#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 3.05 0.09 0.03 1.81 -1.26 -4.96 118.95 117.70 2dog s ARG 2 Ca 0.00 -0.07 0.02 0.00 -1.72 0.00 0.00 55.73 53.97 2dog s ARG 2 Cb 0.00 -4.32 -0.04 0.00 -0.45 0.00 0.00 34.95 30.15 2dog s ARG 2 CO 0.00 -2.33 -0.08 -0.51 -0.68 0.00 0.00 175.30 171.70 2dog s LEU 3 N 6.67 2.43 -0.02 2.53 1.43 -1.26 -4.08 118.68 126.38 2dog s LEU 3 Ca 0.45 -0.87 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 2dog s LEU 3 Cb -0.09 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.99 2dog s LEU 3 CO 0.15 -0.36 0.13 0.68 0.23 0.00 0.00 176.35 177.17 2dog s VAL 4 N -2.89 0.06 -0.45 -1.59 -7.23 -0.80 -4.95 120.40 102.55 2dog s VAL 4 Ca 0.06 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.47 2dog s VAL 4 Cb 0.00 -0.34 0.03 0.00 0.56 0.00 0.00 36.38 36.63 2dog s VAL 4 CO -0.03 -0.26 1.12 -0.70 -0.31 0.00 0.00 175.10 174.93 2dog s GLU 5 N -0.88 3.79 -0.19 4.82 2.12 -1.26 -0.62 118.70 126.46 2dog s GLU 5 Ca -0.10 0.65 -0.02 0.00 0.36 0.00 0.00 54.97 55.86 2dog s GLU 5 Cb -0.06 -3.87 -0.21 0.00 0.26 0.00 0.00 34.13 30.25 2dog s GLU 5 CO 0.01 -1.28 0.05 0.44 -0.54 0.00 0.00 175.26 173.94 2dog n ILE 6 N 6.64 1.63 -3.82 -3.70 -5.35 -1.18 -4.94 119.36 108.63 2dog n ILE 6 Ca 0.12 -0.60 -0.08 0.00 -0.27 0.00 0.00 62.75 61.91 2dog n ILE 6 Cb 0.49 -1.57 0.01 0.00 -1.74 0.00 0.00 39.64 36.82 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 -6.07 0.26 0.00 3.28 0.00 -1.25 -0.25 107.32 103.30 2dog s GLY 7 Ca -0.29 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2dog s GLY 7 CO 0.68 -0.26 -0.01 -1.60 0.00 0.00 0.00 173.10 171.90 2dog s ARG 8 N -2.69 0.12 -0.21 2.90 3.00 -0.73 -0.87 118.95 120.48 2dog s ARG 8 Ca 0.14 -0.09 -0.29 0.00 -1.00 0.00 0.00 55.73 54.49 2dog s ARG 8 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 34.95 34.79 2dog s ARG 8 CO 0.10 0.02 1.46 -0.06 0.00 0.00 0.00 175.30 176.83 2dog s PHE 9 N -0.14 2.40 0.00 5.12 0.08 -0.96 -2.18 117.98 122.29 2dog s PHE 9 Ca -0.01 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.72 2dog s PHE 9 Cb -0.01 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 2dog s PHE 9 CO -0.00 -2.48 0.00 0.41 -0.10 0.00 0.00 175.22 173.05 2dog n GLY 10 N 4.27 1.51 3.57 4.36 0.00 0.89 -2.39 105.19 117.41 2dog n GLY 10 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.00 2.95 -0.01 4.61 0.00 -1.26 -4.14 121.76 119.91 2dog s ALA 11 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 2dog s ALA 11 Cb 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.34 2dog s ALA 11 CO 0.00 0.45 1.46 -1.25 0.00 0.00 0.00 175.76 176.42 2dog s PRO 12 N -2.89 4.25 1.30 0.00 0.04 -1.26 -1.73 135.00 134.71 2dog s PRO 12 Ca 0.25 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 2dog s PRO 12 Cb -0.09 -3.65 0.32 0.00 0.04 0.00 0.00 34.50 31.13 2dog s PRO 12 CO 0.15 -0.64 1.02 -0.47 0.04 0.00 0.00 177.00 177.10 2dog s TYR 13 N 2.74 0.09 0.96 0.56 5.04 0.13 -4.87 117.35 122.00 2dog s TYR 13 Ca 0.66 0.61 -0.16 0.00 -2.44 0.00 0.00 57.07 55.74 2dog s TYR 13 Cb -0.32 -3.16 -0.10 0.00 0.35 0.00 0.00 41.96 38.73 2dog s TYR 13 CO 0.27 -4.37 -0.41 0.00 -1.34 0.00 0.00 175.55 169.69 2dog n ALA 14 N -5.17 -4.51 -0.15 3.97 0.00 -1.26 -4.51 120.51 108.87 2dog n ALA 14 Ca 0.12 -0.63 0.27 0.00 0.00 0.00 0.00 53.44 53.20 2dog n ALA 14 Cb 0.59 -1.35 0.56 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.10 0.00 -1.43 0.00 3.38 -1.94 -0.46 115.31 113.76 2dog h LEU 15 Ca -0.44 0.00 0.42 0.00 0.09 0.00 0.00 57.88 57.95 2dog h LEU 15 Cb 1.