#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 3.88 0.34 0.03 3.52 -1.26 -4.95 118.95 120.50 2dog s ARG 2 Ca 0.00 -1.79 0.09 0.00 -0.13 0.00 0.00 55.73 53.89 2dog s ARG 2 Cb 0.00 -5.44 -0.05 0.00 -1.56 0.00 0.00 34.95 27.90 2dog s ARG 2 CO 0.00 -2.20 0.09 -0.51 -0.81 0.00 0.00 175.30 171.87 2dog s LEU 3 N 4.22 3.16 -0.14 -0.88 1.43 -1.26 -3.72 118.68 121.49 2dog s LEU 3 Ca 0.51 -0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 2dog s LEU 3 Cb 0.02 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.68 2dog s LEU 3 CO 0.02 -0.26 0.44 0.68 0.23 0.00 0.00 176.35 177.46 2dog s VAL 4 N -2.45 0.01 0.06 -1.59 -7.23 -0.65 -4.92 120.40 103.62 2dog s VAL 4 Ca 0.36 -0.07 -0.31 0.00 -1.81 0.00 0.00 61.98 60.15 2dog s VAL 4 Cb -0.02 -0.64 -0.08 0.00 0.56 0.00 0.00 36.38 36.20 2dog s VAL 4 CO 0.21 -0.04 1.55 -0.70 -0.31 0.00 0.00 175.10 175.81 2dog s GLU 5 N -0.09 4.23 -0.11 4.82 2.12 -1.26 -0.65 118.70 127.76 2dog s GLU 5 Ca -0.03 2.20 0.02 0.00 0.36 0.00 0.00 54.97 57.52 2dog s GLU 5 Cb -0.03 -3.53 -0.08 0.00 0.26 0.00 0.00 34.13 30.75 2dog s GLU 5 CO 0.02 -0.65 -0.09 0.44 -0.54 0.00 0.00 175.26 174.43 2dog n ILE 6 N 4.58 0.66 -3.82 -3.70 -5.35 -1.04 -4.93 119.36 105.77 2dog n ILE 6 Ca 0.15 -0.27 -0.09 0.00 -0.27 0.00 0.00 62.75 62.27 2dog n ILE 6 Cb 0.41 -0.90 0.02 0.00 -1.74 0.00 0.00 39.64 37.44 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 -5.04 0.36 -0.03 3.28 0.00 -1.22 -0.76 107.32 103.93 2dog s GLY 7 Ca -0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 2dog s GLY 7 CO 0.28 -0.31 0.08 -1.60 0.00 0.00 0.00 173.10 171.54 2dog s ARG 8 N -2.42 0.09 0.54 2.90 3.52 -0.71 -1.09 118.95 121.78 2dog s ARG 8 Ca 0.15 0.11 -0.20 0.00 -0.13 0.00 0.00 55.73 55.66 2dog s ARG 8 Cb -0.05 0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 2dog s ARG 8 CO 0.11 -0.01 1.20 -0.06 -0.81 0.00 0.00 175.30 175.74 2dog s PHE 9 N 0.05 2.55 0.00 5.12 0.08 -1.03 -2.07 117.98 122.69 2dog s PHE 9 Ca -0.00 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.55 2dog s PHE 9 Cb -0.01 -3.47 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 2dog s PHE 9 CO 0.00 -2.02 0.00 0.41 -0.10 0.00 0.00 175.22 173.51 2dog n GLY 10 N 0.46 0.34 3.41 4.36 0.00 0.13 -4.17 105.19 109.73 2dog n GLY 10 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.39 2.44 -0.17 4.61 0.00 -1.26 -4.56 121.76 120.43 2dog s ALA 11 Ca 0.00 -1.46 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 2dog s ALA 11 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2dog s ALA 11 CO 0.00 0.55 1.57 -1.25 0.00 0.00 0.00 175.76 176.63 2dog s PRO 12 N -2.10 3.97 1.39 0.00 0.04 -1.26 -1.68 135.00 135.36 2dog s PRO 12 Ca 0.15 1.81 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 2dog s PRO 12 Cb -0.10 -3.98 0.36 0.00 0.04 0.00 0.00 34.50 30.82 2dog s PRO 12 CO 0.07 -1.08 0.90 0.98 0.04 0.00 0.00 177.00 177.91 2dog n TYR 13 N 7.80 -3.03 -0.98 0.56 9.36 0.45 -4.91 117.16 126.41 2dog n TYR 13 Ca 0.18 -0.61 -0.37 0.00 3.32 0.00 0.00 57.90 60.43 2dog n TYR 13 Cb 0.44 -1.45 0.04 0.00 -0.63 0.00 0.00 39.34 37.75 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 -5.59 -5.42 -0.43 2.98 0.00 -1.26 -4.41 120.51 106.38 2dog n ALA 14 Ca 0.10 -0.88 0.40 0.00 0.00 0.00 0.00 53.44 53.07 2dog n ALA 14 Cb 0.58 -1.09 0.75 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.05 0.00 -1.36 0.00 3.38 -1.94 -0.36 115.31 113.97 2dog h LEU 15 Ca -0.43 0.00 0.40 0.00 0.09 0.00 0.00 57.88 57.94 2dog h LEU 15 Cb 1.