#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 2.98 0.22 0.03 0.52 -1.26 -4.95 118.95 116.49 2dog s ARG 2 Ca 0.00 -0.88 0.05 0.00 -0.52 0.00 0.00 55.73 54.38 2dog s ARG 2 Cb 0.00 -5.23 -0.03 0.00 0.52 0.00 0.00 34.95 30.20 2dog s ARG 2 CO 0.00 -3.07 0.26 -0.51 0.02 0.00 0.00 175.30 172.00 2dog s LEU 3 N 8.27 4.07 -0.02 2.53 1.43 -1.26 -4.05 118.68 129.64 2dog s LEU 3 Ca 0.62 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2dog s LEU 3 Cb -0.03 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.60 2dog s LEU 3 CO 0.01 -0.02 0.04 0.68 0.23 0.00 0.00 176.35 177.28 2dog s VAL 4 N -1.96 -0.05 0.15 -1.59 -7.23 -0.87 -4.94 120.40 103.91 2dog s VAL 4 Ca 0.33 0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.39 2dog s VAL 4 Cb -0.09 -0.09 -0.08 0.00 0.56 0.00 0.00 36.38 36.69 2dog s VAL 4 CO 0.27 0.08 1.29 -0.70 -0.31 0.00 0.00 175.10 175.72 2dog s GLU 5 N 0.96 4.40 -0.07 4.82 2.12 -1.26 -0.61 118.70 129.05 2dog s GLU 5 Ca -0.08 1.97 0.01 0.00 0.36 0.00 0.00 54.97 57.24 2dog s GLU 5 Cb -0.11 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2dog s GLU 5 CO -0.03 -0.27 -0.05 0.44 -0.54 0.00 0.00 175.26 174.81 2dog n ILE 6 N 3.20 0.44 -3.86 -3.70 -5.35 -1.20 -4.93 119.36 103.96 2dog n ILE 6 Ca 0.08 -0.19 -0.10 0.00 -0.27 0.00 0.00 62.75 62.27 2dog n ILE 6 Cb 0.44 -0.79 0.01 0.00 -1.74 0.00 0.00 39.64 37.56 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 -4.57 0.59 -0.01 3.28 0.00 -1.26 -0.74 107.32 104.62 2dog s GLY 7 Ca -0.09 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 2dog s GLY 7 CO 0.19 -0.44 0.04 -1.60 0.00 0.00 0.00 173.10 171.29 2dog s ARG 8 N -2.41 0.11 0.32 2.90 3.52 -0.79 -1.73 118.95 120.87 2dog s ARG 8 Ca 0.18 -0.05 -0.28 0.00 -0.13 0.00 0.00 55.73 55.45 2dog s ARG 8 Cb -0.04 0.05 -0.10 0.00 -1.56 0.00 0.00 34.95 33.30 2dog s ARG 8 CO 0.13 -0.02 1.21 -0.06 -0.81 0.00 0.00 175.30 175.75 2dog s PHE 9 N -0.26 3.25 0.00 5.12 0.08 -1.03 -2.05 117.98 123.10 2dog s PHE 9 Ca -0.03 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.57 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 -1.27 0.00 0.41 -0.10 0.00 0.00 175.22 174.26 2dog n GLY 10 N 0.92 -0.13 3.27 4.36 0.00 0.80 -3.40 105.19 111.03 2dog n GLY 10 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.43 1.71 -0.25 4.61 0.00 -1.26 -4.28 121.76 118.85 2dog s ALA 11 Ca 0.00 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 2dog s ALA 11 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2dog s ALA 11 CO 0.00 0.25 1.63 -1.25 0.00 0.00 0.00 175.76 176.40 2dog s PRO 12 N -2.26 3.70 1.25 0.00 0.04 -1.26 -1.53 135.00 134.94 2dog s PRO 12 Ca 0.08 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 2dog s PRO 12 Cb -0.08 -4.06 0.28 0.00 0.04 0.00 0.00 34.50 30.68 2dog s PRO 12 CO 0.04 -1.41 0.64 0.98 0.04 0.00 0.00 177.00 177.29 2dog n TYR 13 N 8.80 -3.00 -0.95 0.56 9.36 0.24 -4.89 117.16 127.27 2dog n TYR 13 Ca 0.19 -0.41 -0.37 0.00 3.32 0.00 0.00 57.90 60.63 2dog n TYR 13 Cb 0.46 -1.38 0.06 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 -5.16 -5.29 -0.10 2.98 0.00 -1.26 -4.49 120.51 107.19 2dog n ALA 14 Ca 0.09 -1.05 0.27 0.00 0.00 0.00 0.00 53.44 52.75 2dog n ALA 14 Cb 0.48 -1.08 0.69 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.15 0.00 -1.83 0.00 3.38 -1.94 -1.29 115.31 112.47 2dog h LEU 15 Ca -0.43 0.00 0.53 0.00 0.09 0.00 0.00 57.88 58.07 2dog h LEU 15 Cb 1.