#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dog n ARG 2 N 0.00 1.95 -3.02 0.03 1.74 -1.26 -4.90 116.66 111.20 2dog n ARG 2 Ca 0.00 -1.92 -0.22 0.00 -0.77 0.00 0.00 57.85 54.93 2dog n ARG 2 Cb 0.00 -2.89 0.01 0.00 -1.02 0.00 0.00 32.46 28.56 2dog n ARG 2 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dog s LEU 3 N 1.11 3.67 -0.06 0.55 1.43 -1.26 -3.95 118.68 120.16 2dog s LEU 3 Ca 0.53 0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.76 2dog s LEU 3 Cb 0.14 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 43.27 2dog s LEU 3 CO 0.04 -0.69 0.20 0.68 0.23 0.00 0.00 176.35 176.82 2dog s VAL 4 N -2.52 0.02 -0.13 -1.59 -7.23 -0.78 -4.94 120.40 103.23 2dog s VAL 4 Ca 0.48 -0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 60.16 2dog s VAL 4 Cb -0.10 -0.36 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 2dog s VAL 4 CO 0.37 -0.11 1.04 -0.70 -0.31 0.00 0.00 175.10 175.39 2dog s GLU 5 N -0.35 4.38 -0.18 4.82 2.12 -1.26 -0.97 118.70 127.25 2dog s GLU 5 Ca -0.05 1.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.69 2dog s GLU 5 Cb -0.03 -3.57 -0.11 0.00 0.26 0.00 0.00 34.13 30.68 2dog s GLU 5 CO 0.01 -0.40 -0.17 0.44 -0.54 0.00 0.00 175.26 174.59 2dog n ILE 6 N 4.74 1.01 -3.85 -3.70 -5.35 -1.18 -4.98 119.36 106.05 2dog n ILE 6 Ca 0.10 -0.36 -0.09 0.00 -0.27 0.00 0.00 62.75 62.13 2dog n ILE 6 Cb 0.48 -1.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.14 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 -5.62 0.35 0.03 3.28 0.00 -1.24 -1.09 107.32 103.03 2dog s GLY 7 Ca -0.24 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 43.79 2dog s GLY 7 CO 0.39 -0.33 -0.07 -1.60 0.00 0.00 0.00 173.10 171.49 2dog s ARG 8 N -2.86 0.49 0.27 2.90 3.52 -0.50 -1.53 118.95 121.24 2dog s ARG 8 Ca 0.16 -0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 54.79 2dog s ARG 8 Cb -0.05 -0.26 -0.09 0.00 -1.56 0.00 0.00 34.95 32.99 2dog s ARG 8 CO 0.11 0.05 1.12 -0.06 -0.81 0.00 0.00 175.30 175.70 2dog s PHE 9 N -1.24 3.54 0.00 5.12 0.08 -0.98 -1.53 117.98 122.96 2dog s PHE 9 Ca -0.09 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.61 2dog s PHE 9 Cb -0.09 -3.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.04 2dog s PHE 9 CO 0.00 -0.68 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 2dog n GLY 10 N 1.30 -0.12 3.32 4.36 0.00 0.98 -4.00 105.19 111.03 2dog n GLY 10 Ca -0.00 0.00 -0.25 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 -3.76 2.01 -0.18 4.61 0.00 -1.26 -4.58 121.76 118.59 2dog s ALA 11 Ca 0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 2dog s ALA 11 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2dog s ALA 11 CO 0.00 0.38 1.59 -1.25 0.00 0.00 0.00 175.76 176.48 2dog s PRO 12 N -2.15 3.91 1.40 0.00 0.04 -1.26 -1.51 135.00 135.43 2dog s PRO 12 Ca 0.11 1.76 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 2dog s PRO 12 Cb -0.09 -4.00 0.35 0.00 0.04 0.00 0.00 34.50 30.80 2dog s PRO 12 CO 0.05 -1.15 0.82 0.98 0.04 0.00 0.00 177.00 177.74 2dog n TYR 13 N 8.01 -3.40 -0.97 0.56 9.36 0.28 -4.91 117.16 126.10 2dog n