#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 1.88 -2.50 0.03 0.63 -1.26 -4.92 116.66 110.52 2dog n ARG 2 Ca 0.00 -1.30 -0.28 0.00 -0.92 0.00 0.00 57.85 55.35 2dog n ARG 2 Cb 0.00 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.15 2dog n ARG 2 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2dog s LEU 3 N -0.99 3.53 -0.03 6.15 1.43 -1.26 -4.32 118.68 123.19 2dog s LEU 3 Ca 0.44 0.99 -0.00 0.00 -1.03 0.00 0.00 54.13 54.53 2dog s LEU 3 Cb 0.26 -3.95 0.03 0.00 0.03 0.00 0.00 46.19 42.56 2dog s LEU 3 CO -0.06 -0.66 0.02 0.68 0.23 0.00 0.00 176.35 176.55 2dog s VAL 4 N -2.83 0.06 -0.12 -1.59 -7.23 -0.68 -4.91 120.40 103.10 2dog s VAL 4 Ca 0.49 0.18 -0.29 0.00 -1.81 0.00 0.00 61.98 60.54 2dog s VAL 4 Cb -0.10 -0.20 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 2dog s VAL 4 CO 0.46 0.13 1.41 -0.70 -0.31 0.00 0.00 175.10 176.10 2dog s GLU 5 N 1.22 4.21 -0.26 4.82 2.12 -1.26 -0.01 118.70 129.54 2dog s GLU 5 Ca -0.07 1.86 0.01 0.00 0.36 0.00 0.00 54.97 57.13 2dog s GLU 5 Cb -0.13 -3.85 -0.16 0.00 0.26 0.00 0.00 34.13 30.25 2dog s GLU 5 CO -0.02 -0.76 -0.24 0.44 -0.54 0.00 0.00 175.26 174.14 2dog n ILE 6 N 5.41 1.47 -3.96 -3.70 -5.35 -1.16 -4.95 119.36 107.13 2dog n ILE 6 Ca 0.15 -0.55 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 2dog n ILE 6 Cb 0.44 -1.44 -0.02 0.00 -1.74 0.00 0.00 39.64 36.88 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 -6.41 0.86 -0.02 3.28 0.00 -1.25 -2.23 107.32 101.55 2dog s GLY 7 Ca -0.35 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.26 2dog s GLY 7 CO 0.58 -0.64 0.08 -1.60 0.00 0.00 0.00 173.10 171.52 2dog s ARG 8 N -2.94 0.20 0.34 2.90 3.52 -0.60 -1.60 118.95 120.78 2dog s ARG 8 Ca 0.23 -0.07 -0.27 0.00 -0.13 0.00 0.00 55.73 55.48 2dog s ARG 8 Cb -0.03 0.09 -0.09 0.00 -1.56 0.00 0.00 34.95 33.36 2dog s ARG 8 CO 0.15 -0.04 1.16 -0.06 -0.81 0.00 0.00 175.30 175.70 2dog s PHE 9 N -0.42 3.28 0.00 5.12 0.08 -1.15 -2.09 117.98 122.80 2dog s PHE 9 Ca -0.05 1.59 0.00 0.00 0.12 0.00 0.00 56.93 58.59 2dog s PHE 9 Cb -0.03 -3.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 2dog s PHE 9 CO 0.00 -1.07 0.00 0.41 -0.10 0.00 0.00 175.22 174.46 2dog n GLY 10 N 0.85 -0.03 3.38 4.36 0.00 0.22 -3.84 105.19 110.14 2dog n GLY 10 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.22 2.35 -0.25 4.61 0.00 -1.26 -4.52 121.76 119.47 2dog s ALA 11 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 2dog s ALA 11 Cb 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 2dog s ALA 11 CO 0.00 0.53 1.63 -1.25 0.00 0.00 0.00 175.76 176.68 2dog s PRO 12 N -2.01 3.70 1.15 0.00 0.04 -1.26 -1.72 135.00 134.91 2dog s PRO 12 Ca 0.14 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 