#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 3.50 0.12 0.03 0.52 -1.26 -4.98 118.95 116.88 2dog s ARG 2 Ca 0.00 -1.37 0.06 0.00 -0.52 0.00 0.00 55.73 53.89 2dog s ARG 2 Cb 0.00 -4.89 -0.04 0.00 0.52 0.00 0.00 34.95 30.54 2dog s ARG 2 CO 0.00 -1.91 -0.14 -0.51 0.02 0.00 0.00 175.30 172.76 2dog s LEU 3 N 3.65 2.41 -0.07 2.53 1.43 -1.26 -4.03 118.68 123.34 2dog s LEU 3 Ca 0.35 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 2dog s LEU 3 Cb -0.06 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.65 2dog s LEU 3 CO -0.05 -0.15 0.18 0.68 0.23 0.00 0.00 176.35 177.24 2dog s VAL 4 N -2.19 -0.01 -0.13 -1.59 -7.23 -0.78 -4.92 120.40 103.55 2dog s VAL 4 Ca 0.09 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.00 2dog s VAL 4 Cb -0.05 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 2dog s VAL 4 CO 0.03 0.01 1.40 -0.70 -0.31 0.00 0.00 175.10 175.53 2dog s GLU 5 N 0.30 4.20 -0.25 4.82 2.12 -1.26 -0.61 118.70 128.03 2dog s GLU 5 Ca -0.02 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.14 2dog s GLU 5 Cb -0.03 -3.84 -0.16 0.00 0.26 0.00 0.00 34.13 30.36 2dog s GLU 5 CO -0.01 -0.77 -0.23 0.44 -0.54 0.00 0.00 175.26 174.15 2dog n ILE 6 N 5.44 1.41 -3.86 -3.70 -5.35 -1.18 -4.96 119.36 107.15 2dog n ILE 6 Ca 0.15 -0.52 -0.08 0.00 -0.27 0.00 0.00 62.75 62.03 2dog n ILE 6 Cb 0.44 -1.42 -0.01 0.00 -1.74 0.00 0.00 39.64 36.91 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 -6.29 0.16 0.03 3.28 0.00 -1.25 -1.21 107.32 102.04 2dog s GLY 7 Ca -0.33 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 43.88 2dog s GLY 7 CO 0.56 -0.24 -0.11 -1.60 0.00 0.00 0.00 173.10 171.71 2dog s ARG 8 N -3.39 0.73 0.30 2.90 3.52 -0.73 -1.64 118.95 120.64 2dog s ARG 8 Ca 0.14 -0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 2dog s ARG 8 Cb -0.05 -0.67 -0.10 0.00 -1.56 0.00 0.00 34.95 32.57 2dog s ARG 8 CO 0.09 0.16 1.14 -0.06 -0.81 0.00 0.00 175.30 175.82 2dog s PHE 9 N -0.86 3.46 0.00 5.12 0.08 -1.12 -1.92 117.98 122.74 2dog s PHE 9 Ca -0.01 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.68 2dog s PHE 9 Cb -0.07 -3.35 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 2dog s PHE 9 CO 0.01 -0.80 0.00 0.41 -0.10 0.00 0.00 175.22 174.74 2dog n GLY 10 N 1.08 0.23 3.63 4.36 0.00 0.11 -3.59 105.19 111.00 2dog n GLY 10 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.06 3.12 -0.30 4.61 0.00 -1.26 -4.47 121.76 120.40 2dog s ALA 11 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 2dog s ALA 11 Cb 0.00 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2dog s ALA 11 CO 0.00 0.66 1.67 -1.25 0.00 0.00 0.00 175.76 176.84 2dog s PRO 12 N -1.97 3.54 1.06 0.00 0.04 -1.26 -1.71 135.00 134.70 2dog s PRO 12 Ca 0.22 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 2dog s PRO 12 Cb -0.11 -4.11 0.17 0.00 0.04 0.00 0.00 34.50 30.49 2dog s PRO 12 CO 0.13 -1.61 0.30 0.98 0.04 0.00 0.00 177.00 176.84 2dog n TYR 13 N 9.40 -2.32 -0.94 0.56 9.36 0.31 -4.86 117.16 128.67 2dog n TYR 13 Ca 0.20 -0.05 -0.36 0.00 3.32 0.00 0.00 57.90 61.02 