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.02 2dog h LEU 15 CO 0.23 0.00 1.19 0.29 0.09 0.00 0.00 178.44 180.24 2dog n LYS 16 N -3.95 0.01 0.00 1.13 5.02 -1.26 -3.84 118.16 115.26 2dog n LYS 16 Ca 0.31 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.54 2dog n LYS 16 Cb 1.53 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 2dog n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dog n GLY 17 N -1.73 1.14 3.84 0.72 0.00 -0.15 -4.32 105.19 104.69 2dog n GLY 17 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 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 2.16 -0.10 -0.02 0.00 -1.23 -4.49 107.32 101.64 2dog s GLY 18 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.97 2dog s GLY 18 CO 0.00 0.51 -0.14 1.08 0.00 0.00 0.00 173.10 174.55 2dog s LEU 19 N -3.79 1.64 -0.54 0.66 1.43 -0.56 0.17 118.68 117.69 2dog s LEU 19 Ca 0.60 -0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.03 2dog s LEU 19 Cb -0.10 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 2dog s LEU 19 CO 0.26 -0.00 1.89 -0.13 0.23 0.00 0.00 176.35 178.59 2dog s ARG 20 N 1.04 2.75 -0.23 1.70 0.52 -0.68 0.21 118.95 124.26 2dog s ARG 20 Ca -0.06 0.86 -0.08 0.00 -0.52 0.00 0.00 55.73 55.94 2dog s ARG 20 Cb -0.15 -4.36 -0.03 0.00 0.52 0.00 0.00 34.95 30.93 2dog s ARG 20 CO -0.02 -2.57 0.08 0.12 0.02 0.00 0.00 175.30 172.93 2dog s PHE 21 N 8.81 3.13 -0.51 -0.53 5.36 0.17 0.23 117.98 134.64 2dog s PHE 21 Ca 0.72 -0.25 -0.05 0.00 -0.96 0.00 0.00 56.93 56.39 2dog s PHE 21 Cb -0.15 -2.21 0.13 0.00 -0.34 0.00 0.00 43.02 40.45 2dog s PHE 21 CO 0.24 -0.22 0.34 1.03 -1.46 0.00 0.00 175.22 175.15 2dog s ARG 22 N 1.32 2.37 0.16 10.12 0.52 -0.88 -3.70 118.95 128.86 2dog s ARG 22 Ca 0.05 -2.06 -0.03 0.00 -0.52 0.00 0.00 55.73 53.16 2dog s ARG 22 Cb -0.15 -3.75 -0.03 0.00 0.52 0.00 0.00 34.95 31.54 2dog s ARG 22 CO 0.04 -1.14 0.15 0.20 0.02 0.00 0.00 175.30 174.56 2dog s GLY 23 N 1.69 0.94 0.69 -3.53 0.00 -1.26 -1.73 107.32 104.12 2dog s GLY 23 Ca 0.11 -1.35 -0.16 0.00 0.00 0.00 0.00 44.72 43.31 2dog s GLY 23 CO -0.03 -1.21 -0.44 -1.84 0.00 0.00 0.00 173.10 169.58 2dog n GLU 24 N -0.18 0.00 0.25 2.90 0.28 0.06 -4.82 120.64 119.14 2dog n GLU 24 Ca -0.04 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.09 2dog n GLU 24 Cb 0.64 -0.92 0.59 0.00 1.43 0.00 0.00 31.44 33.18 2dog n GLU 24 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2dog h PRO 25 N -0.47 0.00 0.00 3.44 0.13 -2.01 -2.87 132.00 130.23 2dog h PRO 25 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2dog h PRO 25 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2dog h PRO 25 CO 0.30 0.14 0.00 1.55 -0.23 0.00 0.00 178.00 