2dog s PRO 12 Cb -0.10 -4.06 0.23 0.00 0.04 0.00 0.00 34.50 30.61 2dog s PRO 12 CO 0.06 -1.41 0.47 0.98 0.04 0.00 0.00 177.00 177.14 2dog n TYR 13 N 8.79 -2.59 -0.89 0.56 9.36 0.17 -4.89 117.16 127.66 2dog n TYR 13 Ca 0.19 -0.22 -0.36 0.00 3.32 0.00 0.00 57.90 60.83 2dog n TYR 13 Cb 0.46 -1.41 0.08 0.00 -0.63 0.00 0.00 39.34 37.84 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 -4.82 -5.10 0.15 2.98 0.00 -1.26 -4.50 120.51 107.95 2dog n ALA 14 Ca 0.07 -1.24 0.19 0.00 0.00 0.00 0.00 53.44 52.46 2dog n ALA 14 Cb 0.45 -1.11 0.75 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.36 0.00 -1.99 0.00 3.38 -1.94 -1.88 115.31 111.52 2dog h LEU 15 Ca -0.44 0.00 0.56 0.00 0.09 0.00 0.00 57.88 58.08 2dog h LEU 15 Cb 1.37 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 2dog h LEU 15 CO 0.27 0.00 1.38 0.11 0.09 0.00 0.00 178.44 180.29 2dog h LYS 16 N 0.00 0.00 0.00 1.13 1.79 -1.84 -3.34 116.57 114.31 2dog h LYS 16 Ca 0.15 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2dog h LYS 16 Cb 1.01 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2dog h LYS 16 CO -0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2dog n GLY 17 N -1.91 1.68 3.94 3.86 0.00 -0.71 -4.51 105.19 107.54 2dog n GLY 17 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 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 1.35 -0.07 -0.02 0.00 -1.23 -4.33 107.32 101.01 2dog s GLY 18 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.84 2dog s GLY 18 CO 0.00 -0.82 -0.07 1.08 0.00 0.00 0.00 173.10 173.29 2dog s LEU 19 N -4.33 1.32 -0.44 0.66 1.43 -0.69 0.41 118.68 117.04 2dog s LEU 19 Ca 0.40 -0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 53.01 2dog s LEU 19 Cb -0.10 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 2dog s LEU 19 CO 0.36 -0.06 2.02 -0.13 0.23 0.00 0.00 176.35 178.77 2dog s ARG 20 N 1.15 2.80 -0.22 1.70 0.52 -0.70 -0.15 118.95 124.04 2dog s ARG 20 Ca -0.06 1.25 -0.06 0.00 -0.52 0.00 0.00 55.73 56.33 2dog s ARG 20 Cb -0.14 -4.37 -0.03 0.00 0.52 0.00 0.00 34.95 30.93 2dog s ARG 20 CO -0.01 -2.50 0.04 0.12 0.02 0.00 0.00 175.30 172.96 2dog s PHE 21 N 9.01 3.08 -0.50 -0.53 5.36 0.28 -0.61 117.98 134.07 2dog s PHE 21 Ca 0.83 -0.39 -0.05 0.00 -0.96 0.00 0.00 56.93 56.36 2dog s PHE 21 Cb -0.19 -2.15 0.13 0.00 -0.34 0.00 0.00 43.02 40.47 2dog s PHE 21 CO 0.28 -0.25 0.33 0.50 -1.46 0.00 0.00 175.22 174.62 2dog s ARG 22 N 1.19 2.34 0.26 10.12 3.00 -0.89 -3.49 118.95 131.49 2dog s ARG 22 Ca 0.04 -2.03 0.00 0.00 -1.00 0.00 0.00 55.73 52.74 2dog s ARG 22 Cb -0.14 -3.74 -0.03 0.00 0.00 0.00 0.00 34.95 31.03 2dog s ARG 22 CO 0.02 -1.14 0.25 0.20 0.00 0.00 0.00 175.30 174.64 2dog s GLY 