#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 3.86 -3.67 0.03 3.00 -1.26 -5.03 116.66 113.60 2dog n ARG 2 Ca 0.00 -4.43 -0.21 0.00 -0.00 0.00 0.00 57.85 53.22 2dog n ARG 2 Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 32.46 30.13 2dog n ARG 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dog s LEU 3 N -3.90 4.12 -0.07 6.15 1.43 -1.26 -3.76 118.68 121.39 2dog s LEU 3 Ca 0.46 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 2dog s LEU 3 Cb 0.31 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2dog s LEU 3 CO -0.21 -0.27 0.28 0.68 0.23 0.00 0.00 176.35 177.06 2dog s VAL 4 N -2.12 0.02 -0.17 -1.59 -7.23 -0.77 -4.92 120.40 103.63 2dog s VAL 4 Ca 0.40 -0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 60.07 2dog s VAL 4 Cb -0.09 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 2dog s VAL 4 CO 0.31 -0.11 1.19 -0.70 -0.31 0.00 0.00 175.10 175.48 2dog s GLU 5 N -0.42 4.26 -0.20 4.82 2.12 -1.26 0.03 118.70 128.05 2dog s GLU 5 Ca -0.05 1.58 0.04 0.00 0.36 0.00 0.00 54.97 56.90 2dog s GLU 5 Cb -0.04 -3.70 -0.15 0.00 0.26 0.00 0.00 34.13 30.50 2dog s GLU 5 CO 0.02 -0.64 -0.14 0.44 -0.54 0.00 0.00 175.26 174.39 2dog n ILE 6 N 5.24 1.21 -3.86 -3.70 -5.35 -1.19 -4.96 119.36 106.75 2dog n ILE 6 Ca 0.13 -0.52 -0.10 0.00 -0.27 0.00 0.00 62.75 61.99 2dog n ILE 6 Cb 0.45 -1.12 0.01 0.00 -1.74 0.00 0.00 39.64 37.24 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 -5.88 0.55 0.02 3.28 0.00 -1.25 -0.14 107.32 103.90 2dog s GLY 7 Ca -0.25 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.61 2dog s GLY 7 CO 0.53 -0.43 -0.04 -1.60 0.00 0.00 0.00 173.10 171.57 2dog s ARG 8 N -2.57 0.31 -0.10 2.90 3.00 -0.66 -1.98 118.95 119.85 2dog s ARG 8 Ca 0.18 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.73 54.10 2dog s ARG 8 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 34.95 34.87 2dog s ARG 8 CO 0.13 -0.01 1.15 -0.06 0.00 0.00 0.00 175.30 176.50 2dog s PHE 9 N -1.12 3.24 0.00 5.12 0.08 -1.08 -1.91 117.98 122.30 2dog s PHE 9 Ca -0.11 1.30 0.00 0.00 0.12 0.00 0.00 56.93 58.24 2dog s PHE 9 Cb -0.08 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 2dog s PHE 9 CO -0.01 -1.03 0.00 0.41 -0.10 0.00 0.00 175.22 174.49 2dog n GLY 10 N 3.33 -0.06 3.29 4.36 0.00 -0.39 -2.69 105.19 113.03 2dog n GLY 10 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.48 1.84 -0.20 4.61 0.00 -1.26 -4.44 121.76 117.83 2dog s ALA 11 Ca 0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 2dog s ALA 11 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2dog s ALA 11 CO 0.00 0.38 1.59 -1.25 0.00 0.00 0.00 175.76 176.49 2dog s PRO 12 N -1.74 3.87 1.14 0.00 0.04 -1.26 -1.75 135.00 135.30 2dog s PRO 12 Ca 0.07 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 2dog s PRO 12 Cb -0.10 -4.01 0.21 0.00 0.04 0.00 0.00 34.50 30.64 2dog s PRO 12 CO 0.04 -1.21 0.41 0.98 0.04 0.00 0.00 177.00 177.26 2dog n TYR 13 N 8.17 -2.43 -1.03 0.56 9.36 0.25 -4.86 117.16 127.18 2dog n TYR 13 Ca 0.18 -0.16 -0.36 0.00 3.32 0.00 0.00 57.90 60.88 2dog n TYR 13 Cb 0.45 -1.42 0.06 0.00 -0.63 0.00 