#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 3.47 0.21 3.17 1.81 -1.26 -5.00 118.95 121.35 2dog s ARG 2 Ca 0.00 0.37 0.11 0.00 -1.72 0.00 0.00 55.73 54.49 2dog s ARG 2 Cb 0.00 -4.04 -0.04 0.00 -0.45 0.00 0.00 34.95 30.41 2dog s ARG 2 CO 0.00 -1.73 -0.18 -0.51 -0.68 0.00 0.00 175.30 172.20 2dog s LEU 3 N 5.28 2.66 0.01 2.53 1.43 -1.26 -3.99 118.68 125.35 2dog s LEU 3 Ca 0.47 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2dog s LEU 3 Cb -0.09 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 2dog s LEU 3 CO 0.26 0.09 -0.01 0.68 0.23 0.00 0.00 176.35 177.60 2dog s VAL 4 N -1.91 0.06 -0.31 -1.59 -7.23 -0.80 -4.92 120.40 103.71 2dog s VAL 4 Ca 0.25 -0.49 -0.26 0.00 -1.81 0.00 0.00 61.98 59.66 2dog s VAL 4 Cb -0.07 -0.15 0.01 0.00 0.56 0.00 0.00 36.38 36.72 2dog s VAL 4 CO 0.13 -0.27 0.94 -0.70 -0.31 0.00 0.00 175.10 174.89 2dog s GLU 5 N -0.79 4.02 -0.21 4.82 2.12 -1.26 -0.02 118.70 127.38 2dog s GLU 5 Ca -0.09 0.85 0.04 0.00 0.36 0.00 0.00 54.97 56.13 2dog s GLU 5 Cb -0.05 -3.73 -0.15 0.00 0.26 0.00 0.00 34.13 30.45 2dog s GLU 5 CO -0.01 -0.78 -0.15 0.44 -0.54 0.00 0.00 175.26 174.22 2dog n ILE 6 N 5.68 1.24 -3.87 -3.70 -5.35 -1.21 -4.97 119.36 107.17 2dog n ILE 6 Ca 0.08 -0.52 -0.08 0.00 -0.27 0.00 0.00 62.75 61.96 2dog n ILE 6 Cb 0.47 -1.15 -0.02 0.00 -1.74 0.00 0.00 39.64 37.21 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 -5.93 0.08 0.00 3.28 0.00 -1.25 -0.63 107.32 102.87 2dog s GLY 7 Ca -0.26 -0.47 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2dog s GLY 7 CO 0.54 -0.20 -0.03 -1.60 0.00 0.00 0.00 173.10 171.81 2dog s ARG 8 N -3.62 0.24 0.32 2.90 3.52 -0.54 -1.54 118.95 120.23 2dog s ARG 8 Ca 0.13 -0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.30 2dog s ARG 8 Cb -0.05 -0.21 -0.10 0.00 -1.56 0.00 0.00 34.95 33.03 2dog s ARG 8 CO 0.08 0.05 1.20 -0.06 -0.81 0.00 0.00 175.30 175.77 2dog s PHE 9 N -0.18 3.28 0.00 5.12 0.08 -1.16 -2.13 117.98 122.98 2dog s PHE 9 Ca -0.00 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2dog s PHE 9 Cb -0.02 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.95 2dog s PHE 9 CO -0.00 -1.24 0.00 0.41 -0.10 0.00 0.00 175.22 174.29 2dog n GLY 10 N 0.95 -0.01 3.39 4.36 0.00 0.24 -3.66 105.19 110.45 2dog n GLY 10 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.35 2.38 -0.27 4.61 0.00 -1.26 -4.46 121.76 119.42 2dog s ALA 11 Ca 0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 2dog s ALA 11 Cb 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2dog s ALA 11 CO 0.00 0.54 1.64 -1.25 0.00 0.00 0.00 175.76 176.69 2dog s PRO 12 N -1.84 3.66 1.10 0.00 0.04 -1.26 -1.56 135.00 135.13 2dog s PRO 