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 2dog h LEU 15 CO 0.27 0.00 1.29 0.29 0.09 0.00 0.00 178.44 180.39 2dog n LYS 16 N -3.44 0.01 0.00 1.13 4.76 -1.26 -3.65 118.16 115.71 2dog n LYS 16 Ca 0.20 1.03 0.00 0.00 -2.87 0.00 0.00 58.31 56.67 2dog n LYS 16 Cb 1.29 -2.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 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 -1.79 1.16 3.86 0.72 0.00 -0.18 -4.54 105.19 104.41 2dog n GLY 17 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 1.75 -0.09 -0.02 0.00 -1.23 -4.55 107.32 101.18 2dog s GLY 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.72 2dog s GLY 18 CO 0.00 0.28 -0.07 1.08 0.00 0.00 0.00 173.10 174.39 2dog s LEU 19 N -5.00 1.20 -0.48 0.66 1.43 -0.60 0.18 118.68 116.06 2dog s LEU 19 Ca 0.56 -0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 2dog s LEU 19 Cb -0.11 -0.73 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 2dog s LEU 19 CO 0.49 -0.09 2.15 -0.13 0.23 0.00 0.00 176.35 179.00 2dog s ARG 20 N 1.44 2.51 -0.32 1.70 0.52 -0.70 0.34 118.95 124.44 2dog s ARG 20 Ca -0.01 1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 56.34 2dog s ARG 20 Cb -0.13 -4.46 0.01 0.00 0.52 0.00 0.00 34.95 30.89 2dog s ARG 20 CO -0.04 -2.83 0.12 0.12 0.02 0.00 0.00 175.30 172.69 2dog s PHE 21 N 10.23 3.18 -0.59 -0.53 5.36 0.27 -0.08 117.98 135.83 2dog s PHE 21 Ca 0.86 -0.91 -0.12 0.00 -0.96 0.00 0.00 56.93 55.80 2dog s PHE 21 Cb -0.18 -2.32 0.15 0.00 -0.34 0.00 0.00 43.02 40.34 2dog s PHE 21 CO 0.26 -0.57 0.51 0.50 -1.46 0.00 0.00 175.22 174.46 2dog s ARG 22 N 1.53 2.93 0.26 10.12 3.52 -0.93 -3.85 118.95 132.53 2dog s ARG 22 Ca 0.03 -1.98 0.00 0.00 -0.13 0.00 0.00 55.73 53.65 2dog s ARG 22 Cb -0.18 -4.15 -0.03 0.00 -1.56 0.00 0.00 34.95 29.03 2dog s ARG 22 CO 0.04 -1.26 0.25 0.20 -0.81 0.00 0.00 175.30 173.72 2dog s GLY 23 N 2.69 1.64 0.73 8.12 0.00 -1.26 -1.78 107.32 117.46 2dog s GLY 23 Ca 0.09 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 42.93 2dog s GLY 23 CO -0.02 -1.30 0.39 1.18 0.00 0.00 0.00 173.10 173.35 2dog n GLU 24 N -0.43 0.23 0.10 2.90 1.02 0.66 -4.84 120.64 120.27 2dog n GLU 24 Ca 0.03 0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.39 2dog n GLU 24 Cb 0.64 -1.71 0.44 0.00 -0.02 0.00 0.00 31.44 30.79 2dog n GLU 24 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2dog n PRO 25 N -0.40 0.14 0.05 3.49 -0.04 -1.26 -2.59 135.00 134.40 2dog n PRO 25 Ca 0.09 0.38 0.07 0.00 -0.04 0.00 0.00 63.50 64.01 2dog n PRO 25 Cb 0.50 -1.78 0.32 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.05 1.16 0.30 0.52 3.14 -1.26 -2.16 118.33 117.99 2dog n VAL 26 Ca 0.02 0.35 0.16 0.00 -2.96 0.00 0.00 64.34 61.91 2dog n VAL 26 Cb 0.21 -1.22 0.74 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 0.00 0.00 1.55 3.04 -1.85 -1.90 116.25 117.09 2dog h VAL 27 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2dog h VAL 27 Cb 0.20 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 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 -2.72 0.00 -0.35 3.16 4.77 -0.92 -1.82 117.00 119.12 2dog n LEU 28 Ca -0.00 0.20 0.04 0.00 -0.03 0.00 0.00 56.01 56.21 2dog n LEU 28 Cb 0.19 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2dog n LEU 28 CO 0.21 -0.09 0.48 1.41 -1.33 0.00 0.00 177.39 178.07 2dog n HIS 29 N -1.20 0.16 -3.36 -1.77 8.25 -0.71 -5.02 115.22 111.57 2dog n HIS 29 Ca 0.10 -0.26 -0.20 0.00 -0.26 0.00 0.00 57.72 57.09 2dog n HIS 29 Cb 0.11 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.81 3.90 -0.04 2.41 1.43 -0.76 -4.88 118.68 119.94 2dog s LEU 30 Ca 0.12 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2dog s LEU 30 Cb 0.07 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 2dog s LEU 30 CO 0.10 -0.49 -0.03 1.21 0.23 0.00 0.00 176.35 177.37 2dog n GLU 31 N -1.76 0.53 -4.08 1.70 4.07 -1.26 -5.04 120.64 114.81 2dog n GLU 31 Ca -0.00 0.02 -0.24 0.00 -0.06 0.00 0.00 57.16 56.88 2dog n GLU 31 Cb 0.58 -1.09 -0.06 0.00 -0.06 0.00 0.00 31.44 30.81 2dog n GLU 31 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2dog n ARG 32 N -2.57 0.88 -4.03 5.31 1.85 -1.26 -2.13 116.66 114.71 2dog n ARG 32 Ca -0.08 -2.91 -0.12 0.00 -1.00 0.00 0.00 57.85 53.74 2dog n ARG 32 Cb 0.59 1.06 -0.04 0.00 -1.05 0.00 0.00 32.46 33.02 2dog n ARG 32 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2dog s VAL 33 N -2.59 0.00 -0.12 8.89 -7.23 0.17 -4.73 120.40 114.80 2dog s VAL 33 Ca 0.06 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2dog s VAL 33 Cb 0.00 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.43 2dog s VAL 33 CO 0.04 0.00 -0.06 -0.47 -0.31 0.00 0.00 175.10 174.30 2dog s TYR 34 N -3.28 1.40 -0.77 2.82 5.04 -0.84 -1.62 117.35 120.10 2dog s TYR 34 Ca 0.26 -0.71 -0.21 0.00 -2.44 0.00 0.00 57.07 53.97 2dog s TYR 34 Cb -0.01 -1.19 0.09 0.00 0.35 0.00 0.00 41.96 41.21 2dog s TYR 34 CO 0.15 -0.51 1.04 0.08 -1.34 0.00 0.00 175.55 174.97 2dog s VAL 35 N 1.73 4.48 -0.50 3.14 1.01 -0.59 -1.16 120.40 128.51 2dog s VAL 35 Ca 0.04 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2dog s VAL 35 Cb -0.13 -4.73 -0.07 0.00 0.00 0.00 0.00 36.38 31.45 2dog s VAL 35 CO -0.08 -1.48 2.40 -0.70 0.00 0.00 0.00 175.10 175.24 2dog s GLU 36 N 3.53 2.08 0.00 2.72 2.56 -0.39 -2.12 118.70 127.08 2dog s GLU 36 Ca 0.27 1.36 0.00 0.00 0.00 0.00 0.00 54.97 56.60 2dog s GLU 36 Cb -0.12 -4.59 0.00 0.00 2.00 0.00 0.00 34.13 31.42 2dog s GLU 36 CO 0.02 -3.32 0.00 0.41 -0.56 0.00 0.00 175.26 171.81 2dog n GLY 37 N 6.03 4.21 0.15 -1.50 0.00 -1.26 -4.17 105.19 108.64 2dog n GLY 37 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.79 1.61 8.25 -0.90 -5.16 115.22 115.23 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 3.61 0.95 3.67 -1.41 0.00 -1.18 -5.04 105.19 105.79 2dog n