TYR 13 Ca 0.18 -0.66 -0.37 0.00 3.32 0.00 0.00 57.90 60.38 2dog n TYR 13 Cb 0.45 -1.38 0.05 0.00 -0.63 0.00 0.00 39.34 37.83 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 -5.61 -5.35 -0.37 2.98 0.00 -1.26 -4.47 120.51 106.42 2dog n ALA 14 Ca 0.12 -0.97 0.37 0.00 0.00 0.00 0.00 53.44 52.96 2dog n ALA 14 Cb 0.57 -1.08 0.76 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.49 0.00 3.38 -1.94 -1.13 115.31 113.04 2dog h LEU 15 Ca -0.43 0.00 0.45 0.00 0.09 0.00 0.00 57.88 57.99 2dog h LEU 15 Cb 1.34 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.01 2dog h LEU 15 CO 0.24 0.00 1.05 0.29 0.09 0.00 0.00 178.44 180.11 2dog n LYS 16 N -4.15 -0.01 0.00 1.13 4.76 -1.26 -3.50 118.16 115.12 2dog n LYS 16 Ca 0.28 0.90 0.00 0.00 -2.87 0.00 0.00 58.31 56.62 2dog n LYS 16 Cb 1.34 -2.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 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 -1.67 1.30 3.83 0.72 0.00 -0.43 -4.32 105.19 104.61 2dog n GLY 17 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 2.05 -0.10 -0.02 0.00 -1.23 -4.64 107.32 101.38 2dog s GLY 18 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.98 2dog s GLY 18 CO 0.00 0.55 -0.09 1.08 0.00 0.00 0.00 173.10 174.64 2dog s LEU 19 N -4.40 1.35 -0.45 0.66 1.43 -0.71 1.00 118.68 117.56 2dog s LEU 19 Ca 0.61 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.14 2dog s LEU 19 Cb -0.13 -0.83 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 2dog s LEU 19 CO 0.36 -0.07 2.13 -0.13 0.23 0.00 0.00 176.35 178.87 2dog s ARG 20 N 1.35 2.62 -0.29 1.70 0.52 -0.57 -0.34 118.95 123.94 2dog s ARG 20 Ca -0.02 1.30 -0.08 0.00 -0.52 0.00 0.00 55.73 56.41 2dog s ARG 20 Cb -0.14 -4.43 -0.00 0.00 0.52 0.00 0.00 34.95 30.90 2dog s ARG 20 CO -0.04 -2.70 0.11 0.12 0.02 0.00 0.00 175.30 172.80 2dog s PHE 21 N 9.82 3.14 -0.58 -0.53 5.36 0.18 -0.01 117.98 135.37 2dog s PHE 21 Ca 0.87 -0.71 -0.11 0.00 -0.96 0.00 0.00 56.93 56.01 2dog s PHE 21 Cb -0.19 -2.29 0.15 0.00 -0.34 0.00 0.00 43.02 40.35 2dog s PHE 21 CO 0.27 -0.49 0.49 0.50 -1.46 0.00 0.00 175.22 174.53 2dog s ARG 22 N 1.57 2.87 0.26 10.12 3.00 -0.58 -3.78 118.95 132.40 2dog s ARG 22 Ca 0.04 -1.98 0.00 0.00 -1.00 0.00 0.00 55.73 52.79 2dog s ARG 22 Cb -0.17 -4.12 -0.03 0.00 0.00 0.00 0.00 34.95 30.64 2dog s ARG 22 CO 0.04 -1.25 0.25 0.20 0.00 0.00 0.00 175.30 174.54 2dog s GLY 23 N 2.61 1.65 0.81 8.12 0.00 -1.26 -1.41 107.32 117.84 2dog s GLY 23 Ca 0.09 -1.72 -0.15 0.00 0.00 0.00 0.00 44.72 42.93 2dog s GLY 23 CO -0.02 -1.30 0.25 1.18 0.00 0.00 0.00 173.10 173.22 2dog n GLU 24 N -0.43 0.07 0.08 2.90 1.02 -0.25 -4.84 120.64 119.19 2dog n GLU 24 Ca 0.03 0.06 0.10 0.00 -0.02 0.00 0.00 57.16 57.33 2dog n GLU 24 Cb 0.64 -1.66 0.43 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.37 0.13 0.11 3.49 -0.04 -1.26 -2.61 135.00 134.44 2dog n PRO 25 Ca 0.07 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 2dog n PRO 25 Cb 0.52 -1.74 0.45 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.98 1.01 0.29 0.52 3.14 -1.26 -2.14 118.33 117.92 2dog n VAL 26 Ca 0.03 0.40 0.17 0.00 -2.96 0.00 0.00 64.34 61.97 2dog n VAL 26 Cb 0.21 -1.34 0.88 0.00 -1.06 0.00 0.00 33.84 32.53 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 0.30 0.00 1.55 3.04 -1.85 -1.65 116.25 117.65 2dog h VAL 27 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2dog h VAL 27 Cb 0.21 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 2dog h VAL 27 CO 0.00 0.05 0.00 0.18 -1.01 0.00 0.00 177.57 176.79 2dog n LEU 28 N -3.40 0.00 -0.10 3.16 4.77 -0.91 -1.22 117.00 119.30 2dog n LEU 28 Ca -0.02 0.21 0.02 0.00 -0.03 0.00 0.00 56.01 56.19 2dog n LEU 28 Cb 0.19 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2dog n LEU 28 CO 0.26 -0.14 0.16 1.41 -1.33 0.00 0.00 177.39 177.76 2dog n HIS 29 N -1.21 0.00 -1.95 -1.77 8.25 -0.62 -5.04 115.22 112.89 2dog n HIS 29 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.23 2dog n HIS 29 Cb 0.07 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.32 2.56 0.00 2.41 1.43 -0.36 -4.99 118.68 118.41 2dog s LEU 30 Ca 0.04 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2dog s LEU 30 Cb 0.04 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.99 2dog s LEU 30 CO 0.13 -1.84 0.00 -0.62 0.23 0.00 0.00 176.35 174.24 2dog n GLU 31 N -3.25 0.00 -4.40 1.70 4.71 -1.26 -5.05 120.64 113.09 2dog n GLU 31 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 57.02 2dog n GLU 31 Cb 0.61 -0.62 -0.10 0.00 -1.01 0.00 0.00 31.44 30.32 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2dog s ARG 32 N -1.82 1.48 0.30 3.49 1.70 -1.26 -1.84 118.95 120.99 2dog s ARG 32 Ca 0.00 -1.67 0.03 0.00 -0.47 0.00 0.00 55.73 53.62 2dog s ARG 32 Cb 0.00 -1.39 -0.06 0.00 -0.57 0.00 0.00 34.95 32.94 2dog s ARG 32 CO 0.00 0.24 0.07 0.14 -1.08 0.00 0.00 175.30 174.67 2dog s VAL 33 N -2.79 0.96 -0.13 4.99 -7.23 0.15 -4.84 120.40 111.52 2dog s VAL 33 Ca 0.26 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2dog s VAL 33 Cb -0.02 -2.74 0.02 0.00 0.56 0.00 0.00 36.38 34.20 2dog s VAL 33 CO 0.10 0.00 -0.12 -0.47 -0.31 0.00 0.00 175.10 174.30 2dog s TYR 34 N -3.47 1.90 -0.75 2.82 5.04 -1.07 -0.08 117.35 121.74 2dog s TYR 34 Ca 0.37 -0.99 -0.23 0.00 -2.44 0.00 0.00 57.07 53.78 2dog s TYR 34 Cb 0.08 -1.43 0.07 0.00 0.35 0.00 0.00 41.96 41.03 2dog s TYR 34 CO 0.15 -0.56 1.10 0.08 -1.34 0.00 0.00 175.55 174.97 2dog s VAL 35 N 1.40 4.24 -0.52 3.14 1.01 -0.60 -2.11 120.40 126.96 2dog s VAL 35 Ca 0.01 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 2dog s VAL 35 Cb -0.13 -4.78 -0.06 0.00 0.00 0.00 0.00 36.38 31.40 2dog s VAL 35 CO -0.07 -1.59 2.33 -0.70 0.00 0.00 0.00 175.10 175.07 2dog s GLU 36 N 4.22 2.16 0.00 2.72 2.12 -0.94 -2.20 118.70 126.78 2dog s GLU 36 Ca 0.29 1.27 0.00 0.00 0.36 0.00 0.00 54.97 56.89 2dog s GLU 36 Cb -0.12 -4.56 0.00 0.00 0.26 0.00 0.00 34.13 29.71 2dog s GLU 36 CO 0.06 -3.23 0.00 0.41 -0.54 0.00 0.00 175.26 171.95 2dog n GLY 37 N 5.98 4.41 0.06 -1.50 0.00 -1.26 -4.39 105.19 108.49 2dog n GLY 37 Ca 0.35 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.77 1.61 8.25 -0.93 -5.16 115.22 115.21 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 