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 2dog h LEU 15 CO 0.25 0.00 1.35 0.29 0.09 0.00 0.00 178.44 180.42 2dog n LYS 16 N -3.81 0.00 0.00 1.13 5.02 -1.26 -3.90 118.16 115.34 2dog n LYS 16 Ca 0.16 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.48 2dog n LYS 16 Cb 0.98 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.87 1.28 3.85 0.72 0.00 -0.49 -4.56 105.19 104.12 2dog n GLY 17 Ca 0.41 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 1.95 -0.11 -0.02 0.00 -1.23 -4.56 107.32 101.34 2dog s GLY 18 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2dog s GLY 18 CO 0.00 0.39 -0.10 1.08 0.00 0.00 0.00 173.10 174.47 2dog s LEU 19 N -4.44 1.41 -0.50 0.66 1.43 -0.59 0.79 118.68 117.45 2dog s LEU 19 Ca 0.58 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 2dog s LEU 19 Cb -0.11 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 2dog s LEU 19 CO 0.38 -0.07 2.12 -0.13 0.23 0.00 0.00 176.35 178.89 2dog s ARG 20 N 1.39 2.51 -0.26 1.70 0.52 -0.58 -0.02 118.95 124.20 2dog s ARG 20 Ca -0.00 1.16 -0.07 0.00 -0.52 0.00 0.00 55.73 56.30 2dog s ARG 20 Cb -0.13 -4.45 -0.02 0.00 0.52 0.00 0.00 34.95 30.87 2dog s ARG 20 CO -0.06 -2.83 0.07 0.12 0.02 0.00 0.00 175.30 172.62 2dog s PHE 21 N 10.17 3.09 -0.54 -0.53 5.36 0.28 -0.14 117.98 135.68 2dog s PHE 21 Ca 0.85 -0.63 -0.08 0.00 -0.96 0.00 0.00 56.93 56.11 2dog s PHE 21 Cb -0.17 -2.24 0.14 0.00 -0.34 0.00 0.00 43.02 40.41 2dog s PHE 21 CO 0.26 -0.44 0.41 0.50 -1.46 0.00 0.00 175.22 174.48 2dog s ARG 22 N 1.57 2.59 0.26 10.12 3.52 -0.87 -3.63 118.95 132.51 2dog s ARG 22 Ca 0.05 -2.01 0.01 0.00 -0.13 0.00 0.00 55.73 53.65 2dog s ARG 22 Cb -0.16 -3.92 -0.03 0.00 -1.56 0.00 0.00 34.95 29.28 2dog s ARG 22 CO 0.03 -1.19 0.25 0.20 -0.81 0.00 0.00 175.30 173.77 2dog s GLY 23 N 2.15 1.67 0.79 8.12 0.00 -1.26 -1.88 107.32 116.91 2dog s GLY 23 Ca 0.10 -1.74 -0.16 0.00 0.00 0.00 0.00 44.72 42.92 2dog s GLY 23 CO -0.03 -1.32 0.22 1.18 0.00 0.00 0.00 173.10 173.16 2dog n GLU 24 N -0.43 0.09 0.10 2.90 1.02 0.08 -4.84 120.64 119.56 2dog n GLU 24 Ca 0.03 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 2dog n GLU 24 Cb 0.64 -1.61 0.45 0.00 -0.02 0.00 0.00 31.44 30.89 2dog n GLU 24 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2dog n PRO 25 N -0.19 0.15 0.16 3.49 -0.04 -1.26 -2.57 135.00 134.74 2dog n PRO 25 Ca 0.07 0.39 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 2dog n PRO 25 Cb 0.51 -1.78 0.57 0.00 -0.04 0.00 0.00 33.50 32.76 2dog n PRO 25 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2dog h VAL 26 N 0.00 0.00 0.00 0.52 3.04 -1.99 -2.36 116.25 115.47 2dog h VAL 26 Ca 0.00 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 2dog h VAL 26 Cb 0.33 0.88 -0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2dog h VAL 26 CO 0.00 0.00 -0.08 1.62 -1.01 0.00 0.00 177.57 178.10 2dog h VAL 27 N 0.00 0.33 0.00 1.51 3.04 -1.84 -2.02 116.25 117.27 2dog h VAL 27 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2dog h VAL 27 Cb 0.26 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 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 -3.40 0.00 -0.00 3.16 4.77 -0.89 -1.10 117.00 119.55 2dog n LEU 28 Ca -0.01 