0.00 39.34 37.79 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 -4.76 -3.95 -0.55 2.98 0.00 -1.26 -4.49 120.51 108.49 2dog n ALA 14 Ca 0.06 -0.51 0.45 0.00 0.00 0.00 0.00 53.44 53.44 2dog n ALA 14 Cb 0.47 -1.42 0.74 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.89 0.00 -1.31 0.00 3.38 -1.93 -0.46 115.31 114.10 2dog h LEU 15 Ca -0.44 0.00 0.41 0.00 0.09 0.00 0.00 57.88 57.94 2dog h LEU 15 Cb 1.32 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 2dog h LEU 15 CO 0.31 0.00 0.91 0.29 0.09 0.00 0.00 178.44 180.04 2dog n LYS 16 N -3.82 -0.01 0.00 1.13 4.76 -1.26 -3.85 118.16 115.11 2dog n LYS 16 Ca 0.37 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.70 2dog n LYS 16 Cb 1.80 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 33.08 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 -1.57 1.44 3.89 0.72 0.00 -0.18 -4.52 105.19 104.98 2dog n GLY 17 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 1.71 -0.09 -0.02 0.00 -1.23 -4.53 107.32 101.17 2dog s GLY 18 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.38 2dog s GLY 18 CO 0.00 -0.17 -0.10 1.08 0.00 0.00 0.00 173.10 173.91 2dog s LEU 19 N -4.35 1.45 -0.45 0.66 1.43 -0.64 0.86 118.68 117.64 2dog s LEU 19 Ca 0.49 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.02 2dog s LEU 19 Cb -0.10 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2dog s LEU 19 CO 0.39 -0.03 1.91 -0.13 0.23 0.00 0.00 176.35 178.72 2dog s ARG 20 N 1.12 2.91 -0.37 1.70 0.52 -0.72 0.14 118.95 124.25 2dog s ARG 20 Ca -0.06 1.14 -0.09 0.00 -0.52 0.00 0.00 55.73 56.21 2dog s ARG 20 Cb -0.14 -4.32 0.05 0.00 0.52 0.00 0.00 34.95 31.05 2dog s ARG 20 CO -0.02 -2.37 0.18 0.12 0.02 0.00 0.00 175.30 173.23 2dog s PHE 21 N 8.41 3.27 -0.65 -0.53 5.36 0.27 -1.27 117.98 132.86 2dog s PHE 21 Ca 0.78 -1.30 -0.16 0.00 -0.96 0.00 0.00 56.93 55.29 2dog s PHE 21 Cb -0.18 -2.50 0.15 0.00 -0.34 0.00 0.00 43.02 40.14 2dog s PHE 21 CO 0.28 -0.73 0.65 0.50 -1.46 0.00 0.00 175.22 174.46 2dog s ARG 22 N 1.46 3.19 0.26 10.12 3.00 -0.81 -3.89 118.95 132.28 2dog s ARG 22 Ca 0.01 -1.81 0.00 0.00 -1.00 0.00 0.00 55.73 52.93 2dog s ARG 22 Cb -0.20 -4.36 -0.03 0.00 0.00 0.00 0.00 34.95 30.36 2dog s ARG 22 CO 0.04 -1.40 0.25 0.20 0.00 0.00 0.00 175.30 174.39 2dog s GLY 23 N 3.25 1.65 0.77 8.12 0.00 -1.26 -1.66 107.32 118.19 2dog s GLY 23 Ca 0.10 -1.72 -0.16 0.00 0.00 0.00 0.00 44.72 42.94 2dog s GLY 23 CO 0.00 -1.30 0.28 1.18 0.00 0.00 0.00 173.10 173.26 2dog n GLU 24 N -0.43 0.14 0.15 2.90 -0.58 0.80 -4.84 120.64 118.78 2dog n GLU 24 Ca 0.03 0.08 0.13 0.00 -0.42 0.00 0.00 57.16 56.98 2dog n GLU 24 Cb 0.64 -1.65 0.53 0.00 -0.57 0.00 0.00 31.44 30.39 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 -0.60 0.00 0.00 3.49 0.13 -2.01 -2.80 132.00 130.22 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 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2dog h PRO 25 CO 0.39 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 179.71 2dog n VAL 26 N -2.37 1.12 0.32 1.56 3.14 -1.26 -2.11 118.33 118.73 2dog n VAL 26 Ca 0.02 0.36 0.09 0.00 -2.96 0.00 