12 Ca 0.14 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 2dog s PRO 12 Cb -0.10 -4.07 0.21 0.00 0.04 0.00 0.00 34.50 30.58 2dog s PRO 12 CO 0.05 -1.46 0.45 0.98 0.04 0.00 0.00 177.00 177.06 2dog n TYR 13 N 8.93 -2.62 -0.97 0.56 9.36 0.49 -4.87 117.16 128.05 2dog n TYR 13 Ca 0.20 -0.17 -0.37 0.00 3.32 0.00 0.00 57.90 60.88 2dog n TYR 13 Cb 0.46 -1.38 0.05 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 -4.69 -5.35 -0.37 2.98 0.00 -1.26 -4.46 120.51 107.36 2dog n ALA 14 Ca 0.07 -0.98 0.37 0.00 0.00 0.00 0.00 53.44 52.91 2dog n ALA 14 Cb 0.40 -1.08 0.75 0.00 0.00 0.00 0.00 19.45 19.52 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 0.02 -1.28 0.00 3.38 -1.94 -1.31 115.31 113.08 2dog h LEU 15 Ca -0.43 0.00 0.40 0.00 0.09 0.00 0.00 57.88 57.95 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 0.89 0.29 0.09 0.00 0.00 178.44 179.95 2dog n LYS 16 N -4.17 -0.01 0.00 1.13 4.76 -1.26 -4.00 118.16 114.61 2dog n LYS 16 Ca 0.28 0.87 0.00 0.00 -2.87 0.00 0.00 58.31 56.59 2dog n LYS 16 Cb 1.32 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 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 -1.55 1.41 3.86 0.72 0.00 -0.50 -4.47 105.19 104.66 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 2.06 -0.12 -0.02 0.00 -1.23 -4.65 107.32 101.36 2dog s GLY 18 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.73 2dog s GLY 18 CO 0.00 0.22 -0.14 1.08 0.00 0.00 0.00 173.10 174.26 2dog s LEU 19 N -3.77 1.64 -0.51 0.66 1.43 -0.57 0.19 118.68 117.74 2dog s LEU 19 Ca 0.55 -0.42 -0.27 0.00 -1.03 0.00 0.00 54.13 52.97 2dog s LEU 19 Cb -0.10 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2dog s LEU 19 CO 0.28 -0.02 2.07 -0.13 0.23 0.00 0.00 176.35 178.78 2dog s ARG 20 N 1.18 2.57 -0.25 1.70 0.52 -0.60 -0.10 118.95 123.96 2dog s ARG 20 Ca -0.03 1.09 -0.08 0.00 -0.52 0.00 0.00 55.73 56.19 2dog s ARG 20 Cb -0.14 -4.43 -0.03 0.00 0.52 0.00 0.00 34.95 30.86 2dog s ARG 20 CO -0.04 -2.77 0.10 0.12 0.02 0.00 0.00 175.30 172.73 2dog s PHE 21 N 9.83 3.13 -0.54 -0.53 5.36 0.27 -0.60 117.98 134.91 2dog s PHE 21 Ca 0.82 -0.25 -0.08 0.00 -0.96 0.00 0.00 56.93 56.46 2dog s PHE 21 Cb -0.17 -2.26 0.14 0.00 -0.34 0.00 0.00 43.02 40.39 2dog s PHE 21 CO 0.25 -0.27 0.40 0.50 -1.46 0.00 0.00 175.22 174.64 2dog s ARG 22 N 1.55 2.58 0.26 10.12 3.52 -0.91 -3.54 118.95 132.54 2dog s ARG 22 Ca 0.06 -2.02 0.00 0.00 -0.13 0.00 0.00 55.73 53.64 2dog s ARG 22 Cb -0.15 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.30 2dog s ARG 22 CO 0.05 -1.19 0.25 0.20 -0.81 0.00 0.00 175.30 173.80 2dog s GLY 23 N 2.11 1.63 0.92 8.12 0.00 -1.26 -1.46 107.32 117.38 2dog s GLY 23 Ca 0.10 -1.71 -0.13 