GLY 39 Ca 0.00 -1.24 -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 -2.31 3.35 0.23 1.61 0.52 -1.26 -1.54 118.94 119.54 2dog s TRP 40 Ca 0.16 1.46 0.09 0.00 0.02 0.00 0.00 56.10 57.83 2dog s TRP 40 Cb -0.05 -3.27 -0.04 0.00 -1.15 0.00 0.00 33.47 28.96 2dog s TRP 40 CO 0.11 -0.54 0.01 1.03 0.02 0.00 0.00 176.95 177.58 2dog s ARG 41 N 2.77 2.36 0.27 4.98 1.81 -0.64 -4.88 118.95 125.61 2dog s ARG 41 Ca 0.47 -1.29 0.07 0.00 -1.72 0.00 0.00 55.73 53.26 2dog s ARG 41 Cb -0.17 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.05 2dog s ARG 41 CO 0.12 0.40 0.24 0.00 -0.68 0.00 0.00 175.30 175.37 2dog s ALA 42 N -2.10 3.68 -0.14 2.13 0.00 -1.26 0.44 121.76 124.52 2dog s ALA 42 Ca 0.30 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 2dog s ALA 42 Cb -0.07 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 2dog s ALA 42 CO 0.20 0.20 0.20 0.42 0.00 0.00 0.00 175.76 176.77 2dog s ILE 43 N -2.15 5.39 -0.11 0.00 1.01 -0.91 -1.58 121.20 122.85 2dog s ILE 43 Ca 0.35 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 2dog s ILE 43 Cb -0.08 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.83 2dog s ILE 43 CO 0.26 0.51 -0.12 -0.62 0.00 0.00 0.00 174.94 174.98 2dog n GLU 44 N 2.75 0.27 -3.64 2.79 1.02 -0.59 -4.85 120.64 118.38 2dog n GLU 44 Ca -0.16 0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.95 2dog n GLU 44 Cb 0.53 -1.12 -0.07 0.00 -0.02 0.00 0.00 31.44 30.76 2dog n GLU 44 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dog s ASP 45 N -5.40 -0.82 -0.01 1.62 1.01 -1.20 -5.02 116.67 106.86 2dog s ASP 45 Ca -0.15 1.42 -0.19 0.00 0.71 0.00 0.00 52.55 54.34 2dog s ASP 45 Cb 0.05 1.36 0.04 0.00 1.01 0.00 0.00 42.92 45.37 2dog s ASP 45 CO 0.24 -0.24 0.41 -1.48 0.21 0.00 0.00 175.17 174.31 2dog s LEU 46 N 1.09 0.45 -0.20 1.23 0.05 -1.26 0.68 118.68 120.71 2dog s LEU 46 Ca -0.06 0.18 -0.27 0.00 0.05 0.00 0.00 54.13 54.04 2dog s LEU 46 Cb -0.05 1.63 0.08 0.00 -2.05 0.00 0.00 46.19 45.80 2dog s LEU 46 CO -0.11 -0.53 0.76 -0.72 -0.55 0.00 0.00 176.35 175.20 2dog s TYR 47 N -1.59 -0.69 -0.51 3.48 -0.85 -1.11 -5.00 117.35 111.07 2dog s TYR 47 Ca -0.11 1.53 -0.29 0.00 -0.52 0.00 0.00 57.07 57.69 2dog s TYR 47 Cb -0.03 0.33 0.02 0.00 0.38 0.00 0.00 41.96 42.67 2dog s TYR 47 CO 0.04 -0.43 1.25 -0.98 -1.52 0.00 0.00 175.55 173.91 2dog s ARG 48 N -0.19 3.57 -0.53 -3.49 1.70 -1.26 -2.13 118.95 116.61 2dog s ARG 48 Ca -0.03 0.53 -0.21 0.00 -0.47 0.00 0.00 55.73 55.55 2dog s ARG 48 Cb -0.03 -4.00 0.06 0.00 -0.57 0.00 0.00 34.95 30.41 2dog s ARG 48 CO 0.03 -1.59 0.74 0.08 -1.08 0.00 0.00 175.30 173.48 2dog s VAL 49 N 5.05 4.70 0.00 4.99 1.01 0.25 -4.87 120.40 131.53 2dog s VAL 49 Ca 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.20 2dog s VAL 49 Cb -0.09 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.89 2dog s VAL 49 CO 0.29 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 175.05 2dog n GLY 50 N 5.17 0.74 0.82 4.51 0.00 -1.26 -1.20 105.19 113.96 2dog n GLY 50 Ca -0.04 0.49 0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 1.86 -4.09 1.61 1.02 -1.26 -5.02 