1.61 2.43 1.21 0.00 0.00 0.00 175.10 177.05 2dog n GLU 36 N 7.84 0.99 0.00 2.72 2.13 -0.74 -2.17 120.64 131.40 2dog n GLU 36 Ca 0.11 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2dog n GLU 36 Cb 0.48 -3.39 0.00 0.00 0.27 0.00 0.00 31.44 28.79 2dog n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dog n GLY 37 N 6.05 3.89 0.08 8.31 0.00 -1.26 -4.34 105.19 117.92 2dog n GLY 37 Ca 0.38 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.78 1.61 8.25 -0.92 -5.15 115.22 115.23 2dog n HIS 38 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 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 3.19 0.96 3.68 -1.41 0.00 -1.18 -5.04 105.19 105.38 2dog n GLY 39 Ca 0.00 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.41 3.33 0.22 1.61 0.52 -1.26 -1.56 118.94 119.38 2dog s TRP 40 Ca 0.16 1.41 0.08 0.00 0.02 0.00 0.00 56.10 57.77 2dog s TRP 40 Cb -0.04 -3.30 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 2dog s TRP 40 CO 0.10 -0.72 0.03 1.03 0.02 0.00 0.00 176.95 177.42 2dog s ARG 41 N 2.42 2.44 0.15 4.98 1.81 -0.55 -4.88 118.95 125.33 2dog s ARG 41 Ca 0.50 -1.22 0.05 0.00 -1.72 0.00 0.00 55.73 53.34 2dog s ARG 41 Cb -0.20 -2.31 -0.04 0.00 -0.45 0.00 0.00 34.95 31.95 2dog s ARG 41 CO 0.17 0.41 0.10 0.00 -0.68 0.00 0.00 175.30 175.29 2dog s ALA 42 N -2.03 3.49 -0.09 2.13 0.00 -1.26 0.29 121.76 124.29 2dog s ALA 42 Ca 0.30 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 2dog s ALA 42 Cb -0.08 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 2dog s ALA 42 CO 0.20 0.55 0.40 0.42 0.00 0.00 0.00 175.76 177.33 2dog s ILE 43 N -1.66 5.17 -0.13 0.00 1.01 -0.81 -1.36 121.20 123.42 2dog s ILE 43 Ca 0.30 0.80 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 2dog s ILE 43 Cb -0.10 -3.73 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 2dog s ILE 43 CO 0.22 0.43 -0.13 -0.62 0.00 0.00 0.00 174.94 174.83 2dog n GLU 44 N 3.04 0.31 -3.66 2.79 -0.58 -0.84 -4.85 120.64 116.85 2dog n GLU 44 Ca -0.11 0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.60 2dog n GLU 44 Cb 0.52 -1.16 -0.08 0.00 -0.57 0.00 0.00 31.44 30.15 2dog n GLU 44 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2dog s ASP 45 N -5.56 -0.71 0.03 1.62 1.01 -1.23 -5.03 116.67 106.81 2dog s ASP 45 Ca -0.18 1.30 -0.22 0.00 0.71 0.00 0.00 52.55 54.16 2dog s ASP 45 Cb 0.05 1.27 0.05 0.00 1.01 0.00 0.00 42.92 45.30 2dog s ASP 45 CO 0.27 -0.22 0.50 -1.48 0.21 0.00 0.00 175.17 174.45 2dog s LEU 46 N 0.70 0.03 -0.23 1.23 0.05 -1.26 0.03 118.68 119.23 2dog s LEU 46 Ca -0.03 0.18 -0.26 0.00 0.05 0.00 0.00 54.13 54.07 2dog s LEU 46 Cb -0.05 2.03 0.08 0.00 -2.05 0.00 0.00 46.19 46.20 2dog s LEU 46 CO -0.05 -0.68 0.78 -0.72 -0.55 0.00 0.00 176.35 175.13 2dog s TYR 47 N -2.27 -0.69 -0.75 3.48 -0.85 -1.17 -5.00 117.35 110.10 2dog s TYR 47 Ca -0.06 1.59 -0.26 0.00 -0.52 0.00 0.00 57.07 57.82 2dog s TYR 47 Cb -0.01 0.32 0.02 0.00 0.38 0.00 0.00 41.96 42.67 2dog s TYR 47 CO -0.00 -0.40 1.44 -0.98 -1.52 0.00 0.00 175.55 174.09 2dog s ARG 48 N -0.00 3.10 -0.61 -3.49 1.70 -1.26 -2.11 118.95 116.27 2dog s ARG 48 Ca -0.02 -0.18 -0.28 0.00 -0.47 0.00 0.00 55.73 54.79 2dog s ARG 48 Cb -0.04 -4.39 0.03 0.00 -0.57 0.00 0.00 34.95 29.98 2dog s ARG 48 CO 0.01 -2.32 1.22 0.08 -1.08 0.00 0.00 175.30 173.21 2dog s VAL 