0.00 0.00 0.00 0.00 44.72 42.97 2dog s GLY 23 CO -0.03 -1.30 0.34 1.18 0.00 0.00 0.00 173.10 173.29 2dog n GLU 24 N -0.42 -0.19 0.15 2.90 -0.58 0.20 -4.85 120.64 117.84 2dog n GLU 24 Ca 0.03 -0.02 0.13 0.00 -0.42 0.00 0.00 57.16 56.88 2dog n GLU 24 Cb 0.64 -1.79 0.52 0.00 -0.57 0.00 0.00 31.44 30.23 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 -1.37 0.00 0.00 3.49 0.13 -2.01 -2.79 132.00 129.45 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dog h PRO 25 CO 0.34 0.00 0.00 -0.24 -0.23 0.00 0.00 178.00 177.87 2dog h VAL 26 N 0.00 0.00 0.00 1.56 3.04 -1.99 -2.39 116.25 116.47 2dog h VAL 26 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2dog h VAL 26 Cb 0.37 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2dog h VAL 26 CO 0.00 0.00 0.00 1.62 -1.01 0.00 0.00 177.57 178.18 2dog h VAL 27 N 0.00 0.00 0.00 1.51 3.04 -1.84 -1.56 116.25 117.40 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 0.28 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 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 -2.98 0.00 -0.27 3.16 4.77 -0.90 -1.28 117.00 119.50 2dog n LEU 28 Ca -0.02 0.35 0.05 0.00 -0.03 0.00 0.00 56.01 56.36 2dog n LEU 28 Cb 0.14 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 2dog n LEU 28 CO 0.21 -0.23 0.27 1.41 -1.33 0.00 0.00 177.39 177.73 2dog n HIS 29 N -1.35 0.00 -3.16 -1.77 8.25 -0.59 -4.98 115.22 111.62 2dog n HIS 29 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.11 2dog n HIS 29 Cb 0.10 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.36 4.34 -0.07 2.41 1.43 -0.40 -4.98 118.68 120.05 2dog s LEU 30 Ca 0.09 1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 54.14 2dog s LEU 30 Cb 0.08 -2.94 -0.30 0.00 0.03 0.00 0.00 46.19 43.07 2dog s LEU 30 CO 0.21 -0.01 0.65 -0.08 0.23 0.00 0.00 176.35 177.34 2dog h GLU 31 N 6.37 0.33 -5.25 1.70 4.81 -1.94 -3.48 114.58 117.13 2dog h GLU 31 Ca -0.42 -0.57 -0.52 0.00 -0.13 0.00 0.00 59.36 57.72 2dog h GLU 31 Cb 1.19 0.21 -0.14 0.00 0.63 0.00 0.00 28.75 30.65 2dog h GLU 31 CO 0.73 1.27 -0.59 -0.98 -0.73 0.00 0.00 179.01 178.72 2dog s ARG 32 N -2.53 1.78 0.28 1.92 1.70 -1.26 -2.08 118.95 118.77 2dog s ARG 32 Ca -0.17 -2.02 0.04 0.00 -0.47 0.00 0.00 55.73 53.11 2dog s ARG 32 Cb 0.05 -0.97 -0.03 0.00 -0.57 0.00 0.00 34.95 33.42 2dog s ARG 32 CO 0.82 -0.23 0.24 0.14 -1.08 0.00 0.00 175.30 175.19 2dog s VAL 33 N -3.18 0.00 -0.13 4.99 -7.23 0.18 -4.80 120.40 110.25 2dog s VAL 33 Ca 0.32 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 2dog s VAL 33 Cb 0.07 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.53 2dog s VAL 33 CO 0.15 0.00 -0.11 -0.47 -0.31 0.00 0.00 175.10 174.36 