179.75 2dog n VAL 26 N -3.34 1.04 0.30 1.56 3.14 -1.26 -1.25 118.33 118.52 2dog n VAL 26 Ca -0.00 0.74 0.13 0.00 -2.96 0.00 0.00 64.34 62.24 2dog n VAL 26 Cb 0.35 -1.74 0.58 0.00 -1.06 0.00 0.00 33.84 31.97 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 -1.83 -1.85 116.25 117.17 2dog h VAL 27 Ca 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 2dog h VAL 27 Cb 0.00 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 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 -2.35 0.00 -0.26 3.16 4.77 -0.38 -2.23 117.00 119.71 2dog n LEU 28 Ca 0.00 0.02 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2dog n LEU 28 Cb 0.16 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 2dog n LEU 28 CO 0.17 -0.01 0.50 1.41 -1.33 0.00 0.00 177.39 178.13 2dog n HIS 29 N -1.02 0.15 -2.98 -1.77 8.25 -0.69 -5.03 115.22 112.13 2dog n HIS 29 Ca 0.17 -0.37 -0.18 0.00 -0.26 0.00 0.00 57.72 57.09 2dog n HIS 29 Cb 0.09 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.84 3.56 0.00 2.41 1.43 -0.95 -4.89 118.68 119.41 2dog s LEU 30 Ca 0.09 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2dog s LEU 30 Cb 0.05 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2dog s LEU 30 CO 0.07 -0.86 0.00 -0.62 0.23 0.00 0.00 176.35 175.16 2dog n GLU 31 N -1.94 2.11 -4.56 1.70 1.02 -1.26 -5.05 120.64 112.66 2dog n GLU 31 Ca 0.09 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.97 2dog n GLU 31 Cb 0.59 -0.77 -0.11 0.00 -0.02 0.00 0.00 31.44 31.13 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 -1.55 1.85 0.20 3.49 1.70 -1.26 -1.69 118.95 121.70 2dog s ARG 32 Ca 0.00 -2.05 -0.08 0.00 -0.47 0.00 0.00 55.73 53.13 2dog s ARG 32 Cb 0.00 -1.31 -0.02 0.00 -0.57 0.00 0.00 34.95 33.06 2dog s ARG 32 CO 0.00 -0.13 0.30 0.14 -1.08 0.00 0.00 175.30 174.53 2dog s VAL 33 N -2.96 0.03 -0.16 4.99 -7.23 0.58 -4.79 120.40 110.86 2dog s VAL 33 Ca 0.34 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 2dog s VAL 33 Cb 0.09 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.95 2dog s VAL 33 CO 0.16 -0.15 -0.11 -0.47 -0.31 0.00 0.00 175.10 174.22 2dog s TYR 34 N -4.03 2.13 -0.82 2.82 5.04 -1.22 -0.49 117.35 120.77 2dog s TYR 34 Ca 0.24 -1.28 -0.23 0.00 -2.44 0.00 0.00 57.07 53.36 2dog s TYR 34 Cb 0.03 -1.54 0.06 0.00 0.35 0.00 0.00 41.96 40.86 2dog s TYR 34 CO 0.06 -0.67 1.22 0.08 -1.34 0.00 0.00 175.55 174.89 2dog s VAL 35 N 1.50 4.10 -0.50 3.14 1.01 -0.58 -1.98 120.40 127.08 2dog s VAL 35 Ca 0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 2dog s VAL 35 Cb -0.14 -4.87 -0.07 0.00 0.00 0.00 0.00 36.38 31.29 2dog s VAL 35 CO -0.09 -1.72 2.42 -0.70 0.00 0.00 0.00 175.10 175.01 2dog s GLU 36 N 4.60 2.06 0.00 2.72 2.56 -0.63 -2.09 118.70 127.92 2dog s GLU 36 Ca 0.34 1.39 0.00 0.00 0.00 0.00 0.00 54.97 56.70 2dog s GLU 36 Cb -0.08 -4.60 0.00 0.00 2.00 0.00 0.00 34.13 31.46 2dog s GLU 36 CO 0.03 -3.34 0.00 0.41 -0.56 0.00 0.00 175.26 171.80 2dog n GLY 37 N 6.04 4.28 0.11 -1.50 0.00 -1.26 -4.29 105.19 108.57 2dog n GLY 37 Ca 0.37 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.89 -5.16 