49 N 6.48 3.96 0.00 4.99 1.01 0.28 -4.80 120.40 132.32 2dog s VAL 49 Ca 0.44 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2dog s VAL 49 Cb -0.08 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.55 2dog s VAL 49 CO 0.13 -1.43 0.00 0.61 0.00 0.00 0.00 175.10 174.41 2dog n GLY 50 N 5.12 0.64 1.12 4.51 0.00 -1.26 -0.81 105.19 114.50 2dog n GLY 50 Ca 0.08 0.58 -0.03 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 1.89 -4.03 1.61 1.02 -1.26 -5.01 120.64 114.86 2dog n GLU 51 Ca 0.00 -3.16 -0.13 0.00 -0.02 0.00 0.00 57.16 53.85 2dog n GLU 51 Cb 0.00 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 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 -3.22 1.89 -0.00 3.49 2.02 0.01 -5.14 118.70 117.75 2dog s GLU 52 Ca 0.44 -1.62 0.03 0.00 0.02 0.00 0.00 54.97 53.83 2dog s GLU 52 Cb 0.40 0.47 -0.01 0.00 0.10 0.00 0.00 34.13 35.09 2dog s GLU 52 CO 0.00 -0.80 -0.09 -0.51 0.02 0.00 0.00 175.26 173.88 2dog s LEU 53 N -3.17 2.04 -0.30 1.80 1.43 -1.25 0.10 118.68 119.33 2dog s LEU 53 Ca 0.27 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2dog s LEU 53 Cb -0.01 -0.45 0.09 0.00 0.03 0.00 0.00 46.19 45.85 2dog s LEU 53 CO 0.17 0.08 0.03 -0.69 0.23 0.00 0.00 176.35 176.17 2dog s VAL 54 N -0.32 1.71 -0.10 -1.59 1.01 -0.90 0.98 120.40 121.20 2dog s VAL 54 Ca 0.03 -1.77 -0.15 0.00 0.00 0.00 0.00 61.98 60.08 2dog s VAL 54 Cb -0.04 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 2dog s VAL 54 CO -0.00 -0.46 0.38 -0.69 0.00 0.00 0.00 175.10 174.33 2dog s VAL 55 N 1.23 5.19 -0.46 2.92 1.01 0.66 -3.02 120.40 127.94 2dog s VAL 55 Ca 0.05 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 2dog s VAL 55 Cb -0.19 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.58 2dog s VAL 55 CO -0.12 0.43 0.33 -1.00 0.00 0.00 0.00 175.10 174.75 2dog s HIS 56 N 0.02 3.34 0.54 5.22 3.76 0.10 -1.72 115.29 126.56 2dog s HIS 56 Ca 0.22 -1.51 -0.19 0.00 -0.15 0.00 0.00 55.06 53.42 2dog s HIS 56 Cb -0.15 -3.25 -0.06 0.00 1.11 0.00 0.00 32.58 30.23 2dog s HIS 56 CO 0.09 -0.91 1.11 -0.51 -0.85 0.00 0.00 174.74 173.67 2dog s LEU 57 N 1.46 3.75 0.11 0.89 1.43 -1.26 -1.98 118.68 123.07 2dog s LEU 57 Ca 0.04 2.12 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 2dog s LEU 57 Cb -0.25 -4.57 -0.08 0.00 0.03 0.00 0.00 46.19 41.31 2dog s LEU 57 CO 0.02 -1.16 1.51 0.00 0.23 0.00 0.00 176.35 176.95 2dog s ALA 58 N -1.85 3.68 0.00 4.21 0.00 -0.47 -2.71 121.76 124.63 2dog s ALA 58 Ca 0.71 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2dog s ALA 58 Cb -0.22 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2dog s ALA 58 CO 0.26 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2dog n GLY 59 N 3.71 3.04 3.56 0.00 0.00 -1.26 -4.83 105.19 109.41 2dog n GLY 59 Ca 0.13 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2dog n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dog s VAL 60 N -1.25 3.63 0.00 1.61 1.01 -1.10 -4.73 120.40 119.56 2dog s VAL 60 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2dog s VAL 60 Cb 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.92 2dog s VAL 60 CO 0.00 -1.34 0.79 0.35 0.00 0.00 0.00 175.10 174.90 2dog n THR 61 N 6.79 0.61 -4.06 3.92 -2.24 -1.26 -4.60 114.28 113.45 2dog n THR 61 Ca 0.11 -0.67 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2dog