2dog n TYR 13 Cb 0.46 -1.41 0.06 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 -4.51 -4.89 -0.53 2.98 0.00 -1.26 -4.45 120.51 107.85 2dog n ALA 14 Ca 0.06 -0.79 0.44 0.00 0.00 0.00 0.00 53.44 53.15 2dog n ALA 14 Cb 0.42 -1.25 0.78 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.17 0.03 -1.53 0.00 3.38 -1.94 -0.38 115.31 113.70 2dog h LEU 15 Ca -0.44 0.01 0.45 0.00 0.09 0.00 0.00 57.88 58.00 2dog h LEU 15 Cb 1.31 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 2dog h LEU 15 CO 0.26 -0.01 1.09 0.29 0.09 0.00 0.00 178.44 180.16 2dog n LYS 16 N -4.10 -0.00 0.00 1.13 4.76 -1.26 -3.93 118.16 114.76 2dog n LYS 16 Ca 0.36 0.88 0.00 0.00 -2.87 0.00 0.00 58.31 56.68 2dog n LYS 16 Cb 1.65 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.84 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 -1.70 1.29 3.84 0.72 0.00 -0.15 -4.32 105.19 104.87 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 1.94 -0.09 -0.02 0.00 -1.23 -4.57 107.32 101.36 2dog s GLY 18 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.86 2dog s GLY 18 CO 0.00 0.42 -0.08 1.08 0.00 0.00 0.00 173.10 174.52 2dog s LEU 19 N -4.54 1.29 -0.53 0.66 1.43 -0.62 0.11 118.68 116.49 2dog s LEU 19 Ca 0.59 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 2dog s LEU 19 Cb -0.11 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2dog s LEU 19 CO 0.40 -0.07 1.97 -0.13 0.23 0.00 0.00 176.35 178.75 2dog s ARG 20 N 1.32 2.65 -0.24 1.70 0.52 -0.69 0.02 118.95 124.24 2dog s ARG 20 Ca -0.03 0.96 -0.08 0.00 -0.52 0.00 0.00 55.73 56.07 2dog s ARG 20 Cb -0.14 -4.39 -0.03 0.00 0.52 0.00 0.00 34.95 30.90 2dog s ARG 20 CO -0.03 -2.68 0.08 0.12 0.02 0.00 0.00 175.30 172.81 2dog s PHE 21 N 9.33 3.13 -0.52 -0.53 5.36 0.20 0.06 117.98 135.02 2dog s PHE 21 Ca 0.77 -0.26 -0.06 0.00 -0.96 0.00 0.00 56.93 56.41 2dog s PHE 21 Cb -0.16 -2.22 0.13 0.00 -0.34 0.00 0.00 43.02 40.44 2dog s PHE 21 CO 0.24 -0.23 0.36 0.50 -1.46 0.00 0.00 175.22 174.63 2dog s ARG 22 N 1.37 2.44 0.26 10.12 3.52 -0.81 -3.66 118.95 132.19 2dog s ARG 22 Ca 0.05 -2.02 0.00 0.00 -0.13 0.00 0.00 55.73 53.64 2dog s ARG 22 Cb -0.15 -3.81 -0.03 0.00 -1.56 0.00 0.00 34.95 29.40 2dog s ARG 22 CO 0.04 -1.16 0.25 0.20 -0.81 0.00 0.00 175.30 173.82 2dog s GLY 23 N 1.90 1.65 0.83 8.12 0.00 -1.26 -1.78 107.32 116.78 2dog s GLY 23 Ca 0.10 -1.72 -0.15 0.00 0.00 0.00 0.00 44.72 42.95 2dog s GLY 23 CO -0.03 -1.30 0.21 1.18 0.00 0.00 0.00 173.10 173.16 2dog n GLU 24 N -0.43 0.03 0.17 2.90 -0.58 -0.35 -4.85 120.64 117.53 2dog n GLU 24 Ca 0.03 0.04 0.13 0.00 -0.42 0.00 0.00 57.16 56.95 2dog n GLU 24 Cb 0.64 -1.64 0.55 0.00 -0.57 0.00 0.00 31.44 30.42 2dog n GLU 24 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dog h PRO 25 N -0.85 0.00 0.00 3.49 0.13 -2.01 -2.78 132.00 129.98 2dog h PRO 25 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dog h PRO 25 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2dog h PRO 25 CO 0.36 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 179.68 2dog n VAL 26 N -2.47 1.12 0.28 1.56 