115.22 115.25 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 0.96 3.73 -1.41 0.00 -1.18 -5.04 105.19 105.86 2dog n GLY 39 Ca 0.00 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 3.63 0.36 1.61 0.52 -1.26 -1.53 118.94 119.81 2dog s TRP 40 Ca 0.16 1.61 0.09 0.00 0.02 0.00 0.00 56.10 57.98 2dog s TRP 40 Cb -0.04 -3.23 -0.07 0.00 -1.15 0.00 0.00 33.47 28.97 2dog s TRP 40 CO 0.10 -0.47 -0.07 1.03 0.02 0.00 0.00 176.95 177.56 2dog s ARG 41 N -0.03 1.85 0.11 4.98 1.81 0.36 -4.86 118.95 123.18 2dog s ARG 41 Ca 0.50 -1.98 0.09 0.00 -1.72 0.00 0.00 55.73 52.63 2dog s ARG 41 Cb -0.28 -1.68 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 2dog s ARG 41 CO 0.33 0.09 -0.20 0.00 -0.68 0.00 0.00 175.30 174.84 2dog s ALA 42 N -2.64 2.60 -0.01 2.13 0.00 -1.26 -0.30 121.76 122.27 2dog s ALA 42 Ca 0.33 -1.36 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 2dog s ALA 42 Cb 0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2dog s ALA 42 CO 0.17 0.58 0.54 0.42 0.00 0.00 0.00 175.76 177.47 2dog s ILE 43 N -1.10 4.95 -0.10 0.00 1.01 -0.68 -0.29 121.20 124.99 2dog s ILE 43 Ca 0.17 1.13 -0.00 0.00 0.00 0.00 0.00 60.65 61.94 2dog s ILE 43 Cb -0.10 -3.87 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 2dog s ILE 43 CO 0.09 0.44 -0.10 -0.62 0.00 0.00 0.00 174.94 174.75 2dog n GLU 44 N 2.62 0.25 -3.65 2.79 1.02 -0.72 -4.86 120.64 118.09 2dog n GLU 44 Ca -0.08 0.07 -0.06 0.00 -0.02 0.00 0.00 57.16 57.06 2dog n GLU 44 Cb 0.51 -1.14 -0.07 0.00 -0.02 0.00 0.00 31.44 30.73 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 -5.16 -0.92 0.07 1.62 1.01 -1.22 -5.03 116.67 107.03 2dog s ASP 45 Ca -0.14 1.44 -0.07 0.00 0.71 0.00 0.00 52.55 54.49 2dog s ASP 45 Cb 0.04 1.54 -0.01 0.00 1.01 0.00 0.00 42.92 45.50 2dog s ASP 45 CO 0.22 -0.23 0.15 -1.48 0.21 0.00 0.00 175.17 174.04 2dog s LEU 46 N 1.95 1.62 -0.27 1.23 0.05 -1.26 -0.63 118.68 121.38 2dog s LEU 46 Ca -0.09 -0.66 -0.26 0.00 0.05 0.00 0.00 54.13 53.18 2dog s LEU 46 Cb -0.07 0.85 0.13 0.00 -2.05 0.00 0.00 46.19 45.05 2dog s LEU 46 CO -0.19 -0.66 1.10 -0.72 -0.55 0.00 0.00 176.35 175.33 2dog s TYR 47 N -3.58 -0.39 -0.65 3.48 -0.85 -1.16 -5.02 117.35 109.18 2dog s TYR 47 Ca 0.03 0.91 -0.27 0.00 -0.52 0.00 0.00 57.07 57.21 2dog s TYR 47 Cb 0.04 0.40 0.02 0.00 0.38 0.00 0.00 41.96 42.79 2dog s TYR 47 CO -0.09 -0.21 1.39 -0.98 -1.52 0.00 0.00 175.55 174.14 2dog s ARG 48 N 0.00 3.18 -0.50 -3.49 1.70 -1.26 -2.18 118.95 116.41 2dog s ARG 48 Ca 0.03 0.14 -0.26 0.00 -0.47 0.00 0.00 55.73 55.17 2dog s ARG 48 Cb -0.04 -4.18 0.03 0.00 -0.57 0.00 0.00 34.95 30.19 2dog s ARG 48 CO -0.07 -2.12 0.98 0.08 -1.08 0.00 0.00 175.30 173.09 2dog s VAL 49 N 6.22 4.38 0.00 4.99 1.01 0.27 -4.83 120.40 132.44 2dog s VAL 49 Ca 0.45 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2dog s VAL 49 Cb -0.09 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2dog s VAL 49 CO 0.20 -0.97 0.00 0.61 0.00 0.00 0.00 175.10 174.94 2dog n GLY 50 N 4.98 1.06 1.40 4.51 0.00 -1.26 -0.52 105.19 115.36 2dog n GLY 50 Ca 0.06 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.51 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 1.92 -4.00 1.61 1.02 -1.26 -5.00 120.64 114.94 2dog n GLU 51 Ca 0.00 -3.17 -0.12 0.00 -0.02 0.00 0.00 57.16 53.85 2dog n GLU 51 Cb 0.00 -1.