23 N 1.73 1.64 0.88 8.12 0.00 -1.26 -1.56 107.32 116.88 2dog s GLY 23 Ca 0.10 -1.72 -0.14 0.00 0.00 0.00 0.00 44.72 42.97 2dog s GLY 23 CO -0.03 -1.30 0.54 1.18 0.00 0.00 0.00 173.10 173.48 2dog n GLU 24 N -0.43 -0.09 0.07 2.90 -0.58 -0.95 -4.86 120.64 116.71 2dog n GLU 24 Ca 0.03 0.02 0.10 0.00 -0.42 0.00 0.00 57.16 56.89 2dog n GLU 24 Cb 0.64 -1.92 0.41 0.00 -0.57 0.00 0.00 31.44 30.00 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 -1.67 0.11 0.12 3.49 -0.04 -1.26 -2.57 135.00 133.18 2dog n PRO 25 Ca 0.08 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 2dog n PRO 25 Cb 0.52 -1.71 0.49 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.92 0.93 0.32 0.52 3.14 -1.26 -2.12 118.33 117.94 2dog n VAL 26 Ca 0.03 0.36 0.11 0.00 -2.96 0.00 0.00 64.34 61.87 2dog n VAL 26 Cb 0.20 -1.29 0.50 0.00 -1.06 0.00 0.00 33.84 32.19 2dog n VAL 26 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2dog n VAL 27 N -2.17 0.92 0.91 1.55 3.14 -1.06 -1.90 118.33 119.72 2dog n VAL 27 Ca 0.01 0.38 0.09 0.00 -2.96 0.00 0.00 64.34 61.86 2dog n VAL 27 Cb 0.17 -1.33 0.47 0.00 -1.06 0.00 0.00 33.84 32.10 2dog n VAL 27 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2dog n LEU 28 N -2.20 0.00 -0.11 6.55 4.77 -0.90 -2.04 117.00 123.07 2dog n LEU 28 Ca 0.01 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.25 2dog n LEU 28 Cb 0.17 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2dog n LEU 28 CO 0.16 -0.09 0.14 1.41 -1.33 0.00 0.00 177.39 177.68 2dog n HIS 29 N -1.23 0.00 -2.00 -1.77 8.25 -0.80 -5.03 115.22 112.64 2dog n HIS 29 Ca 0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.27 2dog n HIS 29 Cb 0.13 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.52 2.68 0.00 2.41 1.43 -0.87 -5.03 118.68 117.79 2dog s LEU 30 Ca 0.04 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2dog s LEU 30 Cb 0.05 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2dog s LEU 30 CO 0.17 -2.28 0.00 -0.62 0.23 0.00 0.00 176.35 173.85 2dog n GLU 31 N -3.46 0.48 -4.53 1.70 1.02 -1.26 -5.06 120.64 109.53 2dog n GLU 31 Ca 0.12 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.02 2dog n GLU 31 Cb 0.60 -0.67 -0.11 0.00 -0.02 0.00 0.00 31.44 31.25 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 -1.33 1.80 0.27 3.49 1.70 -1.26 -1.30 118.95 122.32 2dog s ARG 32 Ca 0.00 -2.02 0.01 0.00 -0.47 0.00 0.00 55.73 53.25 2dog s ARG 32 Cb 0.00 -1.17 -0.03 0.00 -0.57 0.00 0.00 34.95 33.19 2dog s ARG 32 CO 0.00 -0.16 0.26 0.14 -1.08 0.00 0.00 175.30 174.46 2dog s VAL 33 N -3.06 0.00 -0.15 4.99 -7.23 0.93 -4.77 120.40 111.11 2dog s VAL 33 Ca 0.34 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2dog s VAL 33 Cb 0.09 