2dog s TYR 34 N -3.69 1.81 -0.78 2.82 5.04 -1.13 -1.30 117.35 120.11 2dog s TYR 34 Ca 0.39 -0.95 -0.21 0.00 -2.44 0.00 0.00 57.07 53.87 2dog s TYR 34 Cb 0.04 -1.39 0.09 0.00 0.35 0.00 0.00 41.96 41.05 2dog s TYR 34 CO 0.22 -0.57 1.05 0.08 -1.34 0.00 0.00 175.55 174.98 2dog s VAL 35 N 1.52 4.46 -0.50 3.14 1.01 -0.54 -1.93 120.40 127.57 2dog s VAL 35 Ca 0.03 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 2dog s VAL 35 Cb -0.13 -4.74 -0.07 0.00 0.00 0.00 0.00 36.38 31.44 2dog s VAL 35 CO -0.08 -1.50 2.41 -0.70 0.00 0.00 0.00 175.10 175.23 2dog s GLU 36 N 3.56 2.07 0.00 2.72 2.56 -1.01 -2.07 118.70 126.53 2dog s GLU 36 Ca 0.27 1.37 0.00 0.00 0.00 0.00 0.00 54.97 56.61 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 -3.34 0.00 0.41 -0.56 0.00 0.00 175.26 171.79 2dog n GLY 37 N 6.04 3.88 0.14 -1.50 0.00 -1.26 -4.25 105.19 108.24 2dog n GLY 37 Ca 0.37 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.88 -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 3.73 0.95 3.67 -1.41 0.00 -1.17 -5.04 105.19 105.91 2dog n GLY 39 Ca 0.00 -1.23 -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 -2.36 3.17 -0.03 1.61 0.52 -1.26 -1.46 118.94 119.13 2dog s TRP 40 Ca 0.16 1.28 0.03 0.00 0.02 0.00 0.00 56.10 57.60 2dog s TRP 40 Cb -0.04 -3.37 -0.03 0.00 -1.15 0.00 0.00 33.47 28.88 2dog s TRP 40 CO 0.11 -1.03 -0.11 1.03 0.02 0.00 0.00 176.95 176.97 2dog s ARG 41 N 2.91 2.51 0.13 4.98 1.81 -0.42 -4.87 118.95 125.99 2dog s ARG 41 Ca 0.51 -0.71 -0.00 0.00 -1.72 0.00 0.00 55.73 53.81 2dog s ARG 41 Cb -0.20 -2.43 -0.04 0.00 -0.45 0.00 0.00 34.95 31.83 2dog s ARG 41 CO 0.14 0.61 0.29 0.00 -0.68 0.00 0.00 175.30 175.67 2dog s ALA 42 N -0.85 3.93 -0.03 2.13 0.00 -1.26 0.51 121.76 126.19 2dog s ALA 42 Ca 0.14 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 2dog s ALA 42 Cb -0.11 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 2dog s ALA 42 CO 0.03 0.64 0.54 0.42 0.00 0.00 0.00 175.76 177.40 2dog s ILE 43 N -1.67 4.98 -0.10 0.00 1.01 -0.88 -0.59 121.20 123.94 2dog s ILE 43 Ca 0.36 1.12 0.02 0.00 0.00 0.00 0.00 60.65 62.16 2dog s ILE 43 Cb -0.12 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 2dog s ILE 43 CO 0.28 0.43 -0.07 -0.62 0.00 0.00 0.00 174.94 174.96 2dog n GLU 44 N 2.77 0.79 -3.65 2.79 1.02 -0.50 -4.82 120.64 119.03 2dog n GLU 44 Ca -0.08 0.05 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 2dog n GLU 44 Cb 0.51 -1.21 -0.07 0.00 -0.02 0.00 0.00 31.44 30.66 2dog n GLU 44 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dog s ASP 45 N -4.78 -0.87 0.05 1.62 2.15 -1.22 -5.02 116.67 108.59 2dog s ASP 45 Ca -0.12 1.38 -0.10 0.00 0.43 0.00 0.00 52.55 