120.64 114.76 2dog n GLU 51 Ca 0.00 -3.07 -0.14 0.00 -0.02 0.00 0.00 57.16 53.93 2dog n GLU 51 Cb 0.00 -1.73 -0.05 0.00 -0.02 0.00 0.00 31.44 29.65 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 -3.13 1.83 0.00 3.49 2.02 -0.34 -5.15 118.70 117.43 2dog s GLU 52 Ca 0.41 -1.70 0.03 0.00 0.02 0.00 0.00 54.97 53.73 2dog s GLU 52 Cb 0.37 0.43 -0.01 0.00 0.10 0.00 0.00 34.13 35.02 2dog s GLU 52 CO -0.00 -0.75 -0.09 -0.51 0.02 0.00 0.00 175.26 173.93 2dog s LEU 53 N -3.21 2.06 -0.26 1.80 1.43 -1.25 0.88 118.68 120.12 2dog s LEU 53 Ca 0.30 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2dog s LEU 53 Cb 0.00 -0.43 0.07 0.00 0.03 0.00 0.00 46.19 45.86 2dog s LEU 53 CO 0.19 0.06 -0.01 -0.69 0.23 0.00 0.00 176.35 176.13 2dog s VAL 54 N -0.40 1.54 -0.12 -1.59 1.01 -0.91 0.97 120.40 120.90 2dog s VAL 54 Ca 0.02 -1.42 -0.12 0.00 0.00 0.00 0.00 61.98 60.46 2dog s VAL 54 Cb -0.05 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 2dog s VAL 54 CO -0.00 -0.27 0.26 -0.69 0.00 0.00 0.00 175.10 174.40 2dog s VAL 55 N 1.36 5.31 -0.53 2.92 1.01 0.15 -2.76 120.40 127.86 2dog s VAL 55 Ca -0.01 0.48 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 2dog s VAL 55 Cb -0.19 -3.57 0.14 0.00 0.00 0.00 0.00 36.38 32.76 2dog s VAL 55 CO -0.09 0.50 0.42 -1.00 0.00 0.00 0.00 175.10 174.92 2dog s HIS 56 N -0.29 3.45 0.58 5.22 3.76 0.21 -1.56 115.29 126.66 2dog s HIS 56 Ca 0.17 -1.93 -0.18 0.00 -0.15 0.00 0.00 55.06 52.96 2dog s HIS 56 Cb -0.13 -3.53 -0.04 0.00 1.11 0.00 0.00 32.58 29.99 2dog s HIS 56 CO 0.05 -0.98 1.12 -0.51 -0.85 0.00 0.00 174.74 173.57 2dog s LEU 57 N 1.09 3.64 0.41 0.89 1.43 -1.26 -1.55 118.68 123.33 2dog s LEU 57 Ca 0.08 2.11 -0.26 0.00 -1.03 0.00 0.00 54.13 55.03 2dog s LEU 57 Cb -0.24 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.32 2dog s LEU 57 CO -0.02 -1.33 1.35 0.00 0.23 0.00 0.00 176.35 176.58 2dog s ALA 58 N -1.96 3.28 0.00 4.21 0.00 -0.62 -3.04 121.76 123.64 2dog s ALA 58 Ca 0.71 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2dog s ALA 58 Cb -0.22 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2dog s ALA 58 CO 0.31 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2dog n GLY 59 N 0.64 2.16 3.55 0.00 0.00 -1.26 -4.85 105.19 105.43 2dog n GLY 59 Ca 0.04 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.11 3.28 0.00 1.61 1.01 -1.17 -4.67 120.40 120.34 2dog s VAL 60 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2dog s VAL 60 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2dog s VAL 60 CO 0.00 -0.68 0.59 0.35 0.00 0.00 0.00 175.10 175.37 2dog n THR 61 N 7.59 0.25 -4.20 3.92 -2.24 -1.26 -4.70 114.28 113.63 2dog n THR 61 Ca 0.29 -0.58 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 2dog n THR 61 Cb 0.51 0.94 -0.13 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.25 1.30 0.26 3.42 1.47 -1.26 -4.17 116.67 117.44 2dog s ASP 62 Ca 0.00 -0.48 -0.03 0.00 1.18 0.00 0.00 52.55 53.22 2dog s ASP 62 Cb 0.00 -0.05 0.56 0.00 -0.34 0.00 0.00 42.92 43.09 2dog s ASP 62 CO 0.00 -0.06 1.65 -0.09 0.68 0.00 0.00 175.17 177.35 2dog h ARG 63 N 