0.00 64.34 61.85 2dog n VAL 26 Cb 0.24 -1.26 0.40 0.00 -1.06 0.00 0.00 33.84 32.16 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 -1.87 1.07 1.51 1.55 3.14 -1.06 -1.86 118.33 120.82 2dog n VAL 27 Ca 0.02 0.37 0.12 0.00 -2.96 0.00 0.00 64.34 61.89 2dog n VAL 27 Cb 0.14 -1.28 0.70 0.00 -1.06 0.00 0.00 33.84 32.33 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 -1.95 0.00 -0.18 6.55 4.77 -0.90 -2.34 117.00 122.95 2dog n LEU 28 Ca 0.01 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2dog n LEU 28 Cb 0.14 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 2dog n LEU 28 CO 0.13 0.00 0.55 1.41 -1.33 0.00 0.00 177.39 178.16 2dog n HIS 29 N -0.99 0.14 -3.41 -1.77 8.25 -0.78 -5.03 115.22 111.63 2dog n HIS 29 Ca 0.18 -0.65 -0.20 0.00 -0.26 0.00 0.00 57.72 56.79 2dog n HIS 29 Cb 0.08 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.61 3.52 0.00 2.41 1.43 -0.99 -4.78 118.68 118.65 2dog s LEU 30 Ca 0.15 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2dog s LEU 30 Cb 0.11 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2dog s LEU 30 CO 0.04 -0.65 0.00 1.21 0.23 0.00 0.00 176.35 177.18 2dog n GLU 31 N -1.63 1.97 -4.35 1.70 2.13 -1.26 -5.04 120.64 114.17 2dog n GLU 31 Ca 0.04 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.68 2dog n GLU 31 Cb 0.61 -0.82 -0.10 0.00 0.27 0.00 0.00 31.44 31.39 2dog n GLU 31 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2dog s ARG 32 N -1.64 1.35 0.33 5.31 1.70 -1.26 -1.32 118.95 123.42 2dog s ARG 32 Ca 0.00 -1.66 0.04 0.00 -0.47 0.00 0.00 55.73 53.64 2dog s ARG 32 Cb 0.00 -0.84 -0.04 0.00 -0.57 0.00 0.00 34.95 33.50 2dog s ARG 32 CO 0.00 0.01 0.15 0.14 -1.08 0.00 0.00 175.30 174.52 2dog s VAL 33 N -3.22 0.46 -0.12 4.99 -7.23 0.14 -4.78 120.40 110.63 2dog s VAL 33 Ca 0.26 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 2dog s VAL 33 Cb 0.04 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.51 2dog s VAL 33 CO 0.08 0.00 -0.06 -0.47 -0.31 0.00 0.00 175.10 174.34 2dog s TYR 34 N -3.47 1.43 -0.82 2.82 5.04 -1.08 -0.59 117.35 120.69 2dog s TYR 34 Ca 0.33 -0.75 -0.23 0.00 -2.44 0.00 0.00 57.07 53.98 2dog s TYR 34 Cb 0.05 -1.20 0.07 0.00 0.35 0.00 0.00 41.96 41.22 2dog s TYR 34 CO 0.17 -0.52 1.19 0.08 -1.34 0.00 0.00 175.55 175.13 2dog s VAL 35 N 1.72 4.16 -0.50 3.14 1.01 -0.59 -1.91 120.40 127.43 2dog s VAL 35 Ca 0.04 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 2dog s VAL 35 Cb -0.13 -4.85 -0.07 0.00 0.00 0.00 0.00 36.38 31.33 2dog s VAL 35 CO -0.08 -1.68 2.42 1.21 0.00 0.00 0.00 175.10 176.98 2dog n GLU 36 N 8.16 1.02 0.00 2.72 4.07 -0.35 -2.13 120.64 134.12 2dog n GLU 36 Ca 0.12 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 2dog n GLU 36 Cb 0.48 -3.45 0.00 0.00 -0.06 0.00 0.00 31.44 28.41 2dog n GLU 36 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dog n GLY 37 N 6.03 4.19 0.10 8.31 0.00 -1.26 -4.20 105.19 118.36 2dog n GLY 37 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.16 115.22 115.24 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 3.44 0.96 3.77 -1.41 0.00 -1.18 -5.04 