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.57 2dog s VAL 33 CO 0.16 0.00 -0.04 -0.47 -0.31 0.00 0.00 175.10 174.44 2dog s TYR 34 N -3.74 1.53 -0.82 2.82 5.04 -1.14 -1.18 117.35 119.86 2dog s TYR 34 Ca 0.37 -0.94 -0.23 0.00 -2.44 0.00 0.00 57.07 53.82 2dog s TYR 34 Cb 0.04 -1.23 0.06 0.00 0.35 0.00 0.00 41.96 41.18 2dog s TYR 34 CO 0.18 -0.58 1.21 0.08 -1.34 0.00 0.00 175.55 175.10 2dog s VAL 35 N 1.69 4.12 -0.50 3.14 1.01 -0.56 -1.59 120.40 127.71 2dog s VAL 35 Ca 0.01 -0.46 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 2dog s VAL 35 Cb -0.15 -4.86 -0.07 0.00 0.00 0.00 0.00 36.38 31.30 2dog s VAL 35 CO -0.08 -1.70 2.39 -0.70 0.00 0.00 0.00 175.10 175.02 2dog s GLU 36 N 4.52 2.09 0.00 2.72 2.56 -0.69 -2.14 118.70 127.77 2dog s GLU 36 Ca 0.34 1.36 0.00 0.00 0.00 0.00 0.00 54.97 56.66 2dog s GLU 36 Cb -0.08 -4.59 0.00 0.00 2.00 0.00 0.00 34.13 31.46 2dog s GLU 36 CO 0.03 -3.30 0.00 0.41 -0.56 0.00 0.00 175.26 171.84 2dog n GLY 37 N 6.02 4.20 0.17 -1.50 0.00 -1.26 -4.21 105.19 108.61 2dog n GLY 37 Ca 0.36 -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 -3.78 1.61 8.25 -0.91 -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 3.57 0.96 3.69 -1.41 0.00 -1.18 -5.04 105.19 105.79 2dog n GLY 39 Ca 0.00 -1.23 -0.42 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 -2.39 3.49 0.38 1.61 0.52 -1.26 -1.50 118.94 119.79 2dog s TRP 40 Ca 0.16 1.53 0.08 0.00 0.02 0.00 0.00 56.10 57.89 2dog s TRP 40 Cb -0.04 -3.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 2dog s TRP 40 CO 0.11 -0.44 0.21 1.03 0.02 0.00 0.00 176.95 177.88 2dog s ARG 41 N 1.73 2.35 0.20 4.98 1.81 -0.32 -4.87 118.95 124.82 2dog s ARG 41 Ca 0.51 -1.66 0.10 0.00 -1.72 0.00 0.00 55.73 52.97 2dog s ARG 41 Cb -0.21 -2.14 -0.04 0.00 -0.45 0.00 0.00 34.95 32.10 2dog s ARG 41 CO 0.22 -0.04 -0.17 0.00 -0.68 0.00 0.00 175.30 174.64 2dog s ALA 42 N -2.50 2.76 -0.14 2.13 0.00 -1.26 -0.05 121.76 122.70 2dog s ALA 42 Ca 0.41 -1.60 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 2dog s ALA 42 Cb -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 2dog s ALA 42 CO 0.24 0.42 0.20 0.42 0.00 0.00 0.00 175.76 177.04 2dog s ILE 43 N -1.81 5.38 -0.14 0.00 1.01 -0.42 -0.68 121.20 124.55 2dog s ILE 43 Ca 0.24 0.35 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 2dog s ILE 43 Cb -0.08 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 2dog s ILE 43 CO 0.13 0.51 -0.15 -0.62 0.00 0.00 0.00 174.94 174.81 2dog n GLU 44 N 2.79 0.32 -3.60 2.79 -0.58 -0.59 -4.80 120.64 116.97 2dog n GLU 44 Ca -0.16 0.10 -0.15 0.00 -0.42 0.00 0.00 57.16 56.53 2dog n GLU 44 Cb 0.53 -1.16 -0.07 0.00 -0.57 0.00 0.00 31.44 30.17 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 -5.70 -0.70 0.20 1.62 1.01 -1.24 -5.03 116.67 106.83 2dog s ASP 45 Ca -0.19 1.20 -0.16 0.00 0.71 0.00 0.00 52.55 54.11 2dog s ASP 45 Cb 0.06 1.16 0.02 0.00 1.01 0.00 0.00 42.92 45.17 2dog s ASP 45 CO 0.28 -0.34 0.50 -1.48 0.21 0.00 0.00 175.17 174.34 2dog s LEU 46 N -0.07 0.20 -0.27 1.23 0.05 -1.26 -0.58 118.68 117.99 2dog s LEU 46 Ca -0.03 -0.58 -0.26 0.00 0.05 0.00 0.00 54.13 53.32 2dog s LEU 46 Cb -0.04 2.01 0.14 0.00 -2.05 0.00 0.00 46.19 46.25 2dog s LEU 46 CO 0.03 -1.05 1.10 -0.72 -0.55 0.00 0.00 176.35 175.15 2dog s TYR 47 N -3.90 -0.38 -0.78 3.48 -0.85 -1.17 -5.00 117.35 108.74 2dog s TYR 47 Ca 0.11 0.89 -0.26 0.00 -0.52 0.00 0.00 57.07 57.29 2dog s TYR 47 Cb -0.01 0.40 0.03 0.00 0.38 0.00 0.00 41.96 42.76 2dog s TYR 47 CO -0.01 -0.21 1.37 -0.98 -1.52 0.00 0.00 175.55 174.20 2dog s ARG 48 N -0.04 3.19 -0.64 -3.49 3.03 -1.26 -2.11 118.95 117.63 2dog s ARG 48 Ca 0.03 -0.31 -0.28 0.00 2.03 0.00 0.00 55.73 57.21 2dog s ARG 48 Cb -0.04 -4.41 0.03 0.00 -1.03 0.00 0.00 34.95 29.50 2dog s ARG 48 CO -0.06 -2.24 1.26 0.08 -1.13 0.00 0.00 175.30 173.21 2dog s VAL 49 N 6.01 3.87 0.00 4.99 1.01 0.28 -4.79 120.40 131.78 2dog s VAL 49 Ca 0.40 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2dog s VAL 49 Cb -0.07 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.55 2dog s VAL 49 CO 0.11 -1.51 0.00 0.61 0.00 0.00 0.00 175.10 174.31 2dog n GLY 50 N 5.21 0.55 1.04 4.51 0.00 -1.26 -1.17 105.19 114.07 2dog n GLY 50 Ca 0.07 0.56 -0.02 0.00 0.00 0.00 0.00 46.02 46.63 2dog n GLY 50 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dog n GLU 51 N 0.00 1.83 -4.00 1.61 0.28 -1.26 -5.02 120.64 114.08 2dog n GLU 51 Ca 0.00 -3.28 -0.12 0.00 -0.16 0.00 0.00 57.16 53.61 2dog n GLU 51 Cb 0.00 -1.78 -0.03 0.00 1.43 0.00 0.00 31.44 31.06 2dog n GLU 51 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2dog s GLU 52 N -3.27 1.87 -0.01 3.44 2.02 -0.31 -5.16 118.70 117.28 2dog s GLU 52 Ca 0.43 -1.53 0.03 0.00 0.02 0.00 0.00 54.97 53.92 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 -0.03 -0.80 -0.10 -0.51 0.02 0.00 0.00 175.26 173.84 2dog s LEU 53 N -3.13 2.03 -0.28 1.80 1.43 -1.23 0.99 118.68 120.29 2dog s LEU 53 Ca 0.25 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2dog s LEU 53 Cb -0.02 -0.50 0.08 0.00 0.03 0.00 0.00 46.19 45.78 2dog s LEU 53 CO 0.15 0.11 -0.02 -0.69 0.23 0.00 0.00 176.35 176.13 2dog s VAL 54 N -0.26 1.84 -0.06 -1.59 1.01 -0.90 0.99 120.40 121.43 2dog s VAL 54 Ca 0.03 -1.