3.14 -1.26 -2.12 118.33 118.58 2dog n VAL 26 Ca 0.02 0.36 0.16 0.00 -2.96 0.00 0.00 64.34 61.91 2dog n VAL 26 Cb 0.24 -1.25 0.78 0.00 -1.06 0.00 0.00 33.84 32.56 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 0.27 0.00 1.55 3.04 -1.83 -2.11 116.25 117.16 2dog h VAL 27 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2dog h VAL 27 Cb 0.21 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 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 -3.32 0.00 -0.24 3.16 4.77 -0.90 -1.18 117.00 119.29 2dog n LEU 28 Ca -0.01 0.18 0.04 0.00 -0.03 0.00 0.00 56.01 56.19 2dog n LEU 28 Cb 0.25 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2dog n LEU 28 CO 0.28 -0.11 0.27 1.41 -1.33 0.00 0.00 177.39 177.90 2dog n HIS 29 N -1.18 0.00 -2.73 -1.77 8.25 -0.79 -5.02 115.22 111.98 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 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.18 3.73 -0.11 2.41 1.43 -0.32 -4.94 118.68 119.71 2dog s LEU 30 Ca 0.08 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 2dog s LEU 30 Cb 0.07 -3.99 -0.07 0.00 0.03 0.00 0.00 46.19 42.23 2dog s LEU 30 CO 0.16 -0.49 -0.10 -1.84 0.23 0.00 0.00 176.35 174.32 2dog n GLU 31 N -1.71 0.26 -4.65 1.70 0.28 -1.26 -5.02 120.64 110.24 2dog n GLU 31 Ca 0.02 0.07 -0.29 0.00 -0.16 0.00 0.00 57.16 56.79 2dog n GLU 31 Cb 0.54 -1.17 -0.10 0.00 1.43 0.00 0.00 31.44 32.14 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 2dog s ARG 32 N -2.21 2.02 0.20 3.44 1.70 -1.26 -2.31 118.95 120.53 2dog s ARG 32 Ca -0.14 -2.20 -0.04 0.00 -0.47 0.00 0.00 55.73 52.88 2dog s ARG 32 Cb 0.04 -1.50 -0.03 0.00 -0.57 0.00 0.00 34.95 32.89 2dog s ARG 32 CO 0.24 -0.19 0.20 0.14 -1.08 0.00 0.00 175.30 174.61 2dog s VAL 33 N -2.84 0.01 -0.14 4.99 -7.23 0.67 -4.79 120.40 111.08 2dog s VAL 33 Ca 0.25 -1.86 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2dog s VAL 33 Cb 0.07 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.64 2dog s VAL 33 CO 0.12 -0.04 -0.10 -0.47 -0.31 0.00 0.00 175.10 174.30 2dog s TYR 34 N -4.12 1.83 -0.80 2.82 5.04 -1.14 -0.70 117.35 120.29 2dog s TYR 34 Ca 0.34 -1.01 -0.22 0.00 -2.44 0.00 0.00 57.07 53.74 2dog s TYR 34 Cb 0.05 -1.41 0.08 0.00 0.35 0.00 0.00 41.96 41.03 2dog s TYR 34 CO 0.10 -0.60 1.13 0.08 -1.34 0.00 0.00 175.55 174.92 2dog s VAL 35 N 1.60 4.29 -0.51 3.14 1.01 -0.60 -1.82 120.40 127.51 2dog s VAL 35 Ca 0.04 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2dog s VAL 35 Cb -0.13 -4.80 -0.07 0.00 0.00 0.00 0.00 36.38 31.38 2dog s VAL 35 CO -0.09 -1.60 2.39 -0.70 0.00 0.00 0.00 175.10 175.10 2dog s GLU 36 N 4.05 2.09 0.00 2.72 2.56 -1.05 -2.12 118.70 126.95 2dog s GLU 36 Ca 0.30 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.62 2dog s GLU 36 Cb -0.10 -4.59 0.00 0.00 2.00 0.00 0.00 34.13 31.45 2dog s GLU 36 CO 0.02 -3.31 0.00 0.41 -0.56 0.00 0.00 175.26 171.82 2dog n GLY 37 N 6.02 4.23 0.11 -1.50 0.00 -1.26 -4.35 105.19 108.45 2dog n GLY 37 Ca 0.36 -0.66 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 -3.77 1.61 8.25 -0.90 -5.16 115.22 