105.19 105.73 2dog n GLY 39 Ca 0.00 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.41 3.59 0.28 1.61 0.52 -1.26 -1.54 118.94 119.72 2dog s TRP 40 Ca 0.16 1.74 0.03 0.00 0.02 0.00 0.00 56.10 58.06 2dog s TRP 40 Cb -0.04 -3.08 -0.06 0.00 -1.15 0.00 0.00 33.47 29.14 2dog s TRP 40 CO 0.10 -0.19 0.05 1.03 0.02 0.00 0.00 176.95 177.97 2dog s ARG 41 N -1.89 1.49 0.10 4.98 1.81 0.24 -4.84 118.95 120.84 2dog s ARG 41 Ca 0.49 -1.80 0.09 0.00 -1.72 0.00 0.00 55.73 52.79 2dog s ARG 41 Cb -0.24 -0.63 -0.04 0.00 -0.45 0.00 0.00 34.95 33.59 2dog s ARG 41 CO 0.31 -0.19 -0.20 0.00 -0.68 0.00 0.00 175.30 174.54 2dog s ALA 42 N -3.46 2.59 -0.02 2.13 0.00 -1.26 0.23 121.76 121.97 2dog s ALA 42 Ca 0.35 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 2dog s ALA 42 Cb 0.08 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2dog s ALA 42 CO 0.13 0.58 0.52 0.42 0.00 0.00 0.00 175.76 177.41 2dog s ILE 43 N -1.07 4.97 -0.16 0.00 1.01 -0.44 -1.60 121.20 123.92 2dog s ILE 43 Ca 0.16 1.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.87 2dog s ILE 43 Cb -0.10 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 2dog s ILE 43 CO 0.08 0.46 -0.17 -0.62 0.00 0.00 0.00 174.94 174.69 2dog n GLU 44 N 2.58 0.38 -3.65 2.79 -0.58 -0.37 -4.81 120.64 116.98 2dog n GLU 44 Ca -0.09 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.64 2dog n GLU 44 Cb 0.51 -1.23 -0.08 0.00 -0.57 0.00 0.00 31.44 30.08 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 -5.88 -0.73 0.07 1.62 2.15 -1.22 -5.02 116.67 107.65 2dog s ASP 45 Ca -0.22 1.35 -0.17 0.00 0.43 0.00 0.00 52.55 53.95 2dog s ASP 45 Cb 0.07 1.34 0.03 0.00 -0.30 0.00 0.00 42.92 44.06 2dog s ASP 45 CO 0.33 -0.23 0.39 -1.48 -0.17 0.00 0.00 175.17 174.02 2dog s LEU 46 N 0.63 0.48 -0.27 -1.34 0.05 -1.26 -0.00 118.68 116.96 2dog s LEU 46 Ca -0.02 -0.14 -0.25 0.00 0.05 0.00 0.00 54.13 53.76 2dog s LEU 46 Cb -0.05 1.71 0.11 0.00 -2.05 0.00 0.00 46.19 45.91 2dog s LEU 46 CO -0.03 -0.72 0.94 -0.72 -0.55 0.00 0.00 176.35 175.27 2dog s TYR 47 N -2.96 -0.56 -0.61 3.48 -0.85 -1.13 -5.00 117.35 109.72 2dog s TYR 47 Ca -0.02 1.34 -0.27 0.00 -0.52 0.00 0.00 57.07 57.60 2dog s TYR 47 Cb 0.00 0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.69 2dog s TYR 47 CO -0.06 -0.28 1.49 -0.98 -1.52 0.00 0.00 175.55 174.20 2dog s ARG 48 N 0.20 3.12 -0.63 -3.49 1.70 -1.26 -2.15 118.95 116.44 2dog s ARG 48 Ca 0.02 0.33 -0.24 0.00 -0.47 0.00 0.00 55.73 55.37 2dog s ARG 48 Cb -0.05 -4.20 0.05 0.00 -0.57 0.00 0.00 34.95 30.18 2dog s ARG 48 CO -0.04 -2.17 1.02 0.08 -1.08 0.00 0.00 175.30 173.11 2dog s VAL 49 N 6.67 4.24 0.00 4.99 1.01 0.25 -4.84 120.40 132.72 2dog s VAL 49 Ca 0.52 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2dog s VAL 49 Cb -0.11 -4.67 0.00 0.00 0.00 0.00 0.00 36.38 31.61 2dog s VAL 49 CO 0.22 -1.38 0.00 0.61 0.00 0.00 0.00 175.10 174.55 2dog n GLY 50 N 5.24 1.04 1.16 4.51 0.00 -1.26 -1.27 105.19 114.61 2dog n GLY 50 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 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 2.36 -4.09 1.61 1.02 -1.26 -5.00 120.64 115.28 2dog n GLU 51 Ca 0.00 -3.03 -0.14 0.00 -0.02 0.00 0.00 57.16 53.97 2dog n GLU 51 Cb 0.00 -1.87 -0.05 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 -3.08 1.82 -0.01 3.49 2.02 -0.39 -5.14 118.70 117.41 2dog s GLU 52 Ca 0.45 -1.70 0.03 0.00 0.02 0.00 0.00 54.97 53.77 2dog s GLU 52 Cb 0.39 0.43 -0.01 0.00 0.10 0.00 0.00 34.13 35.04 2dog s GLU 52 CO 0.05 -0.75 -0.10 -0.51 0.02 0.00 0.00 175.26 173.97 2dog s LEU 53 N -3.21 2.02 -0.28 1.80 1.43 -1.25 0.87 118.68 120.05 2dog s LEU 53 Ca 0.31 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2dog s LEU 53 Cb 0.00 -0.52 0.08 0.00 0.03 0.00 0.00 46.19 45.78 2dog s LEU 53 CO 0.19 0.12 -0.02 -0.69 0.23 0.00 0.00 176.35 176.18 2dog s VAL 54 N -0.24 1.93 -0.11 -1.59 1.01 -0.91 0.97 120.40 121.46 2dog s VAL 54 Ca 0.04 -1.75 -0.11 0.00 0.00 0.00 0.00 61.98 60.16 2dog s VAL 54 Cb -0.04 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2dog s VAL 54 CO -0.00 -0.30 0.25 -0.69 0.00 0.00 0.00 175.10 174.36 2dog s VAL 55 N 1.16 5.32 -0.39 2.92 1.01 0.12 -2.82 120.40 127.71 2dog s VAL 55 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 2dog s VAL 55 Cb -0.19 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.69 2dog s VAL 55 CO -0.08 0.52 0.20 -1.00 0.00 0.00 0.00 175.10 174.75 2dog s HIS 56 N -0.46 3.30 0.45 5.22 3.76 1.00 -1.62 115.29 126.94 2dog s HIS 56 Ca 0.17 -1.41 -0.20 0.00 -0.15 0.00 0.00 55.06 53.47 2dog s HIS 56 Cb -0.13 -2.67 -0.10 0.00 1.11 0.00 0.00 32.58 30.79 2dog s HIS 56 CO 0.06 -0.78 0.96 -0.51 -0.85 0.00 0.00 174.74 173.62 2dog s LEU 57 N 1.44 3.87 0.21 0.89 1.43 -1.26 -1.23 118.68 124.02 2dog s LEU 57 Ca 0.02 1.67 -0.30 0.00 -1.03 0.00 0.00 54.13 54.49 2dog s LEU 57 Cb -0.21 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.38 2dog s LEU 57 CO 0.03 -0.43 1.37 0.00 0.23 0.00 0.00 176.35 177.55 2dog s ALA 58 N -2.27 3.58 0.00 4.21 0.00 -0.62 -2.96 121.76 123.69 2dog s ALA 58 Ca 0.62 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2dog s ALA 58 Cb -0.09 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2dog s ALA 58 CO 0.17 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2dog n GLY 59 N 2.40 2.99 3.56 0.00 0.00 -1.26 -4.86 105.19 108.03 2dog n GLY 59 Ca 0.07 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.92 3.54 -0.03 1.61 1.01 -1.16 -4.73 120.40 119.72 2dog s VAL 60 Ca 0.00 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.40 2dog s VAL 60 Cb 0.00 -4.24 0.06 0.00 0.00 0.00 0.00 36.38 32.20 2dog s VAL 60 CO 0.00 -1.13 0.91 0.35 0.00 0.00 0.00 175.10 175.23 2dog n THR 61 N 6.97 0.82 -3.84 3.92 -2.24 -1.26 -4.70 114.28 113.95 2dog n THR 61 Ca 0.15 -0.91 -0.12 0.00 -2.27 0.00 0.00 64.05 60.90 2dog n THR 61 Cb 0.50 0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.18 -0.08 0.42 3.42 -4.77 -1.26 -4.43 116.67 108.79 2dog s ASP 62 Ca 0.07 0.04 0.21 0.00 -3.30 0.00 0.00 52.55 49.57 2dog s ASP 62 Cb 0.06 0.28 1.17 0.00 -1.09 0.00 0.00 42.92 43.35 2dog s ASP 62 CO 0.01 -0.26 1.77 -0.09 0.70 0.00 0.00 175.17 177.29 2dog h ARG 63 N 4.82 0.32 0.54 2.11 2.43 -1.88 -1.77 114.38 120.95 2dog h ARG 63 Ca -0.29 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 2dog h ARG 63 Cb 1.