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.28 2dog n LEU 28 Cb 0.23 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2dog n LEU 28 CO 0.28 -0.20 -0.19 1.41 -1.33 0.00 0.00 177.39 177.36 2dog n HIS 29 N -1.27 0.00 -1.56 -1.77 8.25 -0.76 -5.02 115.22 113.08 2dog n HIS 29 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 2dog n HIS 29 Cb 0.06 -0.06 0.14 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.77 2.02 0.00 2.41 1.43 -0.26 -4.96 118.68 116.56 2dog s LEU 30 Ca 0.02 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 2dog s LEU 30 Cb 0.07 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.11 2dog s LEU 30 CO 0.38 -2.60 0.00 -0.62 0.23 0.00 0.00 176.35 173.74 2dog n GLU 31 N -3.79 0.00 -4.49 1.70 1.02 -1.26 -5.06 120.64 108.76 2dog n GLU 31 Ca 0.08 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.96 2dog n GLU 31 Cb 0.59 -0.72 -0.10 0.00 -0.02 0.00 0.00 31.44 31.19 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 -1.68 1.84 0.21 3.49 1.70 -1.26 -2.13 118.95 121.13 2dog s ARG 32 Ca 0.00 -1.87 0.01 0.00 -0.47 0.00 0.00 55.73 53.40 2dog s ARG 32 Cb 0.00 -1.76 -0.05 0.00 -0.57 0.00 0.00 34.95 32.57 2dog s ARG 32 CO 0.00 0.18 0.08 0.14 -1.08 0.00 0.00 175.30 174.62 2dog s VAL 33 N -2.57 0.40 -0.16 4.99 -7.23 0.27 -4.85 120.40 111.26 2dog s VAL 33 Ca 0.32 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 2dog s VAL 33 Cb 0.00 -2.43 0.03 0.00 0.56 0.00 0.00 36.38 34.54 2dog s VAL 33 CO 0.17 -0.15 -0.14 -0.47 -0.31 0.00 0.00 175.10 174.20 2dog s TYR 34 N -3.86 2.26 -0.82 2.82 5.04 -1.05 -0.45 117.35 121.29 2dog s TYR 34 Ca 0.34 -1.31 -0.23 0.00 -2.44 0.00 0.00 57.07 53.42 2dog s TYR 34 Cb 0.07 -1.63 0.07 0.00 0.35 0.00 0.00 41.96 40.82 2dog s TYR 34 CO 0.10 -0.69 1.21 0.08 -1.34 0.00 0.00 175.55 174.90 2dog s VAL 35 N 1.46 4.13 -0.52 3.14 1.01 -0.59 -1.97 120.40 127.05 2dog s VAL 35 Ca 0.04 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 2dog s VAL 35 Cb -0.13 -4.86 -0.08 0.00 0.00 0.00 0.00 36.38 31.30 2dog s VAL 35 CO -0.11 -1.70 2.43 1.21 0.00 0.00 0.00 175.10 176.93 2dog n GLU 36 N 8.26 0.98 0.00 2.72 4.07 -0.64 -2.09 120.64 133.94 2dog n GLU 36 Ca 0.12 -0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 2dog n GLU 36 Cb 0.48 -3.39 0.00 0.00 -0.06 0.00 0.00 31.44 28.47 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 6.06 4.14 0.05 8.31 0.00 -1.26 -4.31 105.19 118.18 2dog n GLY 37 Ca 0.39 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.89 -5.16 115.22 115.26 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 3.41 0.96 3.73 -1.41 0.00 -1.18 -5.04 105.19 105.66 2dog n GLY 39 Ca 0.00 -1.22 -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 -2.47 3.61 0.38 1.61 0.52 -1.26 -1.53 118.94 119.79 2dog s TRP 40 Ca 0.16 1.60 0.07 0.00 0.02 0.00 0.00 56.10 57.95 2dog s TRP 40 Cb -0.04 -3.26 -0.07 0.00 -1.15 0.00 0.00 33.47 28.95 2dog s TRP 40 CO 0.10 -0.55 -0.01 1.03 0.02 0.00 0.00 176.95 177.54 2dog s ARG 41 N -0.10 1.88 0.20 4.98 1.81 0.40 -4.86 118.95 123.26 2dog s ARG 41 Ca 0.50 -2.04 0.10 0.00 -1.72 0.00 0.00 55.73 52.57 2dog s ARG 41 Cb -0.28 -1.54 -0.04 0.00 -0.45 0.00 0.00 34.95 32.64 2dog s ARG 41 CO 0.33 -0.03 -0.14 0.00 -0.68 0.00 0.00 175.30 174.79 2dog s ALA 42 N -2.78 2.83 -0.11 2.13 0.00 -1.26 -0.56 121.76 