115.24 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 3.61 0.96 3.74 -1.41 0.00 -1.18 -5.04 105.19 105.88 2dog n GLY 39 Ca 0.00 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.46 3.80 0.37 1.61 0.52 -1.26 -1.56 118.94 119.96 2dog s TRP 40 Ca 0.16 1.79 0.04 0.00 0.02 0.00 0.00 56.10 58.11 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 0.02 0.05 1.03 0.02 0.00 0.00 176.95 178.18 2dog s ARG 41 N -0.69 1.82 0.20 4.98 1.81 0.13 -4.86 118.95 122.33 2dog s ARG 41 Ca 0.45 -2.05 0.11 0.00 -1.72 0.00 0.00 55.73 52.53 2dog s ARG 41 Cb -0.27 -1.05 -0.04 0.00 -0.45 0.00 0.00 34.95 33.13 2dog s ARG 41 CO 0.33 -0.22 -0.23 0.00 -0.68 0.00 0.00 175.30 174.49 2dog s ALA 42 N -3.12 2.53 -0.17 2.13 0.00 -1.26 -0.24 121.76 121.63 2dog s ALA 42 Ca 0.31 -1.66 -0.18 0.00 0.00 0.00 0.00 51.96 50.44 2dog s ALA 42 Cb 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2dog s ALA 42 CO 0.15 0.41 0.47 0.42 0.00 0.00 0.00 175.76 177.20 2dog s ILE 43 N -1.77 5.17 -0.25 0.00 1.01 -0.98 -1.39 121.20 122.99 2dog s ILE 43 Ca 0.21 0.89 -0.14 0.00 0.00 0.00 0.00 60.65 61.61 2dog s ILE 43 Cb -0.08 -3.80 -0.16 0.00 0.01 0.00 0.00 42.46 38.44 2dog s ILE 43 CO 0.10 0.26 -0.13 -0.62 0.00 0.00 0.00 174.94 174.55 2dog n GLU 44 N 4.23 0.60 -3.64 2.79 -0.58 0.42 -4.89 120.64 119.57 2dog n GLU 44 Ca -0.07 0.35 -0.05 0.00 -0.42 0.00 0.00 57.16 56.97 2dog n GLU 44 Cb 0.51 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 29.73 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 -7.19 -1.01 0.07 1.62 2.15 -1.19 -5.02 116.67 106.11 2dog s ASP 45 Ca -0.34 1.53 0.00 0.00 0.43 0.00 0.00 52.55 54.17 2dog s ASP 45 Cb 0.11 1.70 -0.04 0.00 -0.30 0.00 0.00 42.92 44.39 2dog s ASP 45 CO 0.55 -0.23 -0.05 -1.48 -0.17 0.00 0.00 175.17 173.79 2dog s LEU 46 N 2.08 2.50 -0.28 -1.34 0.05 -1.26 -1.07 118.68 119.36 2dog s LEU 46 Ca -0.09 -1.00 -0.25 0.00 0.05 0.00 0.00 54.13 52.84 2dog s LEU 46 Cb -0.08 0.07 0.14 0.00 -2.05 0.00 0.00 46.19 44.27 2dog s LEU 46 CO -0.20 -0.53 1.11 -0.72 -0.55 0.00 0.00 176.35 175.46 2dog s TYR 47 N -3.76 -0.39 -0.68 3.48 -0.85 -1.17 -5.01 117.35 108.96 2dog s TYR 47 Ca 0.09 0.95 -0.27 0.00 -0.52 0.00 0.00 57.07 57.32 2dog s TYR 47 Cb 0.07 0.39 0.01 0.00 0.38 0.00 0.00 41.96 42.81 2dog s TYR 47 CO -0.07 -0.20 1.45 -0.98 -1.52 0.00 0.00 175.55 174.23 2dog s ARG 48 N 0.13 3.07 -0.57 -3.49 1.70 -1.26 -2.17 118.95 116.36 2dog s ARG 48 Ca 0.04 0.10 -0.26 0.00 -0.47 0.00 0.00 55.73 55.13 2dog s ARG 48 Cb -0.05 -4.22 0.04 0.00 -0.57 0.00 0.00 34.95 30.15 2dog s ARG 48 CO -0.08 -2.26 1.08 0.08 -1.08 0.00 0.00 175.30 173.04 2dog s VAL 49 N 6.62 4.19 0.00 4.99 1.01 0.27 -4.82 120.40 132.66 2dog s VAL 49 Ca 0.46 0.60 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2dog s VAL 49 Cb -0.10 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2dog s VAL 49 CO 0.18 -1.25 0.00 0.61 0.00 0.00 0.00 175.10 174.64 2dog n GLY 50 N 5.10 0.86 1.23 4.51 0.00 -1.26 -0.87 105.19 114.76 2dog n GLY 50 Ca 0.05 0.52 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 2.04 -4.04 