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.19 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 -0.30 0.38 -0.69 0.00 0.00 0.00 175.10 174.49 2dog s VAL 55 N 1.20 5.15 -0.48 2.92 1.01 0.79 -3.06 120.40 127.92 2dog s VAL 55 Ca 0.00 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 62.66 2dog s VAL 55 Cb -0.19 -3.70 0.12 0.00 0.00 0.00 0.00 36.38 32.62 2dog s VAL 55 CO -0.09 0.50 0.35 -1.00 0.00 0.00 0.00 175.10 174.86 2dog s HIS 56 N -0.44 3.45 0.61 5.22 3.76 0.26 -1.70 115.29 126.45 2dog s HIS 56 Ca 0.22 -1.94 -0.17 0.00 -0.15 0.00 0.00 55.06 53.02 2dog s HIS 56 Cb -0.15 -3.48 -0.03 0.00 1.11 0.00 0.00 32.58 30.03 2dog s HIS 56 CO 0.10 -0.99 1.11 -0.51 -0.85 0.00 0.00 174.74 173.61 2dog s LEU 57 N 1.28 3.54 0.04 0.89 1.43 -1.26 -1.54 118.68 123.06 2dog s LEU 57 Ca 0.06 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 2dog s LEU 57 Cb -0.26 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.34 2dog s LEU 57 CO -0.01 -1.44 1.48 0.00 0.23 0.00 0.00 176.35 176.61 2dog s ALA 58 N -2.12 3.62 0.00 4.21 0.00 0.15 -2.86 121.76 124.76 2dog s ALA 58 Ca 0.69 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2dog s ALA 58 Cb -0.22 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2dog s ALA 58 CO 0.35 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2dog n GLY 59 N 3.74 3.05 3.55 0.00 0.00 -1.26 -4.79 105.19 109.48 2dog n GLY 59 Ca 0.14 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.86 3.47 0.00 1.61 1.01 -1.14 -4.65 120.40 119.83 2dog s VAL 60 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2dog s VAL 60 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2dog s VAL 60 CO 0.00 -1.14 0.00 0.35 0.00 0.00 0.00 175.10 174.31 2dog n THR 61 N 7.17 0.00 -4.38 3.92 -2.24 -1.26 -4.56 114.28 112.94 2dog n THR 61 Ca 0.22 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 61.27 2dog n THR 61 Cb 0.51 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.98 3.03 0.19 3.42 1.47 -1.26 -3.44 116.67 119.10 2dog s ASP 62 Ca 0.00 -0.72 -0.19 0.00 1.18 0.00 0.00 52.55 52.82 2dog s ASP 62 Cb 0.00 -0.19 0.14 0.00 -0.34 0.00 0.00 42.92 42.53 2dog s ASP 62 CO 0.00 0.14 1.60 -0.09 0.68 0.00 0.00 175.17 177.50 2dog h ARG 63 N 3.99 -0.13 -0.21 2.11 2.43 -1.87 -2.27 114.38 118.44 2dog h ARG 63 Ca -0.49 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2dog h ARG 63 Cb 1.17 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 2dog h ARG 63 CO 0.39 -0.09 -0.21 1.15 -1.51 0.00 0.00 179.97 179.70 2dog h THR 64 N -0.14 0.00 -0.90 0.20 2.02 -1.96 0.25 112.91 112.38 2dog h THR 64 Ca 0.24 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.67 2dog h THR 64 Cb 0.52 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.78 2dog h THR 64 CO -0.63 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 175.37 2dog h LEU 65 N -0.11 -0.14 0.78 2.58 3.38 -1.86 -0.47 115.31 119.47 2dog h LEU 65 Ca 0.04 