54.14 2dog s ASP 45 Cb 0.03 1.62 0.01 0.00 -0.30 0.00 0.00 42.92 44.28 2dog s ASP 45 CO 0.26 -0.23 0.22 -1.48 -0.17 0.00 0.00 175.17 173.78 2dog s LEU 46 N 2.18 1.24 -0.24 -1.34 0.05 -1.26 -0.39 118.68 118.91 2dog s LEU 46 Ca -0.07 -0.36 -0.26 0.00 0.05 0.00 0.00 54.13 53.48 2dog s LEU 46 Cb -0.09 1.08 0.11 0.00 -2.05 0.00 0.00 46.19 45.24 2dog s LEU 46 CO -0.18 -0.60 0.95 -0.72 -0.55 0.00 0.00 176.35 175.25 2dog s TYR 47 N -2.76 -0.52 -0.58 3.48 -0.85 -1.15 -5.00 117.35 109.97 2dog s TYR 47 Ca -0.04 1.20 -0.28 0.00 -0.52 0.00 0.00 57.07 57.43 2dog s TYR 47 Cb -0.00 0.37 0.02 0.00 0.38 0.00 0.00 41.96 42.72 2dog s TYR 47 CO -0.05 -0.30 1.34 -0.98 -1.52 0.00 0.00 175.55 174.04 2dog s ARG 48 N -0.09 3.35 -0.63 -3.49 1.70 -1.26 -2.14 118.95 116.40 2dog s ARG 48 Ca 0.01 0.35 -0.24 0.00 -0.47 0.00 0.00 55.73 55.38 2dog s ARG 48 Cb -0.04 -4.10 0.06 0.00 -0.57 0.00 0.00 34.95 30.30 2dog s ARG 48 CO -0.02 -1.88 1.00 0.08 -1.08 0.00 0.00 175.30 173.39 2dog s VAL 49 N 5.73 4.27 0.00 4.99 1.01 0.27 -4.84 120.40 131.84 2dog s VAL 49 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2dog s VAL 49 Cb -0.10 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.62 2dog s VAL 49 CO 0.24 -1.39 0.00 0.61 0.00 0.00 0.00 175.10 174.56 2dog n GLY 50 N 5.26 0.48 0.87 4.51 0.00 -1.26 -1.21 105.19 113.85 2dog n GLY 50 Ca -0.01 0.57 0.01 0.00 0.00 0.00 0.00 46.02 46.59 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 1.75 -4.04 1.61 1.02 -1.26 -5.02 120.64 114.70 2dog n GLU 51 Ca 0.00 -3.20 -0.13 0.00 -0.02 0.00 0.00 57.16 53.81 2dog n GLU 51 Cb 0.00 -1.72 -0.04 0.00 -0.02 0.00 0.00 31.44 29.66 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 -3.21 1.89 -0.01 3.49 2.02 -0.35 -5.15 118.70 117.38 2dog s GLU 52 Ca 0.41 -1.63 0.02 0.00 0.02 0.00 0.00 54.97 53.79 2dog s GLU 52 Cb 0.38 0.47 -0.00 0.00 0.10 0.00 0.00 34.13 35.08 2dog s GLU 52 CO -0.03 -0.80 -0.07 -0.51 0.02 0.00 0.00 175.26 173.88 2dog s LEU 53 N -3.18 1.98 -0.30 1.80 1.43 -1.23 0.97 118.68 120.15 2dog s LEU 53 Ca 0.27 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 2dog s LEU 53 Cb -0.01 -0.37 0.09 0.00 0.03 0.00 0.00 46.19 45.93 2dog s LEU 53 CO 0.17 0.08 0.02 -0.69 0.23 0.00 0.00 176.35 176.16 2dog s VAL 54 N -0.11 1.87 -0.08 -1.59 1.01 -0.91 0.98 120.40 121.56 2dog s VAL 54 Ca 0.02 -1.