n THR 61 Cb 0.50 0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 69.35 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 -0.61 0.73 0.39 3.42 1.47 -1.25 -3.93 116.67 116.88 2dog s ASP 62 Ca 0.00 -0.66 0.12 0.00 1.18 0.00 0.00 52.55 53.19 2dog s ASP 62 Cb 0.00 0.08 0.92 0.00 -0.34 0.00 0.00 42.92 43.58 2dog s ASP 62 CO 0.00 -0.31 1.89 -0.09 0.68 0.00 0.00 175.17 177.35 2dog h ARG 63 N 4.15 0.55 0.10 2.11 2.43 -1.85 -2.28 114.38 119.60 2dog h ARG 63 Ca -0.35 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2dog h ARG 63 Cb 1.19 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2dog h ARG 63 CO 0.47 0.37 -0.05 1.15 -1.51 0.00 0.00 179.97 180.39 2dog h THR 64 N 0.57 0.00 -1.02 0.20 2.02 -1.96 0.18 112.91 112.90 2dog h THR 64 Ca 0.41 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.91 2dog h THR 64 Cb 0.77 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.04 2dog h THR 64 CO -0.17 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.25 2dog h LEU 65 N -0.14 0.52 0.62 2.58 3.38 -1.94 -0.70 115.31 119.64 2dog h LEU 65 Ca -0.01 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2dog h LEU 65 Cb 0.11 0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.98 2dog h LEU 65 CO 0.02 -0.09 -0.30 0.00 0.09 0.00 0.00 178.44 178.16 2dog h ALA 66 N 1.81 -0.84 -1.23 1.53 0.00 -1.23 -2.98 119.26 116.32 2dog h ALA 66 Ca 0.72 -0.21 0.36 0.00 0.00 0.00 0.00 54.91 55.79 2dog h ALA 66 Cb 1.66 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 19.67 2dog h ALA 66 CO -0.56 -0.84 0.81 0.93 0.00 0.00 0.00 179.25 179.59 2dog h GLU 67 N -1.10 0.18 -0.60 0.00 5.08 0.84 0.83 114.58 119.81 2dog h GLU 67 Ca -0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2dog h GLU 67 Cb 0.69 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2dog h GLU 67 CO 0.14 0.12 0.25 0.00 -1.00 0.00 0.00 179.01 178.52 2dog h ALA 68 N 1.54 1.33 -0.73 3.43 0.00 -1.20 -1.96 119.26 121.67 2dog h ALA 68 Ca 0.69 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 55.17 2dog h ALA 68 Cb 2.17 -0.24 -0.17 0.00 0.00 0.00 0.00 17.79 19.55 2dog h ALA 68 CO -0.27 0.51 0.36 1.28 0.00 0.00 0.00 179.25 181.13 2dog n LEU 69 N -4.33 5.82 -4.64 0.00 4.77 0.28 -4.91 117.00 113.99 2dog n LEU 69 Ca 0.05 -3.05 -0.36 0.00 -0.03 0.00 0.00 56.01 52.62 2dog n LEU 69 Cb 0.15 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.40 2dog n LEU 69 CO 0.38 0.83 -0.20 -0.69 -1.33 0.00 0.00 177.39 176.39 2dog s VAL 70 N -2.72 5.16 0.00 4.08 1.01 -0.74 -4.34 120.40 122.86 2dog s VAL 70 Ca 0.48 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2dog s VAL 70 Cb 0.39 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2dog s VAL 70 CO 0.11 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2dog n GLY 71 N 4.10 1.38 3.81 4.51 0.00 -1.26 -5.03 105.19 112.70 2dog n GLY 71 Ca -0.16 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 2.52 0.13 0.99 1.43 -1.26 -4.82 118.68 117.67 2dog s LEU 72 Ca 0.00 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 2dog s LEU 72 Cb 0.00 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 2dog s LEU 72 CO 0.00 -2.04 0.17 -0.13 0.23 0.00 0.00 176.35 174.59 2dog s ARG 73 N -5.18 3.10 -0.16 1.70 0.52 -1.26 -2.96 118.95 114.71 2dog s ARG 73 Ca 0.61 -0.72 -0.05 0.00 -0.52 0.00 