3.60 0.96 3.80 -1.41 0.00 -1.18 -5.04 105.19 105.92 2dog n GLY 39 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.49 2.92 0.11 1.61 0.52 -1.26 -1.56 118.94 118.78 2dog s TRP 40 Ca 0.16 1.51 -0.06 0.00 0.02 0.00 0.00 56.10 57.74 2dog s TRP 40 Cb -0.04 -3.03 -0.02 0.00 -1.15 0.00 0.00 33.47 29.23 2dog s TRP 40 CO 0.10 -1.26 0.15 1.03 0.02 0.00 0.00 176.95 176.99 2dog s ARG 41 N -4.21 0.91 0.06 4.98 1.81 0.88 -4.79 118.95 118.59 2dog s ARG 41 Ca 0.64 -1.16 0.07 0.00 -1.72 0.00 0.00 55.73 53.55 2dog s ARG 41 Cb -0.17 0.31 -0.03 0.00 -0.45 0.00 0.00 34.95 34.61 2dog s ARG 41 CO 0.40 -0.28 -0.17 0.00 -0.68 0.00 0.00 175.30 174.57 2dog s ALA 42 N -3.94 2.65 -0.00 2.13 0.00 -1.26 0.35 121.76 121.68 2dog s ALA 42 Ca 0.13 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 50.63 2dog s ALA 42 Cb 0.06 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2dog s ALA 42 CO -0.05 0.58 0.68 0.42 0.00 0.00 0.00 175.76 177.39 2dog s ILE 43 N -1.00 4.88 -0.17 0.00 1.01 -0.77 -0.70 121.20 124.47 2dog s ILE 43 Ca 0.16 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.26 2dog s ILE 43 Cb -0.11 -4.02 -0.12 0.00 0.01 0.00 0.00 42.46 38.23 2dog s ILE 43 CO 0.07 0.36 -0.13 -0.62 0.00 0.00 0.00 174.94 174.62 2dog n GLU 44 N 3.02 0.57 -3.64 2.79 -0.58 -0.66 -4.88 120.64 117.26 2dog n GLU 44 Ca -0.04 0.09 -0.05 0.00 -0.42 0.00 0.00 57.16 56.74 2dog n GLU 44 Cb 0.51 -1.34 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 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 -5.55 -0.76 0.00 1.62 1.01 -1.24 -5.04 116.67 106.71 2dog s ASP 45 Ca -0.21 1.22 -0.10 0.00 0.71 0.00 0.00 52.55 54.17 2dog s ASP 45 Cb 0.06 1.31 0.01 0.00 1.01 0.00 0.00 42.92 45.31 2dog s ASP 45 CO 0.41 -0.19 0.20 -1.48 0.21 0.00 0.00 175.17 174.31 2dog s LEU 46 N 1.50 1.32 -0.20 1.23 0.05 -1.26 -1.03 118.68 120.29 2dog s LEU 46 Ca -0.09 -0.15 -0.27 0.00 0.05 0.00 0.00 54.13 53.67 2dog s LEU 46 Cb -0.04 0.90 0.07 0.00 -2.05 0.00 0.00 46.19 45.06 2dog s LEU 46 CO -0.18 -0.42 0.71 -0.72 -0.55 0.00 0.00 176.35 175.18 2dog s TYR 47 N -1.56 -0.75 -0.66 3.48 -0.85 -1.17 -5.01 117.35 110.84 2dog s TYR 47 Ca -0.13 1.67 -0.27 0.00 -0.52 0.00 0.00 57.07 57.82 2dog s TYR 47 Cb -0.06 0.31 0.02 0.00 0.38 0.00 0.00 41.96 42.61 2dog s TYR 47 CO 0.02 -0.45 1.39 -0.98 -1.52 0.00 0.00 175.55 174.00 2dog s ARG 48 N -0.12 3.18 -0.65 -3.49 1.70 -1.26 -2.12 118.95 116.18 2dog s ARG 48 Ca -0.03 0.12 -0.25 0.00 -0.47 0.00 0.00 55.73 55.09 2dog s ARG 48 Cb -0.03 -4.18 0.04 0.00 -0.57 0.00 0.00 34.95 30.21 2dog s ARG 48 CO 0.04 -2.12 1.10 0.08 -1.08 0.00 0.00 175.30 173.32 2dog s VAL 49 N 6.21 4.08 0.00 4.99 1.01 0.27 -4.83 120.40 132.13 2dog s VAL 49 Ca 0.45 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2dog s VAL 49 Cb -0.09 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.54 2dog s VAL 49 CO 0.20 -1.51 0.00 0.61 0.00 0.00 0.00 175.10 174.39 2dog n GLY 50 N 5.27 1.00 1.27 4.51 0.00 -1.26 -1.24 105.19 114.73 2dog n GLY 50 Ca 0.01 0.42 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 2dog n GLY 50 