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2dog h LEU 65 Cb 0.21 0.33 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dog h LEU 65 CO -0.26 -0.23 -0.37 0.00 0.09 0.00 0.00 178.44 177.67 2dog h ALA 66 N 1.84 -1.05 -1.16 1.53 0.00 -0.44 -2.68 119.26 117.31 2dog h ALA 66 Ca 0.57 -0.23 0.33 0.00 0.00 0.00 0.00 54.91 55.57 2dog h ALA 66 Cb 1.18 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 2dog h ALA 66 CO -0.73 -1.06 0.77 0.93 0.00 0.00 0.00 179.25 179.16 2dog h GLU 67 N -1.11 0.22 -0.45 0.00 5.08 0.95 0.72 114.58 119.99 2dog h GLU 67 Ca -0.11 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2dog h GLU 67 Cb 0.81 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2dog h GLU 67 CO 0.18 0.15 0.17 0.00 -1.00 0.00 0.00 179.01 178.50 2dog h ALA 68 N 1.55 1.45 -0.84 3.43 0.00 -0.89 -1.97 119.26 121.99 2dog h ALA 68 Ca 0.64 -0.13 -0.35 0.00 0.00 0.00 0.00 54.91 55.07 2dog h ALA 68 Cb 1.97 -0.19 -0.21 0.00 0.00 0.00 0.00 17.79 19.36 2dog h ALA 68 CO -0.25 0.42 0.43 1.28 0.00 0.00 0.00 179.25 181.13 2dog n LEU 69 N -4.35 6.28 -4.61 0.00 4.77 0.25 -4.92 117.00 114.41 2dog n LEU 69 Ca 0.03 -3.43 -0.37 0.00 -0.03 0.00 0.00 56.01 52.22 2dog n LEU 69 Cb 0.16 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 2dog n LEU 69 CO 0.38 0.94 -0.20 -0.69 -1.33 0.00 0.00 177.39 176.49 2dog s VAL 70 N -3.15 5.10 0.00 4.08 1.01 -0.74 -4.34 120.40 122.36 2dog s VAL 70 Ca 0.55 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2dog s VAL 70 Cb 0.46 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.45 2dog s VAL 70 CO 0.12 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2dog n GLY 71 N 4.46 1.33 3.76 4.51 0.00 -1.25 -5.03 105.19 112.97 2dog n GLY 71 Ca -0.15 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 2.65 -0.08 0.99 1.43 -1.26 -4.81 118.68 117.60 2dog s LEU 72 Ca 0.00 1.55 -0.03 0.00 -1.03 0.00 0.00 54.13 54.62 2dog s LEU 72 Cb 0.00 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 2dog s LEU 72 CO 0.00 -2.18 0.05 -0.13 0.23 0.00 0.00 176.35 174.32 2dog s ARG 73 N -4.99 3.11 -0.14 1.70 3.00 -1.26 -2.92 118.95 117.45 2dog s ARG 73 Ca 0.62 -0.35 -0.17 0.00 0.00 0.00 0.00 55.73 55.83 2dog s ARG 73 Cb -0.16 -2.90 -0.04 0.00 0.00 0.00 0.00 34.95 31.84 2dog s ARG 73 CO 0.56 0.71 0.43 0.08 0.00 0.00 0.00 175.30 177.08 2dog s VAL 74 N -0.97 5.21 0.13 3.52 1.01 -0.63 -1.70 120.40 126.98 2dog s VAL 74 Ca 0.15 0.83 0.05 0.00 0.00 0.00 0.00 61.98 63.01 2dog s VAL 74 Cb -0.12 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2dog s VAL 74 CO 0.05 0.32 0.10 -0.31 0.00 0.00 0.00 175.10 175.26 2dog s TYR 75 N 0.71 3.13 0.36 5.22 1.51 -0.62 -2.97 117.35 124.69 2dog s TYR 75 Ca 0.23 0.00 0.09 0.00 -1.01 0.00 0.00 57.07 56.38 2dog s TYR 75 Cb -0.15 -1.54 -0.06 0.00 -0.11 0.00 0.00 41.96 40.11 2dog s TYR 75 CO 0.08 0.52 0.01 0.00 -1.11 0.00 0.00 175.55 175.05 2dog s ALA 76 N -1.60 3.19 -0.05 3.71 0.00 0.98 -2.88 121.76 125.10 2dog s ALA 76 Ca 0.30 -2.04 0.05 0.00 0.00 0.00 0.00 51.96 50.27 2dog s ALA 76 Cb -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2dog s ALA 76 CO 0.22 0.03 -0.21 -2.00 0.00 0.00 0.00 175.76 173.80 2dog s GLU 77 N -3.71 2.53 0.00 0.00 -6.30 -1.26 -1.68 118.70 108.28 2dog s GLU 77 Ca 0.35 -0.82 0.14 0.00 -2.50 0.00 0.00 54.97 52.14 2dog s GLU 77 Cb 0.02 -2.25 0.72 0.00 0.00 0.00 0.00 34.13 32.62 2dog s GLU 77 CO 0.19 0.47 1.38 0.28 0.02 0.00 0.00 175.26 177.61 2dog n VAL 78 N 2.71 0.59 0.08 3.70 0.31 -1.26 -2.39 118.33 122.07 2dog n VAL 78 Ca -0.17 0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 64.20 2dog n VAL 78 Cb 0.52 -0.91 -0.06 0.00 -0.91 0.00 0.00 33.84 32.48 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 2.68 0.37 0.11 3.52 0.00 -1.94 -3.33 119.26 120.66 2dog h ALA 79 Ca 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 54.91 53.92 2dog h ALA 79 Cb 0.13 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.87 2dog h ALA 79 CO 0.00 0.94 -1.01 -0.44 0.00 0.00 0.00 179.25 178.74 2dog h ASP 80 N 0.11 0.35 -1.80 0.00 5.19 -1.91 -3.47 116.42 114.90 2dog h ASP 80 Ca -0.07 -0.89 -0.63 0.00 -0.62 0.00 0.00 57.03 54.83 2dog h ASP 80 Cb 1.66 -0.12 0.14 0.00 0.18 0.00 0.00 39.33 41.19 2dog h ASP 80 CO 0.16 1.45 -0.56 0.18 -3.12 0.00 0.00 179.24 177.35 2dog n LEU 81 N -4.11 -1.07 -4.77 1.55 4.77 -1.19 -4.89 117.00 107.28 2dog n LEU 81 Ca -0.19 0.96 -0.36 0.00 -0.03 0.00 0.00 56.01 56.39 2dog n LEU 81 Cb 0.81 -1.01 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2dog n LEU 81 CO 0.42 -3.20 0.80 -2.16 -1.33 0.00 0.00 177.39 171.92 2dog s PRO 82 N -1.25 3.51 0.35 3.23 0.04 -1.26 -5.00 135.00 134.62 2dog s PRO 82 Ca 0.62 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 2dog s PRO 82 Cb -0.71 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 2dog s PRO 82 CO 0.59 -0.74 1.21 -1.25 0.04 0.00 0.00 177.00 176.85 2dog s PRO 83 N -3.07 4.28 -0.90 0.56 0.04 -1.26 -4.99 135.00 129.66 2dog s PRO 83 Ca 0.69 1.98 -0.04 0.00 0.04 0.00 0.00 61.00 63.68 2dog s PRO 83 Cb -0.26 -2.93 0.22 0.00 0.04 0.00 0.00 34.50 31.58 2dog s PRO 83 CO 0.30 -0.17 0.81 -0.51 0.04 0.00 0.00 177.00 177.47 2dog s LEU 84 N -2.01 5.73 0.00 -3.56 1.43 -1.26 -5.31 118.68 113.69 2dog s LEU 84 Ca 0.51 -3.56 0.00 0.00 -1.03 0.00 0.00 54.13 50.05 2dog s LEU 84 Cb -0.35 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 43.90 2dog s LEU 84 CO 0.45 -0.24 0.12 1.21 0.23 0.00 0.00 176.35 178.12