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.50 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 -3.27 1.93 -0.01 3.49 2.02 0.32 -5.16 118.70 118.01 2dog s GLU 52 Ca 0.47 -1.58 0.03 0.00 0.02 0.00 0.00 54.97 53.91 2dog s GLU 52 Cb 0.42 0.50 -0.01 0.00 0.10 0.00 0.00 34.13 35.14 2dog s GLU 52 CO 0.02 -0.83 -0.09 -0.51 0.02 0.00 0.00 175.26 173.87 2dog s LEU 53 N -3.15 2.01 -0.30 1.80 1.43 -1.24 0.96 118.68 120.18 2dog s LEU 53 Ca 0.25 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2dog s LEU 53 Cb -0.02 -0.47 0.09 0.00 0.03 0.00 0.00 46.19 45.82 2dog s LEU 53 CO 0.16 0.11 0.02 -0.69 0.23 0.00 0.00 176.35 176.18 2dog s VAL 54 N -0.20 1.74 -0.12 -1.59 1.01 -0.92 0.43 120.40 120.75 2dog s VAL 54 Ca 0.03 -1.76 -0.14 0.00 0.00 0.00 0.00 61.98 60.11 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 -0.44 0.32 -0.69 0.00 0.00 0.00 175.10 174.29 2dog s VAL 55 N 1.22 5.25 -0.49 2.92 1.01 0.13 -3.01 120.40 127.43 2dog s VAL 55 Ca 0.05 0.62 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 2dog s VAL 55 Cb -0.19 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.67 2dog s VAL 55 CO -0.11 0.45 0.38 -1.00 0.00 0.00 0.00 175.10 174.81 2dog s HIS 56 N -0.02 3.40 0.44 5.22 3.76 0.20 -1.50 115.29 126.79 2dog s HIS 56 Ca 0.19 -1.78 -0.24 0.00 -0.15 0.00 0.00 55.06 53.08 2dog s HIS 56 Cb -0.14 -3.56 -0.08 0.00 1.11 0.00 0.00 32.58 29.92 2dog s HIS 56 CO 0.07 -1.00 1.17 -0.51 -0.85 0.00 0.00 174.74 173.61 2dog s LEU 57 N 1.39 4.08 0.29 0.89 1.43 -1.26 -1.76 118.68 123.72 2dog s LEU 57 Ca 0.05 2.32 -0.30 0.00 -1.03 0.00 0.00 54.13 55.17 2dog s LEU 57 Cb -0.27 -4.16 -0.12 0.00 0.03 0.00 0.00 46.19 41.67 2dog s LEU 57 CO -0.00 -0.83 1.53 0.00 0.23 0.00 0.00 176.35 177.28 2dog n ALA 58 N -0.29 2.12 0.00 4.21 0.00 0.60 -2.60 120.51 124.54 2dog n ALA 58 Ca 0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2dog n ALA 58 Cb 0.47 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2dog n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dog n GLY 59 N 2.02 2.57 3.55 0.00 0.00 -1.26 -4.83 105.19 107.24 2dog n GLY 59 Ca 0.09 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.08 -1.57 1.61 0.31 -1.07 -4.70 118.33 112.83 2dog n VAL 60 Ca 0.00 -0.76 0.06 0.00 -0.01 0.00 0.00 64.34 63.62 2dog n VAL 60 Cb 0.00 -2.68 0.09 0.00 -0.91 0.00 0.00 33.84 30.34 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 8.01 1.09 -3.71 2.52 -2.24 -1.26 -4.57 114.28 114.12 2dog n THR 61 Ca 0.39 -1.45 -0.14 0.00 -2.27 0.00 0.00 64.05 60.57 2dog n THR 61 Cb 0.52 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.17 -0.30 0.35 3.42 -4.77 -1.25 -4.36 116.67 107.59 2dog s ASP 62 Ca 0.21 0.24 0.08 0.00 -3.30 0.00 0.00 52.55 49.79 2dog s ASP 62 Cb 0.20 0.37 0.80 0.00 -1.09 0.00 0.00 42.92 43.20 2dog s ASP 62 CO -0.01 -0.48 1.87 -0.09 0.70 0.00 0.00 175.17 177.17 2dog h