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dog n GLU 51 N 0.00 2.20 -4.04 1.61 4.07 -1.26 -5.00 120.64 118.22 2dog n GLU 51 Ca 0.00 -3.09 -0.13 0.00 -0.06 0.00 0.00 57.16 53.88 2dog n GLU 51 Cb 0.00 -1.88 -0.04 0.00 -0.06 0.00 0.00 31.44 29.46 2dog n GLU 51 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2dog s GLU 52 N -3.16 1.88 0.01 5.31 2.02 -0.37 -5.15 118.70 119.24 2dog s GLU 52 Ca 0.46 -1.64 0.03 0.00 0.02 0.00 0.00 54.97 53.84 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 0.04 -0.79 -0.11 -0.51 0.02 0.00 0.00 175.26 173.91 2dog s LEU 53 N -3.18 2.08 -0.29 1.80 1.43 -1.25 0.98 118.68 120.25 2dog s LEU 53 Ca 0.28 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2dog s LEU 53 Cb -0.01 -0.49 0.08 0.00 0.03 0.00 0.00 46.19 45.80 2dog s LEU 53 CO 0.17 0.06 0.01 -0.69 0.23 0.00 0.00 176.35 176.14 2dog s VAL 54 N -0.51 1.72 -0.10 -1.59 1.01 -0.90 0.51 120.40 120.54 2dog s VAL 54 Ca 0.02 -1.71 -0.16 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 34.14 2dog s VAL 54 CO 0.00 -0.40 0.40 -0.69 0.00 0.00 0.00 175.10 174.41 2dog s VAL 55 N 1.24 5.18 -0.53 2.92 1.01 0.54 -3.04 120.40 127.72 2dog s VAL 55 Ca 0.03 0.79 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 2dog s VAL 55 Cb -0.19 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.60 2dog s VAL 55 CO -0.11 0.42 0.42 -1.00 0.00 0.00 0.00 175.10 174.84 2dog s HIS 56 N 0.06 3.41 0.59 5.22 3.76 -0.20 -1.73 115.29 126.40 2dog s HIS 56 Ca 0.22 -1.78 -0.18 0.00 -0.15 0.00 0.00 55.06 53.18 2dog s HIS 56 Cb -0.15 -3.59 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 2dog s HIS 56 CO 0.09 -0.99 1.12 -0.51 -0.85 0.00 0.00 174.74 173.59 2dog s LEU 57 N 1.25 3.61 0.17 0.89 1.43 -1.26 -1.65 118.68 123.12 2dog s LEU 57 Ca 0.07 2.09 -0.31 0.00 -1.03 0.00 0.00 54.13 54.95 2dog s LEU 57 Cb -0.26 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.31 2dog s LEU 57 CO -0.01 -1.35 1.36 0.00 0.23 0.00 0.00 176.35 176.58 2dog s ALA 58 N -2.01 3.57 0.00 4.21 0.00 0.13 -3.32 121.76 124.34 2dog s ALA 58 Ca 0.70 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.80 2dog s ALA 58 Cb -0.22 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2dog s ALA 58 CO 0.32 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2dog n GLY 59 N 2.82 2.92 3.55 0.00 0.00 -1.26 -4.82 105.19 108.40 2dog n GLY 59 Ca 0.08 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 3.14 -0.06 1.61 1.01 -1.21 -4.71 120.40 120.17 2dog s VAL 60 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.14 2dog s VAL 60 Cb 0.00 -3.36 0.14 0.00 0.00 0.00 0.00 36.38 33.16 2dog s VAL 60 CO 0.00 -0.35 1.06 0.35 0.00 0.00 0.00 175.10 176.16 2dog n THR 61 N 7.75 1.36 -3.82 3.92 -2.24 -1.26 -4.65 114.28 115.34 2dog n THR 61 Ca 0.32 -1.55 -0.12 0.00 -2.27 0.00 0.00 64.05 60.43 2dog n THR 61 Cb 0.53 0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.89 -0.06 0.35 3.42 -4.77 -1.26 -4.42 116.67 108.05 2dog s ASP 62 Ca 0.16 -0.12 0.09 0.00 -3.30 0.00 0.00 52.55 49.38 2dog s ASP 62 Cb 0.14 0.26 0.82 0.00 -1.09 0.00 0.00 42.92 43.05 2dog s ASP 62 CO 0.01 -0.43 1.84 -0.09 0.70 