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.00 2dog s VAL 54 Cb -0.03 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 2dog s VAL 54 CO -0.00 -0.44 0.35 -0.69 0.00 0.00 0.00 175.10 174.32 2dog s VAL 55 N 1.15 5.20 -0.50 2.92 1.01 0.85 -2.94 120.40 128.10 2dog s VAL 55 Ca 0.05 0.70 -0.08 0.00 0.00 0.00 0.00 61.98 62.64 2dog s VAL 55 Cb -0.19 -3.67 0.13 0.00 0.00 0.00 0.00 36.38 32.65 2dog s VAL 55 CO -0.10 0.48 0.36 -1.00 0.00 0.00 0.00 175.10 174.84 2dog s HIS 56 N -0.29 3.46 0.49 5.22 3.76 0.47 -1.52 115.29 126.88 2dog s HIS 56 Ca 0.21 -2.02 -0.22 0.00 -0.15 0.00 0.00 55.06 52.88 2dog s HIS 56 Cb -0.15 -3.46 -0.07 0.00 1.11 0.00 0.00 32.58 30.01 2dog s HIS 56 CO 0.09 -0.98 1.15 -0.51 -0.85 0.00 0.00 174.74 173.63 2dog s LEU 57 N 1.15 3.92 0.48 0.89 1.43 -1.26 -1.41 118.68 123.88 2dog s LEU 57 Ca 0.08 2.25 -0.23 0.00 -1.03 0.00 0.00 54.13 55.19 2dog s LEU 57 Cb -0.24 -4.36 -0.07 0.00 0.03 0.00 0.00 46.19 41.55 2dog s LEU 57 CO -0.02 -1.00 1.31 0.00 0.23 0.00 0.00 176.35 176.87 2dog s ALA 58 N -1.63 3.02 0.00 4.21 0.00 0.24 -2.82 121.76 124.76 2dog s ALA 58 Ca 0.67 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2dog s ALA 58 Cb -0.26 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2dog s ALA 58 CO 0.31 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2dog n GLY 59 N 0.63 2.16 3.55 0.00 0.00 -1.26 -4.82 105.19 105.45 2dog n GLY 59 Ca 0.07 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.66 3.62 -0.15 1.61 1.01 -1.13 -4.77 120.40 119.94 2dog s VAL 60 Ca 0.00 0.18 0.15 0.00 0.00 0.00 0.00 61.98 62.30 2dog s VAL 60 Cb 0.00 -4.61 0.38 0.00 0.00 0.00 0.00 36.38 32.16 2dog s VAL 60 CO 0.00 -1.55 1.19 0.35 0.00 0.00 0.00 175.10 175.09 2dog n THR 61 N 6.76 1.64 -3.48 3.92 -2.24 -1.26 -4.73 114.28 114.88 2dog n THR 61 Ca 0.13 -2.52 -0.15 0.00 -2.27 0.00 0.00 64.05 59.25 2dog n THR 61 Cb 0.50 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.84 -0.59 0.23 3.42 1.47 -1.26 -4.67 116.67 112.43 2dog s ASP 62 Ca 0.35 0.39 -0.06 0.00 1.18 0.00 0.00 52.55 54.40 2dog s ASP 62 Cb 0.34 0.54 0.39 0.00 -0.34 0.00 0.00 42.92 43.85 2dog s ASP 62 CO -0.07 -0.73 1.75 -0.09 0.68 0.00 0.00 175.17 176.71 2dog h ARG 63 N 2.53 0.49 0.15 2.11 2.43 -1.89 -1.42 114.38 118.80 2dog h ARG 63 Ca -0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2dog h ARG 63 Cb 1.21 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2dog h ARG 63 CO 0.38 0.33 -0.35 1.15 -1.51 0.00 0.00 179.97 179.96 2dog h THR 64 N 0.51 0.00 -0.49 0.20 2.02 -1.96 0.20 112.91 113.39 2dog h THR 64 Ca 0.38 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.65 2dog h THR 64 Cb 0.49 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.82 2dog h THR 64 CO -0.34 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.44 2dog h LEU 65 N -0.55 -0.29 -0.25 2.58 3.38 -1.90 -1.60 115.31 116.67 2dog h LEU 65 Ca -0.02 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2dog h LEU 65 Cb 0.53 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 