0.00 55.73 55.06 2dog s ARG 73 Cb -0.14 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 2dog s ARG 73 CO 0.54 0.52 -0.00 0.08 0.02 0.00 0.00 175.30 176.46 2dog s VAL 74 N -1.65 4.22 0.17 3.52 1.01 -0.66 -1.79 120.40 125.21 2dog s VAL 74 Ca 0.32 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.10 2dog s VAL 74 Cb -0.11 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2dog s VAL 74 CO 0.25 0.49 0.15 -0.31 0.00 0.00 0.00 175.10 175.69 2dog s TYR 75 N 0.25 3.18 0.28 5.22 1.51 -0.85 -2.95 117.35 123.98 2dog s TYR 75 Ca -0.00 -0.01 0.11 0.00 -1.01 0.00 0.00 57.07 56.15 2dog s TYR 75 Cb -0.13 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.15 2dog s TYR 75 CO 0.02 0.52 -0.11 0.00 -1.11 0.00 0.00 175.55 174.86 2dog s ALA 76 N -1.78 2.93 -0.15 3.71 0.00 0.13 -2.81 121.76 123.80 2dog s ALA 76 Ca 0.31 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.48 2dog s ALA 76 Cb -0.10 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.58 2dog s ALA 76 CO 0.24 0.26 -0.19 -2.00 0.00 0.00 0.00 175.76 174.07 2dog s GLU 77 N -3.58 3.09 0.59 0.00 2.12 -1.26 -1.91 118.70 117.75 2dog s GLU 77 Ca 0.31 -0.81 0.29 0.00 0.36 0.00 0.00 54.97 55.12 2dog s GLU 77 Cb -0.05 -2.54 1.75 0.00 0.26 0.00 0.00 34.13 33.55 2dog s GLU 77 CO 0.17 -0.04 2.21 0.28 -0.54 0.00 0.00 175.26 177.33 2dog h VAL 78 N 5.78 0.53 -0.47 3.70 2.07 -1.92 -1.28 116.25 124.66 2dog h VAL 78 Ca -0.35 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.29 2dog h VAL 78 Cb 1.18 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2dog h VAL 78 CO 0.57 0.00 0.33 0.00 0.02 0.00 0.00 177.57 178.50 2dog h ALA 79 N 1.93 2.35 0.08 1.67 0.00 -1.94 -2.50 119.26 120.84 2dog h ALA 79 Ca 0.03 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 2dog h ALA 79 Cb 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2dog h ALA 79 CO -0.00 -0.47 -2.16 -0.25 0.00 0.00 0.00 179.25 176.36 2dog n ASP 80 N -4.42 2.07 -4.63 0.00 8.00 -0.51 -4.96 116.55 112.10 2dog n ASP 80 Ca 0.08 0.09 -0.40 0.00 0.71 0.00 0.00 54.79 55.27 2dog n ASP 80 Cb 0.49 -0.71 0.03 0.00 -0.02 0.00 0.00 41.12 40.91 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 -3.45 3.30 -4.68 0.64 4.77 -0.94 -4.97 117.00 111.66 2dog n LEU 81 Ca -0.37 0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 56.29 2dog n LEU 81 Cb 1.01 -1.40 0.17 0.00 -2.33 0.00 0.00 43.42 40.88 2dog n LEU 81 CO 0.35 -1.42 0.64 -2.16 -1.33 0.00 0.00 177.39 173.48 2dog s PRO 82 N -2.31 0.54 0.66 3.23 0.04 -1.26 -4.93 135.00 130.97 2dog s PRO 82 Ca 0.67 0.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 2dog s PRO 82 Cb -0.50 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2dog s PRO 82 CO 0.54 -2.67 1.11 -1.25 0.04 0.00 0.00 177.00 174.77 2dog s PRO 83 N -4.96 2.78 0.36 0.56 0.04 -1.26 -4.96 135.00 127.56 2dog s PRO 83 Ca 0.65 1.38 0.20 0.00 0.04 0.00 0.00 61.00 63.27 2dog s PRO 83 Cb -0.18 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.62 2dog s PRO 83 CO 0.58 -1.26 1.50 1.37 0.04 0.00 0.00 177.00 179.22 2dog h LEU 84 N -0.03 0.00 0.00 -3.56 8.10 -2.02 -3.56 115.31 114.23 2dog h LEU 84 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.52 2dog h LEU 84 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 2dog h LEU 84 CO 0.54 0.18 0.00 -1.84 -4.11 0.00 0.00 178.44 173.21