ARG 63 N 3.70 0.69 0.82 2.11 2.43 -1.86 -1.45 114.38 120.81 2dog h ARG 63 Ca -0.29 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 2dog h ARG 63 Cb 1.17 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2dog h ARG 63 CO 0.40 0.45 -0.41 1.15 -1.51 0.00 0.00 179.97 180.05 2dog h THR 64 N 0.71 0.00 -0.58 0.20 2.02 -1.96 0.25 112.91 113.55 2dog h THR 64 Ca 0.44 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.72 2dog h THR 64 Cb 0.68 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 2dog h THR 64 CO -0.20 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 175.76 2dog h LEU 65 N -1.12 0.05 0.05 2.58 3.38 -1.90 -1.71 115.31 116.64 2dog h LEU 65 Ca -0.11 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dog h LEU 65 Cb 0.87 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2dog h LEU 65 CO 0.17 0.04 -0.03 0.00 0.09 0.00 0.00 178.44 178.71 2dog h ALA 66 N 1.45 -0.07 -0.83 1.53 0.00 -1.18 -2.24 119.26 117.91 2dog h ALA 66 Ca 0.30 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.38 2dog h ALA 66 Cb 0.42 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2dog h ALA 66 CO -0.37 -0.54 0.56 0.93 0.00 0.00 0.00 179.25 179.83 2dog h GLU 67 N -0.08 0.31 -0.04 0.00 5.08 0.19 0.29 114.58 120.35 2dog h GLU 67 Ca -0.01 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2dog h GLU 67 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2dog h GLU 67 CO 0.01 0.21 -0.23 0.00 -1.00 0.00 0.00 179.01 177.99 2dog h ALA 68 N 1.62 1.55 -0.69 3.43 0.00 -0.71 -2.16 119.26 122.31 2dog h ALA 68 Ca 0.42 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2dog h ALA 68 Cb 1.14 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 2dog h ALA 68 CO -0.12 0.33 0.23 1.28 0.00 0.00 0.00 179.25 180.97 2dog n LEU 69 N -4.24 5.87 -4.63 0.00 4.77 1.00 -4.92 117.00 114.84 2dog n LEU 69 Ca -0.02 -3.23 -0.37 0.00 -0.03 0.00 0.00 56.01 52.36 2dog n LEU 69 Cb 0.30 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 2dog n LEU 69 CO 0.38 0.82 -0.17 -0.69 -1.33 0.00 0.00 177.39 176.39 2dog s VAL 70 N -2.99 5.34 0.00 4.08 1.01 -0.81 -4.29 120.40 122.73 2dog s VAL 70 Ca 0.54 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2dog s VAL 70 Cb 0.43 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2dog s VAL 70 CO 0.13 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2dog n GLY 71 N 4.60 0.95 3.88 4.51 0.00 -1.26 -5.04 105.19 112.83 2dog n GLY 71 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 2.90 0.11 0.99 1.43 -1.26 -4.82 118.68 118.03 2dog s LEU 72 Ca 0.00 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 2dog s LEU 72 Cb 0.00 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 2dog s LEU 72 CO 0.00 -1.37 0.09 -0.13 0.23 0.00 0.00 176.35 175.17 2dog s ARG 73 N -5.33 2.83 -0.12 1.70 0.52 -1.26 -2.45 118.95 114.83 2dog s ARG 73 Ca 0.58 -0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 54.96 2dog s ARG 73 Cb -0.11 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 2dog s ARG 73 CO 0.52 0.53 0.05 0.08 0.02 0.00 0.00 175.30 176.50 2dog s VAL 74 N -1.52 4.68 