2dog h LEU 65 CO -0.15 -0.10 -0.10 0.00 0.09 0.00 0.00 178.44 178.18 2dog h ALA 66 N 1.45 0.12 -0.98 1.53 0.00 -0.91 -1.58 119.26 118.90 2dog h ALA 66 Ca 0.24 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.37 2dog h ALA 66 Cb 0.37 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2dog h ALA 66 CO -0.44 -0.50 0.61 0.93 0.00 0.00 0.00 179.25 179.84 2dog h GLU 67 N -0.05 0.92 -0.32 0.00 5.08 0.29 0.11 114.58 120.60 2dog h GLU 67 Ca 0.13 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 2dog h GLU 67 Cb 0.25 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2dog h GLU 67 CO -0.29 0.61 0.36 0.00 -1.00 0.00 0.00 179.01 178.69 2dog h ALA 68 N 1.53 1.99 -0.48 3.43 0.00 -0.40 0.14 119.26 125.48 2dog h ALA 68 Ca 0.49 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.10 2dog h ALA 68 Cb 0.50 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.13 2dog h ALA 68 CO -0.27 -0.52 -0.12 1.28 0.00 0.00 0.00 179.25 179.61 2dog n LEU 69 N -3.73 4.61 -4.35 0.00 4.77 0.36 -4.96 117.00 113.70 2dog n LEU 69 Ca 0.05 -4.01 -0.38 0.00 -0.03 0.00 0.00 56.01 51.64 2dog n LEU 69 Cb 0.51 -0.62 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 2dog n LEU 69 CO 0.27 1.44 -0.25 -0.69 -1.33 0.00 0.00 177.39 176.83 2dog s VAL 70 N -3.63 4.09 0.00 4.08 1.01 0.50 -4.42 120.40 122.03 2dog s VAL 70 Ca 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2dog s VAL 70 Cb 0.42 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2dog s VAL 70 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.73 2dog n GLY 71 N 4.89 1.55 3.82 4.51 0.00 -1.24 -5.04 105.19 113.69 2dog n GLY 71 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 2.81 -0.17 0.99 1.43 -1.26 -4.86 118.68 117.63 2dog s LEU 72 Ca 0.00 1.36 -0.07 0.00 -1.03 0.00 0.00 54.13 54.39 2dog s LEU 72 Cb 0.00 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 2dog s LEU 72 CO 0.00 -1.69 0.07 -0.13 0.23 0.00 0.00 176.35 174.83 2dog s ARG 73 N -5.16 3.83 0.13 1.70 0.52 -1.26 -2.98 118.95 115.72 2dog s ARG 73 Ca 0.59 -0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 55.28 2dog s ARG 73 Cb -0.14 -3.19 -0.07 0.00 0.52 0.00 0.00 34.95 32.07 2dog s ARG 73 CO 0.54 0.39 0.67 0.08 0.02 0.00 0.00 175.30 177.00 2dog s VAL 74 N 0.05 4.56 0.25 3.52 1.01 -0.59 -2.42 120.40 126.79 2dog s VAL 74 Ca 0.06 1.43 0.12 0.00 0.00 0.00 0.00 61.98 63.59 2dog s VAL 74 Cb -0.12 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2dog s VAL 74 CO 0.01 0.51 -0.20 -0.31 0.00 0.00 0.00 175.10 175.11 2dog s TYR 75 N -1.16 2.33 0.31 5.22 1.51 -0.81 -3.36 117.35 121.39 2dog s TYR 75 Ca 0.33 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 56.14 