0.00 0.00 175.17 177.20 2dog h ARG 63 N 3.98 0.67 0.15 2.11 2.43 -1.85 -2.19 114.38 119.67 2dog h ARG 63 Ca -0.31 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 2dog h ARG 63 Cb 1.19 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2dog h ARG 63 CO 0.41 0.44 -0.10 1.15 -1.51 0.00 0.00 179.97 180.37 2dog h THR 64 N 0.69 0.00 -1.08 0.20 2.02 -1.96 0.19 112.91 112.97 2dog h THR 64 Ca 0.50 0.00 0.32 0.00 0.77 0.00 0.00 66.41 68.00 2dog h THR 64 Cb 0.85 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.13 2dog h THR 64 CO -0.26 0.00 0.66 -0.07 0.37 0.00 0.00 175.52 176.22 2dog h LEU 65 N -0.23 0.46 0.14 2.58 3.38 -1.93 0.65 115.31 120.35 2dog h LEU 65 Ca -0.02 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2dog h LEU 65 Cb 0.19 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2dog h LEU 65 CO 0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 178.44 178.43 2dog h ALA 66 N 1.72 -0.19 -1.01 1.53 0.00 -1.11 -3.02 119.26 117.17 2dog h ALA 66 Ca 0.70 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.68 2dog h ALA 66 Cb 1.76 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.52 2dog h ALA 66 CO -0.46 -0.44 0.64 0.93 0.00 0.00 0.00 179.25 179.92 2dog h GLU 67 N -0.51 0.47 -0.10 0.00 5.08 0.17 0.53 114.58 120.22 2dog h GLU 67 Ca -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2dog h GLU 67 Cb 0.40 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2dog h GLU 67 CO 0.03 0.31 -0.07 0.00 -1.00 0.00 0.00 179.01 178.28 2dog h ALA 68 N 1.64 1.69 -0.61 3.43 0.00 -1.26 -1.55 119.26 122.60 2dog h ALA 68 Ca 0.59 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 2dog h ALA 68 Cb 1.33 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2dog h ALA 68 CO -0.33 0.23 0.07 1.28 0.00 0.00 0.00 179.25 180.51 2dog n LEU 69 N -4.37 5.78 -4.66 0.00 4.77 0.18 -4.92 117.00 113.78 2dog n LEU 69 Ca -0.01 -3.02 -0.37 0.00 -0.03 0.00 0.00 56.01 52.57 2dog n LEU 69 Cb 0.20 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.51 2dog n LEU 69 CO 0.36 0.68 -0.04 -0.69 -1.33 0.00 0.00 177.39 176.38 2dog s VAL 70 N -2.84 5.28 0.00 4.08 1.01 -0.58 -4.18 120.40 123.16 2dog s VAL 70 Ca 0.54 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2dog s VAL 70 Cb 0.42 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2dog s VAL 70 CO 0.15 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2dog n GLY 71 N 4.14 2.16 3.90 4.51 0.00 -1.26 -5.03 105.19 113.61 2dog n GLY 71 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 2.61 0.04 0.99 1.43 -1.26 -4.82 118.68 117.67 2dog s LEU 72 Ca 0.00 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.00 2dog s LEU 72 Cb 0.00 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2dog s LEU 72 CO 0.00 -1.75 -0.01 -0.13 0.23 0.00 0.00 176.35 174.69 2dog s ARG 73 N -5.51 2.66 -0.22 1.70 0.52 -1.26 -2.33 118.95 114.50 2dog s ARG 73 Ca 0.61 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.98 2dog s ARG 73 Cb -0.11 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.71 2dog s ARG 73 CO 0.50 0.58 0.19 0.08 0.02 0.00 0.00 175.30 176.67 