1.61 4.07 -1.26 -5.00 120.64 118.06 2dog n GLU 51 Ca 0.00 -3.12 -0.13 0.00 -0.06 0.00 0.00 57.16 53.85 2dog n GLU 51 Cb 0.00 -1.86 -0.03 0.00 -0.06 0.00 0.00 31.44 29.49 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 -3.19 1.89 -0.01 5.31 2.02 -0.05 -5.16 118.70 119.51 2dog s GLU 52 Ca 0.45 -1.63 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 35.10 2dog s GLU 52 CO 0.02 -0.80 -0.10 -0.51 0.02 0.00 0.00 175.26 173.89 2dog s LEU 53 N -3.18 1.98 -0.31 1.80 1.43 -1.24 0.97 118.68 120.14 2dog s LEU 53 Ca 0.27 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2dog s LEU 53 Cb -0.01 -0.51 0.09 0.00 0.03 0.00 0.00 46.19 45.79 2dog s LEU 53 CO 0.17 0.11 0.04 -0.69 0.23 0.00 0.00 176.35 176.21 2dog s VAL 54 N -0.16 1.72 -0.07 -1.59 1.01 -0.92 0.62 120.40 121.00 2dog s VAL 54 Ca 0.03 -1.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.03 2dog s VAL 54 Cb -0.05 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2dog s VAL 54 CO -0.00 -0.50 0.39 -0.69 0.00 0.00 0.00 175.10 174.29 2dog s VAL 55 N 1.22 5.16 -0.39 2.92 1.01 0.10 -3.07 120.40 127.35 2dog s VAL 55 Ca 0.07 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 2dog s VAL 55 Cb -0.18 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.55 2dog s VAL 55 CO -0.13 0.47 0.20 -1.00 0.00 0.00 0.00 175.10 174.64 2dog s HIS 56 N -0.27 3.32 0.98 5.22 3.76 -0.23 -1.59 115.29 126.48 2dog s HIS 56 Ca 0.22 -1.54 -0.12 0.00 -0.15 0.00 0.00 55.06 53.47 2dog s HIS 56 Cb -0.15 -2.71 0.18 0.00 1.11 0.00 0.00 32.58 31.01 2dog s HIS 56 CO 0.10 -0.81 1.09 -0.51 -0.85 0.00 0.00 174.74 173.77 2dog s LEU 57 N 1.40 1.74 0.36 0.89 1.43 -1.26 -0.44 118.68 122.80 2dog s LEU 57 Ca 0.02 1.24 -0.26 0.00 -1.03 0.00 0.00 54.13 54.10 2dog s LEU 57 Cb -0.22 -3.47 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 2dog s LEU 57 CO 0.02 -3.02 1.07 0.00 0.23 0.00 0.00 176.35 174.64 2dog s ALA 58 N -2.97 3.18 0.00 4.21 0.00 -0.49 -3.89 121.76 121.80 2dog s ALA 58 Ca 0.65 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2dog s ALA 58 Cb -0.18 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2dog s ALA 58 CO 0.57 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.54 2dog n GLY 59 N 0.63 1.28 3.52 0.00 0.00 -1.26 -4.89 105.19 104.48 2dog n GLY 59 Ca 0.03 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.03 -2.06 1.61 0.31 -1.25 -4.69 118.33 112.22 2dog n VAL 60 Ca 0.00 -0.41 0.04 0.00 -0.01 0.00 0.00 64.34 63.95 2dog n VAL 60 Cb 0.00 -1.39 0.11 0.00 -0.91 0.00 0.00 33.84 31.65 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 7.53 1.21 -3.58 2.52 -2.24 -1.26 -4.67 114.28 113.79 2dog n THR 61 Ca 0.54 -2.28 -0.16 0.00 -2.27 0.00 0.00 64.05 59.88 2dog n THR 61 Cb 0.27 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.73 -0.50 0.42 3.42 -4.77 -1.25 -4.43 116.67 106.83 2dog s ASP 62 Ca 0.36 0.40 0.13 0.00 -3.30 0.00 0.00 52.55 50.14 2dog s ASP 62 Cb 0.38 0.49 0.98 0.00 -1.09 0.00 0.00 42.92 43.68 2dog s ASP 62 CO -0.11 -0.63 1.97 -0.09 0.70 0.00 0.00 175.17 177.01 2dog h ARG 63 N 3.04 0.45 