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2dog h ARG 63 CO 0.40 0.21 -0.29 1.15 -1.51 0.00 0.00 179.97 179.93 2dog h THR 64 N 0.33 0.00 -0.87 0.20 2.02 -1.95 0.20 112.91 112.83 2dog h THR 64 Ca 0.60 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.96 2dog h THR 64 Cb 1.65 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.95 2dog h THR 64 CO -0.27 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 175.97 2dog h LEU 65 N -0.77 0.45 0.52 2.58 3.38 -1.78 -1.23 115.31 118.46 2dog h LEU 65 Ca -0.07 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2dog h LEU 65 Cb 0.60 0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2dog h LEU 65 CO 0.10 0.13 -0.25 0.00 0.09 0.00 0.00 178.44 178.51 2dog h ALA 66 N 1.63 -0.70 -0.99 1.53 0.00 -1.19 -2.82 119.26 116.71 2dog h ALA 66 Ca 0.51 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.47 2dog h ALA 66 Cb 0.84 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2dog h ALA 66 CO -0.43 -0.84 0.63 0.93 0.00 0.00 0.00 179.25 179.54 2dog h GLU 67 N -0.81 0.48 0.00 0.00 5.08 0.19 0.59 114.58 120.11 2dog h GLU 67 Ca -0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2dog h GLU 67 Cb 0.58 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2dog h GLU 67 CO 0.12 0.32 -0.04 0.00 -1.00 0.00 0.00 179.01 178.40 2dog h ALA 68 N 1.63 1.57 -0.35 3.43 0.00 -1.00 -1.03 119.26 123.52 2dog h ALA 68 Ca 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2dog h ALA 68 Cb 1.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dog h ALA 68 CO -0.29 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.30 2dog n LEU 69 N -3.97 4.38 -4.75 0.00 4.77 0.20 -4.97 117.00 112.66 2dog n LEU 69 Ca -0.03 -3.02 -0.37 0.00 -0.03 0.00 0.00 56.01 52.56 2dog n LEU 69 Cb 0.13 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 2dog n LEU 69 CO 0.30 0.67 0.07 -0.69 -1.33 0.00 0.00 177.39 176.41 2dog s VAL 70 N -2.83 5.21 0.00 4.08 1.01 -0.39 -4.25 120.40 123.23 2dog s VAL 70 Ca 0.46 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2dog s VAL 70 Cb 0.36 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2dog s VAL 70 CO 0.10 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2dog n GLY 71 N 2.96 3.10 3.48 4.51 0.00 -1.09 -5.03 105.19 113.11 2dog n GLY 71 Ca -0.11 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 2dog n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dog n LEU 72 N 0.00 -1.10 -4.70 0.99 4.77 -1.26 -4.62 117.00 111.07 2dog n LEU 72 Ca 0.00 -0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.54 2dog n LEU 72 Cb 0.00 -1.27 -0.08 0.00 -2.33 0.00 0.00 43.42 39.74 2dog n LEU 72 CO 0.00 -3.20 -0.31 0.00 -1.33 0.00 0.00 177.39 172.55 2dog s ARG 73 N -4.38 2.81 -0.06 3.23 1.70 -1.26 -2.62 118.95 118.37 2dog s ARG 73 Ca 0.68 -0.62 -0.04 0.00 -0.47 0.00 0.00 55.73 55.28 2dog s ARG 73 Cb -0.25 -2.69 -0.04 0.00 -0.57 0.00 0.00 34.95 31.40 2dog s ARG 73 CO 0.65 0.61 0.11 0.08 -1.08 0.00 0.00 175.30 175.68 2dog s VAL 74 N -1.15 