2dog s VAL 74 N -1.18 5.35 0.18 3.52 1.01 -0.58 -2.21 120.40 126.48 2dog s VAL 74 Ca 0.22 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.52 2dog s VAL 74 Cb -0.12 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2dog s VAL 74 CO 0.14 0.35 0.12 -0.31 0.00 0.00 0.00 175.10 175.40 2dog s TYR 75 N 0.94 3.09 0.28 5.22 1.51 -0.90 -3.09 117.35 124.40 2dog s TYR 75 Ca 0.09 -0.05 0.10 0.00 -1.01 0.00 0.00 57.07 56.20 2dog s TYR 75 Cb -0.13 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 2dog s TYR 75 CO 0.04 0.52 -0.14 0.00 -1.11 0.00 0.00 175.55 174.86 2dog s ALA 76 N -1.81 2.55 -0.18 3.71 0.00 -0.15 -2.60 121.76 123.28 2dog s ALA 76 Ca 0.31 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2dog s ALA 76 Cb -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2dog s ALA 76 CO 0.23 0.13 -0.18 -2.00 0.00 0.00 0.00 175.76 173.94 2dog s GLU 77 N -3.60 3.06 0.33 0.00 2.56 -1.26 -1.87 118.70 117.92 2dog s GLU 77 Ca 0.29 -0.80 0.17 0.00 0.00 0.00 0.00 54.97 54.63 2dog s GLU 77 Cb -0.01 -2.63 0.92 0.00 2.00 0.00 0.00 34.13 34.41 2dog s GLU 77 CO 0.13 -0.18 1.46 0.28 -0.56 0.00 0.00 175.26 176.39 2dog n VAL 78 N 4.57 0.77 0.28 3.70 0.31 -1.25 -0.76 118.33 125.95 2dog n VAL 78 Ca -0.20 0.75 0.15 0.00 -0.01 0.00 0.00 64.34 65.02 2dog n VAL 78 Cb 0.50 -1.75 0.84 0.00 -0.91 0.00 0.00 33.84 32.53 2dog n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dog h ALA 79 N 1.52 1.27 0.00 3.52 0.00 -1.93 -2.83 119.26 120.81 2dog h ALA 79 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2dog h ALA 79 Cb 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2dog h ALA 79 CO 0.00 0.08 -1.86 -3.47 0.00 0.00 0.00 179.25 174.00 2dog n ASP 80 N -3.56 1.59 -4.74 0.00 2.03 0.06 -5.01 116.55 106.93 2dog n ASP 80 Ca -0.02 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.94 2dog n ASP 80 Cb 0.18 1.11 0.07 0.00 -0.72 0.00 0.00 41.12 41.76 2dog n ASP 80 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dog s LEU 81 N -4.70 3.44 0.98 -2.67 1.43 -1.07 -5.01 118.68 111.08 2dog s LEU 81 Ca -0.06 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 2dog s LEU 81 Cb 0.06 -4.59 0.18 0.00 0.03 0.00 0.00 46.19 41.87 2dog s LEU 81 CO 0.58 -1.97 1.09 -2.16 0.23 0.00 0.00 176.35 174.13 2dog s PRO 82 N -3.73 0.58 0.30 1.29 0.04 -1.26 -4.95 135.00 127.26 2dog s PRO 82 Ca 0.75 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.07 2dog s PRO 82 Cb -0.29 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 2dog s PRO 82 CO 0.41 -2.65 1.24 -1.25 0.04 0.00 0.00 177.00 174.79 2dog s PRO 83 N -4.96 4.46 0.53 0.56 0.04 -1.26 -4.92 135.00 129.45 2dog s PRO 83 Ca 0.65 2.05 0.32 0.00 0.04 0.00 0.00 61.00 64.06 2dog s PRO 83 Cb -0.18 -3.13 1.33 0.00 0.04 0.00 0.00 34.50 32.56 2dog s PRO 83 CO 0.57 -0.06 1.98 1.37 0.04 0.00 0.00 177.00 180.90 2dog h LEU 84 N 3.77 0.00 0.00 -3.56 -0.00 -2.01 -3.57 115.31 109.95 2dog h LEU 84 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2dog h LEU 84 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2dog h LEU 84 CO 0.67 0.05 0.00 1.21 -0.00 0.00 0.00 178.44 180.37