0.39 3.52 1.01 -0.25 -1.61 120.40 126.62 2dog s VAL 74 Ca 0.29 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2dog s VAL 74 Cb -0.11 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2dog s VAL 74 CO 0.22 0.57 0.37 -0.31 0.00 0.00 0.00 175.10 175.95 2dog s TYR 75 N -0.56 2.79 0.09 5.22 1.51 -0.84 -2.50 117.35 123.06 2dog s TYR 75 Ca 0.10 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2dog s TYR 75 Cb -0.12 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2dog s TYR 75 CO 0.02 -0.06 -0.09 0.00 -1.11 0.00 0.00 175.55 174.32 2dog s ALA 76 N -2.40 1.00 -0.14 3.71 0.00 0.18 -3.41 121.76 120.69 2dog s ALA 76 Ca 0.47 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 2dog s ALA 76 Cb -0.05 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2dog s ALA 76 CO 0.28 -0.08 -0.11 -2.00 0.00 0.00 0.00 175.76 173.85 2dog s GLU 77 N -2.86 3.46 0.00 0.00 2.12 -1.26 -1.64 118.70 118.51 2dog s GLU 77 Ca 0.05 -0.64 0.11 0.00 0.36 0.00 0.00 54.97 54.85 2dog s GLU 77 Cb -0.02 -2.70 0.54 0.00 0.26 0.00 0.00 34.13 32.21 2dog s GLU 77 CO -0.01 0.22 1.29 0.28 -0.54 0.00 0.00 175.26 176.51 2dog n VAL 78 N 3.52 0.88 1.16 3.70 0.31 -1.24 -1.66 118.33 124.99 2dog n VAL 78 Ca -0.18 0.22 0.14 0.00 -0.01 0.00 0.00 64.34 64.51 2dog n VAL 78 Cb 0.53 -1.03 0.55 0.00 -0.91 0.00 0.00 33.84 32.98 2dog n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dog n ALA 79 N -1.35 2.74 0.19 3.52 0.00 -1.26 -3.47 120.51 120.88 2dog n ALA 79 Ca 0.05 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.30 2dog n ALA 79 Cb 0.10 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 2dog n ALA 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dog n ASP 80 N -1.32 0.39 -4.80 0.00 9.92 -0.67 -5.03 116.55 115.05 2dog n ASP 80 Ca 0.10 -0.69 -0.36 0.00 -0.53 0.00 0.00 54.79 53.31 2dog n ASP 80 Cb 0.31 0.83 -0.07 0.00 -0.64 0.00 0.00 41.12 41.56 2dog n ASP 80 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dog s LEU 81 N -1.89 4.21 0.57 0.64 1.43 -1.19 -4.87 118.68 117.58 2dog s LEU 81 Ca 0.02 1.75 -0.18 0.00 -1.03 0.00 0.00 54.13 54.69 2dog s LEU 81 Cb 0.03 -4.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.05 2dog s LEU 81 CO 0.15 -0.16 1.12 -2.16 0.23 0.00 0.00 176.35 175.53 2dog s PRO 82 N -2.43 3.22 0.68 1.29 0.04 -1.26 -5.02 135.00 131.52 2dog s PRO 82 Ca 0.54 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 2dog s PRO 82 Cb -0.15 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2dog s PRO 82 CO 0.20 -0.95 1.11 -1.25 0.04 0.00 0.00 177.00 176.15 2dog s PRO 83 N -3.49 2.70 0.66 0.56 0.04 -1.26 -4.91 135.00 129.31 2dog s PRO 83 Ca 0.71 1.35 0.44 0.00 0.04 0.00 0.00 61.00 63.54 2dog s PRO 83 Cb -0.23 -1.94 2.41 0.00 0.04 0.00 0.00 34.50 34.78 2dog s PRO 83 CO 0.30 -1.32 2.37 -0.07 0.04 0.00 0.00 177.00 178.32 2dog h LEU 84 N -0.18 0.00 -0.83 -3.56 4.07 -2.04 -3.57 115.31 109.20 2dog h LEU 84 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2dog h LEU 84 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2dog h LEU 84 CO 0.54 0.00 0.00 1.21 -1.08 0.00 0.00 178.44 179.11