5.12 0.24 4.99 1.01 -0.84 -1.21 120.40 128.56 2dog s VAL 74 Ca 0.21 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.21 2dog s VAL 74 Cb -0.12 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2dog s VAL 74 CO 0.12 0.48 -0.18 -0.31 0.00 0.00 0.00 175.10 175.21 2dog s TYR 75 N -1.12 2.37 0.31 5.22 1.51 -0.80 -3.20 117.35 121.64 2dog s TYR 75 Ca 0.20 -0.32 0.10 0.00 -1.01 0.00 0.00 57.07 56.04 2dog s TYR 75 Cb -0.12 -1.09 -0.06 0.00 -0.11 0.00 0.00 41.96 40.58 2dog s TYR 75 CO 0.10 0.61 -0.14 0.00 -1.11 0.00 0.00 175.55 175.01 2dog s ALA 76 N -2.12 2.79 -0.18 3.71 0.00 0.10 -2.64 121.76 123.43 2dog s ALA 76 Ca 0.26 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.25 2dog s ALA 76 Cb -0.07 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2dog s ALA 76 CO 0.14 0.16 -0.17 -2.00 0.00 0.00 0.00 175.76 173.88 2dog s GLU 77 N -3.58 3.09 0.66 0.00 2.12 -1.26 -1.85 118.70 117.88 2dog s GLU 77 Ca 0.31 -0.79 0.39 0.00 0.36 0.00 0.00 54.97 55.24 2dog s GLU 77 Cb -0.01 -2.64 2.14 0.00 0.26 0.00 0.00 34.13 33.88 2dog s GLU 77 CO 0.15 -0.16 2.23 0.28 -0.54 0.00 0.00 175.26 177.22 2dog h VAL 78 N 5.86 0.06 -0.39 3.70 2.07 -1.93 -1.18 116.25 124.44 2dog h VAL 78 Ca -0.42 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2dog h VAL 78 Cb 1.15 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2dog h VAL 78 CO 0.62 0.00 0.26 0.00 0.02 0.00 0.00 177.57 178.47 2dog h ALA 79 N 1.81 1.98 0.02 1.67 0.00 -1.94 -2.46 119.26 120.33 2dog h ALA 79 Ca 0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 2dog h ALA 79 Cb 0.21 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2dog h ALA 79 CO -0.00 -0.04 -2.02 -0.25 0.00 0.00 0.00 179.25 176.93 2dog n ASP 80 N -4.48 0.85 -4.71 0.00 8.00 -0.46 -4.96 116.55 110.79 2dog n ASP 80 Ca 0.05 0.21 -0.34 0.00 0.71 0.00 0.00 54.79 55.42 2dog n ASP 80 Cb 0.24 0.14 0.11 0.00 -0.02 0.00 0.00 41.12 41.59 2dog n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dog s LEU 81 N -6.06 3.23 0.50 0.64 1.43 -0.93 -4.96 118.68 112.54 2dog s LEU 81 Ca -0.11 2.39 -0.21 0.00 -1.03 0.00 0.00 54.13 55.16 2dog s LEU 81 Cb 0.07 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.63 2dog s LEU 81 CO 0.80 -2.49 1.15 -2.16 0.23 0.00 0.00 176.35 173.88 2dog s PRO 82 N -4.01 3.57 0.20 1.29 0.04 -1.26 -4.95 135.00 129.89 2dog s PRO 82 Ca 0.74 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.18 2dog s PRO 82 Cb -0.30 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 2dog s PRO 82 CO 0.48 -0.69 1.30 -1.25 0.04 0.00 0.00 177.00 176.88 2dog s PRO 83 N -2.97 4.40 0.64 0.56 0.04 -1.26 -4.89 135.00 131.51 2dog s PRO 83 Ca 0.68 2.05 0.32 0.00 0.04 0.00 0.00 61.00 64.08 2dog s PRO 83 Cb -0.26 -3.19 1.74 0.00 0.04 0.00 0.00 34.50 32.82 2dog s PRO 83 CO 0.31 -0.23 2.03 1.37 0.04 0.00 0.00 177.00 180.52 2dog h LEU 84 N 5.27 0.00 -1.92 -3.56 -0.00 -2.00 -3.57 115.31 109.53 2dog h LEU 84 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2dog h LEU 84 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2dog h LEU 84 CO 0.76 0.00 0.00 -1.84 -0.00 0.00 0.00 178.44 177.36