0.83 2.11 2.43 -1.87 -1.54 114.38 119.83 2dog h ARG 63 Ca -0.29 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.81 2dog h ARG 63 Cb 1.18 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2dog h ARG 63 CO 0.40 0.30 -0.40 1.15 -1.51 0.00 0.00 179.97 179.91 2dog h THR 64 N 0.46 0.14 -0.57 0.20 2.02 -1.96 0.24 112.91 113.44 2dog h THR 64 Ca 0.28 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.45 2dog h THR 64 Cb 0.50 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 2dog h THR 64 CO -0.08 0.00 0.29 -0.07 0.37 0.00 0.00 175.52 176.03 2dog h LEU 65 N -1.18 0.40 0.61 2.58 3.38 -1.89 -2.12 115.31 117.09 2dog h LEU 65 Ca -0.11 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2dog h LEU 65 Cb 0.86 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.58 2dog h LEU 65 CO 0.19 0.27 -0.30 0.00 0.09 0.00 0.00 178.44 178.69 2dog h ALA 66 N 1.32 -0.83 -1.02 1.53 0.00 -1.23 -2.74 119.26 116.30 2dog h ALA 66 Ca 0.26 -0.19 0.28 0.00 0.00 0.00 0.00 54.91 55.26 2dog h ALA 66 Cb 0.18 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 2dog h ALA 66 CO -0.19 -0.94 0.61 0.93 0.00 0.00 0.00 179.25 179.66 2dog h GLU 67 N -0.87 0.44 -0.03 0.00 5.08 -0.31 0.88 114.58 119.76 2dog h GLU 67 Ca -0.08 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2dog h GLU 67 Cb 0.65 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2dog h GLU 67 CO 0.14 0.29 -0.06 0.00 -1.00 0.00 0.00 179.01 178.38 2dog h ALA 68 N 1.75 1.85 -0.61 3.43 0.00 -1.08 -1.45 119.26 123.15 2dog h ALA 68 Ca 0.68 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 55.32 2dog h ALA 68 Cb 1.48 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 19.12 2dog h ALA 68 CO -0.50 0.12 0.20 1.28 0.00 0.00 0.00 179.25 180.35 2dog n LEU 69 N -4.44 5.43 -4.60 0.00 4.77 0.30 -4.93 117.00 113.53 2dog n LEU 69 Ca -0.02 -3.31 -0.38 0.00 -0.03 0.00 0.00 56.01 52.27 2dog n LEU 69 Cb 0.15 -0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 40.44 2dog n LEU 69 CO 0.35 0.88 -0.17 -0.69 -1.33 0.00 0.00 177.39 176.43 2dog s VAL 70 N -3.04 5.31 0.00 4.08 1.01 -0.55 -4.34 120.40 122.88 2dog s VAL 70 Ca 0.51 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2dog s VAL 70 Cb 0.42 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2dog s VAL 70 CO 0.10 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2dog n GLY 71 N 4.93 2.27 3.69 4.51 0.00 -1.24 -5.02 105.19 114.33 2dog n GLY 71 Ca -0.14 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 2.67 -0.15 0.99 1.43 -1.26 -4.69 118.68 117.67 2dog s LEU 72 Ca 0.00 1.95 -0.07 0.00 -1.03 0.00 0.00 54.13 54.98 2dog s LEU 72 Cb 0.00 -4.39 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 2dog s LEU 72 CO 0.00 -2.81 0.08 -0.13 0.23 0.00 0.00 176.35 173.71 2dog s ARG 73 N -4.74 3.71 0.10 1.70 3.00 -1.26 -2.80 118.95 118.65 2dog s ARG 73 Ca 0.65 -0.29 -0.21 0.00 0.00 0.00 0.00 55.73 55.87 2dog s ARG 73 Cb -0.21 -3.16 -0.07 0.00 0.00 0.00 0.00 34.95 31.51 2dog s ARG 73 CO 0.58 0.47 0.64 0.08 0.00 0.00 0.00 175.30 177.07 2dog s VAL 74 N -0.17 4.63 0.20 