4.79 0.18 0.01 2.11 2.43 -1.87 -2.17 114.38 119.85 2dog h ARG 63 Ca -0.37 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2dog h ARG 63 Cb 1.19 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2dog h ARG 63 CO 0.43 0.12 -0.04 1.15 -1.51 0.00 0.00 179.97 180.12 2dog h THR 64 N 0.19 0.00 -0.99 0.20 2.02 -1.96 0.19 112.91 112.56 2dog h THR 64 Ca 0.47 0.00 0.36 0.00 0.77 0.00 0.00 66.41 68.01 2dog h THR 64 Cb 0.88 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.12 2dog h THR 64 CO -0.63 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 175.68 2dog h LEU 65 N -0.05 0.30 0.23 2.58 3.38 -1.87 0.24 115.31 120.13 2dog h LEU 65 Ca -0.00 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2dog h LEU 65 Cb 0.05 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dog h LEU 65 CO -0.02 -0.29 -0.11 0.00 0.09 0.00 0.00 178.44 178.10 2dog h ALA 66 N 1.92 -0.31 -0.95 1.53 0.00 -0.74 -2.84 119.26 117.88 2dog h ALA 66 Ca 0.76 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 55.76 2dog h ALA 66 Cb 1.86 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 2dog h ALA 66 CO -0.71 -0.57 0.64 0.93 0.00 0.00 0.00 179.25 179.54 2dog h GLU 67 N -0.53 0.29 0.00 0.00 5.08 0.25 0.64 114.58 120.31 2dog h GLU 67 Ca -0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2dog h GLU 67 Cb 0.39 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2dog h GLU 67 CO 0.05 0.19 -0.17 0.00 -1.00 0.00 0.00 179.01 178.08 2dog h ALA 68 N 1.59 1.30 -0.34 3.43 0.00 -1.08 -2.19 119.26 121.97 2dog h ALA 68 Ca 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2dog h ALA 68 Cb 1.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2dog h ALA 68 CO -0.16 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2dog n LEU 69 N -3.73 4.33 -4.76 0.00 4.77 0.21 -4.97 117.00 112.86 2dog n LEU 69 Ca -0.02 -2.99 -0.37 0.00 -0.03 0.00 0.00 56.01 52.61 2dog n LEU 69 Cb 0.28 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 2dog n LEU 69 CO 0.32 0.67 -0.01 -0.69 -1.33 0.00 0.00 177.39 176.35 2dog s VAL 70 N -2.79 5.28 0.00 4.08 1.01 -0.74 -4.26 120.40 122.98 2dog s VAL 70 Ca 0.45 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2dog s VAL 70 Cb 0.36 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2dog s VAL 70 CO 0.11 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2dog n GLY 71 N 3.04 2.72 3.69 4.51 0.00 -1.01 -5.02 105.19 113.12 2dog n GLY 71 Ca -0.13 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 2.22 0.08 0.99 1.43 -1.26 -4.73 118.68 117.41 2dog s LEU 72 Ca 0.00 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.71 2dog s LEU 72 Cb 0.00 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 2dog s LEU 72 CO 0.00 -2.81 0.13 -0.13 0.23 0.00 0.00 176.35 173.77 2dog s ARG 73 N -4.85 3.07 -0.12 1.70 3.00 -1.26 -2.26 118.95 118.22 2dog s ARG 73 Ca 0.64 -0.62 -0.06 0.00 0.00 0.00 0.00 55.73 55.69 2dog s ARG 73 Cb -0.19 -2.82 -0.04 0.00 0.00 0.00 0.00 34.95 31.89 2dog s ARG 73 CO 0.58 0.57 0.11 0.08 0.00 0.00 0.00 175.30 176.64 2dog s VAL 74 N -1.45 5.22 0.03 3.52 1.01 -0.05 -1.26 120.40 127.41 