2dog s TYR 75 Cb -0.21 -1.06 -0.06 0.00 -0.11 0.00 0.00 41.96 40.52 2dog s TYR 75 CO 0.22 0.64 -0.06 0.00 -1.11 0.00 0.00 175.55 175.25 2dog s ALA 76 N -2.22 2.57 -0.22 3.71 0.00 0.98 -2.85 121.76 123.73 2dog s ALA 76 Ca 0.27 -1.99 0.01 0.00 0.00 0.00 0.00 51.96 50.25 2dog s ALA 76 Cb -0.06 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.25 2dog s ALA 76 CO 0.14 -0.05 -0.14 -2.00 0.00 0.00 0.00 175.76 173.71 2dog s GLU 77 N -3.70 2.66 0.50 0.00 2.12 -1.26 -1.90 118.70 117.11 2dog s GLU 77 Ca 0.31 -1.06 0.25 0.00 0.36 0.00 0.00 54.97 54.83 2dog s GLU 77 Cb 0.04 -2.76 1.32 0.00 0.26 0.00 0.00 34.13 32.99 2dog s GLU 77 CO 0.14 -0.38 1.92 0.28 -0.54 0.00 0.00 175.26 176.67 2dog h VAL 78 N 6.30 0.66 -0.93 3.70 2.07 -1.93 0.46 116.25 126.59 2dog h VAL 78 Ca -0.33 -0.05 0.25 0.00 0.82 0.00 0.00 66.70 67.39 2dog h VAL 78 Cb 1.09 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2dog h VAL 78 CO 0.56 0.02 0.65 0.00 0.02 0.00 0.00 177.57 178.82 2dog h ALA 79 N 1.63 2.63 0.12 1.67 0.00 -1.94 -1.25 119.26 122.13 2dog h ALA 79 Ca 0.38 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.91 2dog h ALA 79 Cb 1.28 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2dog h ALA 79 CO -0.05 -0.92 -2.03 -0.25 0.00 0.00 0.00 179.25 176.00 2dog n ASP 80 N -4.36 2.12 -4.58 0.00 9.92 0.13 -4.94 116.55 114.83 2dog n ASP 80 Ca 0.20 0.19 -0.40 0.00 -0.53 0.00 0.00 54.79 54.24 2dog n ASP 80 Cb 0.90 -0.83 0.02 0.00 -0.64 0.00 0.00 41.12 40.58 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 -3.47 2.45 -4.67 0.64 4.77 -0.47 -4.97 117.00 111.29 2dog n LEU 81 Ca -0.33 0.93 -0.29 0.00 -0.03 0.00 0.00 56.01 56.30 2dog n LEU 81 Cb 1.04 -1.32 0.18 0.00 -2.33 0.00 0.00 43.42 40.99 2dog n LEU 81 CO 0.42 -1.87 0.64 -2.16 -1.33 0.00 0.00 177.39 173.08 2dog s PRO 82 N -2.17 0.33 0.75 3.23 0.04 -1.26 -4.95 135.00 130.96 2dog s PRO 82 Ca 0.67 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 2dog s PRO 82 Cb -0.51 -1.73 0.04 0.00 0.04 0.00 0.00 34.50 32.34 2dog s PRO 82 CO 0.54 -2.79 1.10 -1.25 0.04 0.00 0.00 177.00 174.63 2dog s PRO 83 N -4.97 2.38 -0.28 0.56 0.04 -1.26 -5.04 135.00 126.43 2dog s PRO 83 Ca 0.66 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.94 2dog s PRO 83 Cb -0.19 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2dog s PRO 83 CO 0.58 -1.56 -0.00 -0.51 0.04 0.00 0.00 177.00 175.55 2dog s LEU 84 N -5.67 3.24 0.00 -3.56 1.43 -1.26 -5.30 118.68 107.56 2dog s LEU 84 Ca 0.63 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 2dog s LEU 84 Cb -0.18 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.74 2dog s LEU 84 CO 0.53 -0.30 0.17 1.21 0.23 0.00 0.00 176.35 178.18