3.52 1.01 -0.65 -2.53 120.40 126.41 2dog s VAL 74 Ca 0.08 1.39 0.09 0.00 0.00 0.00 0.00 61.98 63.54 2dog s VAL 74 Cb -0.12 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2dog s VAL 74 CO 0.01 0.53 -0.06 -0.31 0.00 0.00 0.00 175.10 175.27 2dog s TYR 75 N -1.04 2.67 0.28 5.22 1.51 -0.76 -3.12 117.35 122.11 2dog s TYR 75 Ca 0.31 -0.21 0.11 0.00 -1.01 0.00 0.00 57.07 56.27 2dog s TYR 75 Cb -0.21 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.33 2dog s TYR 75 CO 0.21 0.55 -0.17 0.00 -1.11 0.00 0.00 175.55 175.03 2dog s ALA 76 N -1.89 2.71 -0.16 3.71 0.00 0.22 -2.87 121.76 123.47 2dog s ALA 76 Ca 0.27 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.34 2dog s ALA 76 Cb -0.08 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.87 2dog s ALA 76 CO 0.17 0.21 -0.14 -2.00 0.00 0.00 0.00 175.76 174.00 2dog s GLU 77 N -3.55 2.30 0.41 0.00 2.12 -1.26 -1.87 118.70 116.85 2dog s GLU 77 Ca 0.30 -0.65 0.16 0.00 0.36 0.00 0.00 54.97 55.13 2dog s GLU 77 Cb -0.03 -2.23 1.04 0.00 0.26 0.00 0.00 34.13 33.17 2dog s GLU 77 CO 0.14 -0.28 1.85 0.28 -0.54 0.00 0.00 175.26 176.71 2dog h VAL 78 N 6.13 0.69 -1.76 3.70 2.07 -1.96 -0.63 116.25 124.48 2dog h VAL 78 Ca -0.36 -0.16 0.51 0.00 0.82 0.00 0.00 66.70 67.51 2dog h VAL 78 Cb 1.13 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 2dog h VAL 78 CO 0.53 0.08 1.28 0.00 0.02 0.00 0.00 177.57 179.48 2dog h ALA 79 N 1.61 3.68 0.07 1.67 0.00 -1.95 0.35 119.26 124.69 2dog h ALA 79 Ca 0.48 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.98 2dog h ALA 79 Cb 1.12 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2dog h ALA 79 CO -0.19 -2.19 -1.89 -0.25 0.00 0.00 0.00 179.25 174.72 2dog n ASP 80 N -3.97 2.02 -3.69 0.00 9.92 -0.25 -4.97 116.55 115.61 2dog n ASP 80 Ca 0.39 0.24 -0.34 0.00 -0.53 0.00 0.00 54.79 54.55 2dog n ASP 80 Cb 1.82 -0.84 0.01 0.00 -0.64 0.00 0.00 41.12 41.47 2dog n ASP 80 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dog n LEU 81 N -3.79 -3.31 -4.77 0.64 4.77 0.12 -4.86 117.00 105.80 2dog n LEU 81 Ca -0.35 0.55 -0.36 0.00 -0.03 0.00 0.00 56.01 55.81 2dog n LEU 81 Cb 0.93 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 2dog n LEU 81 CO 0.31 -4.24 0.81 -2.16 -1.33 0.00 0.00 177.39 170.78 2dog s PRO 82 N -0.93 3.62 0.25 3.23 0.04 -1.26 -4.99 135.00 134.96 2dog s PRO 82 Ca 0.49 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 2dog s PRO 82 Cb -0.42 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 2dog s PRO 82 CO 0.58 -0.65 1.27 -1.25 0.04 0.00 0.00 177.00 176.99 2dog s PRO 83 N -2.90 4.42 0.54 0.56 0.04 -1.26 -4.92 135.00 131.48 2dog s PRO 83 Ca 0.67 2.05 0.32 0.00 0.04 0.00 0.00 61.00 64.08 2dog s PRO 83 Cb -0.27 -3.16 1.40 0.00 0.04 0.00 0.00 34.50 32.51 2dog s PRO 83 CO 0.32 -0.15 2.00 1.37 0.04 0.00 0.00 177.00 180.58 2dog h LEU 84 N 4.60 0.00 0.00 -3.56 -0.00 -2.03 -3.57 115.31 110.75 2dog h LEU 84 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 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 0.72 0.06 0.00 1.21 -0.00 0.00 0.00 178.44 180.44