2dog s VAL 74 Ca 0.31 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.48 2dog s VAL 74 Cb -0.12 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2dog s VAL 74 CO 0.24 0.59 -0.25 -0.31 0.00 0.00 0.00 175.10 175.37 2dog s TYR 75 N -0.79 2.37 0.37 5.22 1.51 -0.31 -3.11 117.35 122.60 2dog s TYR 75 Ca 0.13 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.88 2dog s TYR 75 Cb -0.12 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 2dog s TYR 75 CO 0.03 0.11 0.17 0.00 -1.11 0.00 0.00 175.55 174.75 2dog s ALA 76 N -0.78 3.56 -0.25 3.71 0.00 0.21 -2.00 121.76 126.21 2dog s ALA 76 Ca 0.12 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.17 2dog s ALA 76 Cb -0.10 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.42 2dog s ALA 76 CO 0.02 -0.04 -0.10 -2.00 0.00 0.00 0.00 175.76 173.63 2dog s GLU 77 N -3.88 2.47 0.65 0.00 2.12 -1.26 -1.91 118.70 116.89 2dog s GLU 77 Ca 0.39 -1.20 0.24 0.00 0.36 0.00 0.00 54.97 54.76 2dog s GLU 77 Cb -0.01 -2.90 1.28 0.00 0.26 0.00 0.00 34.13 32.76 2dog s GLU 77 CO 0.23 -0.50 1.72 0.28 -0.54 0.00 0.00 175.26 176.45 2dog h VAL 78 N 6.50 0.06 -0.80 3.70 2.07 -1.93 0.11 116.25 125.97 2dog h VAL 78 Ca -0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2dog h VAL 78 Cb 1.07 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2dog h VAL 78 CO 0.52 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.63 2dog h ALA 79 N 1.08 1.65 0.20 1.67 0.00 -1.93 -2.65 119.26 119.27 2dog h ALA 79 Ca 0.06 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 2dog h ALA 79 Cb 1.09 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dog h ALA 79 CO -0.00 0.22 -1.72 -0.44 0.00 0.00 0.00 179.25 177.32 2dog h ASP 80 N 0.85 0.65 -3.72 0.00 5.19 -1.20 -3.47 116.42 114.71 2dog h ASP 80 Ca 0.35 -0.94 -0.55 0.00 -0.62 0.00 0.00 57.03 55.27 2dog h ASP 80 Cb 0.28 -0.21 0.18 0.00 0.18 0.00 0.00 39.33 39.75 2dog h ASP 80 CO -0.13 1.78 0.04 0.18 -3.12 0.00 0.00 179.24 177.99 2dog n LEU 81 N -3.62 3.14 -4.77 1.55 4.77 -1.00 -4.95 117.00 112.12 2dog n LEU 81 Ca -0.24 0.64 -0.36 0.00 -0.03 0.00 0.00 56.01 56.03 2dog n LEU 81 Cb 1.08 -1.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2dog n LEU 81 CO 0.53 -2.19 0.80 -2.16 -1.33 0.00 0.00 177.39 173.04 2dog s PRO 82 N -3.32 3.51 0.51 3.23 0.04 -1.26 -4.95 135.00 132.74 2dog s PRO 82 Ca 0.72 1.67 -0.21 0.00 0.04 0.00 0.00 61.00 63.22 2dog s PRO 82 Cb -0.34 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 2dog s PRO 82 CO 0.52 -0.74 1.15 -1.25 0.04 0.00 0.00 177.00 176.72 2dog s PRO 83 N -3.06 3.54 -0.55 0.56 0.04 -1.26 -5.02 135.00 129.24 2dog s PRO 83 Ca 0.69 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.46 2dog s PRO 83 Cb -0.26 -2.19 0.15 0.00 0.04 0.00 0.00 34.50 32.25 2dog s PRO 83 CO 0.30 -0.72 0.36 -0.48 0.04 0.00 0.00 177.00 176.50 2dog s LEU 84 N -3.45 3.48 0.00 -3.56 2.34 -1.26 -5.30 118.68 110.93 2dog s LEU 84 Ca 0.69 -3.23 0.00 0.00 0.06 0.00 0.00 54.13 51.64 2dog s LEU 84 Cb -0.26 -1.23 0.00 0.00 -0.56 0.00 0.00 46.19 44.14 2dog s LEU 84 CO 0.30 -0.17 0.05 -1.84 -1.06 0.00 0.00 176.35 173.63