122.01 2dog s ALA 42 Ca 0.34 -1.58 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 2dog s ALA 42 Cb 0.08 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 2dog s ALA 42 CO 0.17 0.42 0.32 0.42 0.00 0.00 0.00 175.76 177.09 2dog s ILE 43 N -1.84 5.25 -0.19 0.00 1.01 -0.90 0.19 121.20 124.72 2dog s ILE 43 Ca 0.25 0.61 -0.07 0.00 0.00 0.00 0.00 60.65 61.44 2dog s ILE 43 Cb -0.08 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 2dog s ILE 43 CO 0.14 0.47 -0.23 -0.62 0.00 0.00 0.00 174.94 174.70 2dog n GLU 44 N 2.88 0.42 -3.65 2.79 -0.58 -0.17 -4.87 120.64 117.46 2dog n GLU 44 Ca -0.13 0.16 -0.05 0.00 -0.42 0.00 0.00 57.16 56.72 2dog n GLU 44 Cb 0.52 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 30.09 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 -6.47 -0.94 0.07 1.62 2.15 -1.24 -5.03 116.67 106.83 2dog s ASP 45 Ca -0.26 1.45 0.01 0.00 0.43 0.00 0.00 52.55 54.18 2dog s ASP 45 Cb 0.09 1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 44.41 2dog s ASP 45 CO 0.36 -0.23 -0.05 -1.48 -0.17 0.00 0.00 175.17 173.60 2dog s LEU 46 N 2.25 2.44 -0.24 -1.34 0.05 -1.26 -1.63 118.68 118.95 2dog s LEU 46 Ca -0.08 -0.89 -0.27 0.00 0.05 0.00 0.00 54.13 52.95 2dog s LEU 46 Cb -0.09 0.02 0.12 0.00 -2.05 0.00 0.00 46.19 44.20 2dog s LEU 46 CO -0.18 -0.46 1.00 -0.72 -0.55 0.00 0.00 176.35 175.44 2dog s TYR 47 N -3.19 -0.46 -0.75 3.48 -0.85 -1.18 -5.01 117.35 109.38 2dog s TYR 47 Ca 0.04 1.03 -0.27 0.00 -0.52 0.00 0.00 57.07 57.36 2dog s TYR 47 Cb 0.03 0.39 0.03 0.00 0.38 0.00 0.00 41.96 42.78 2dog s TYR 47 CO -0.05 -0.28 1.34 -0.98 -1.52 0.00 0.00 175.55 174.05 2dog s ARG 48 N -0.21 3.18 -0.33 -3.49 1.70 -1.26 -2.17 118.95 116.37 2dog s ARG 48 Ca 0.01 -0.24 -0.27 0.00 -0.47 0.00 0.00 55.73 54.75 2dog s ARG 48 Cb -0.03 -4.29 0.01 0.00 -0.57 0.00 0.00 34.95 30.07 2dog s ARG 48 CO -0.03 -2.20 1.00 0.08 -1.08 0.00 0.00 175.30 173.06 2dog s VAL 49 N 5.95 4.57 0.00 4.99 1.01 0.27 -4.81 120.40 132.38 2dog s VAL 49 Ca 0.38 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.90 2dog s VAL 49 Cb -0.08 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2dog s VAL 49 CO 0.13 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.39 2dog n GLY 50 N 4.04 0.87 1.28 4.51 0.00 -1.26 -0.09 105.19 114.53 2dog n GLY 50 Ca 0.10 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.65 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 2.21 -3.96 1.61 1.02 -1.26 -5.02 120.64 115.24 2dog n GLU 51 Ca 0.00 -3.45 -0.11 0.00 -0.02 0.00 0.00 57.16 53.58 2dog n GLU 51 Cb 0.00 -1.90 -0.02 0.00 -0.02 0.00 0.00 31.44 29.51 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 -3.37 1.99 -0.01 3.49 2.02 0.87 -5.16 118.70 118.53 2dog s GLU 52 Ca 0.46 -1.53 0.04 0.00 0.02 0.00 0.00 54.97 53.95 2dog s GLU 52 Cb 0.40 0.53 -0.01 0.00 0.10 0.00 0.00 34.13 35.15 2dog s GLU 52 CO -0.01 -0.88 -0.11 -0.51 0.02 0.00 0.00 175.26 173.77 2dog s LEU 53 N -3.13 2.02 -0.29 1.80 1.43 -1.24 0.96 118.68 120.23 2dog s LEU 53 Ca 0.23 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2dog s LEU 53 Cb -0.03 -0.59 0.08 0.00 0.03 0.00 0.00 46.19 45.69 2dog s LEU 53 CO 0.15 0.14 0.02 -0.69 0.23 0.00 0.00 176.35 176.20 2dog s VAL 54 N -0.27 1.62 -0.07 -1.59 1.01 -0.92 0.10 120.40 120.28 2dog s VAL 54 Ca 0.04 -1.66 -0.15 0.00 0.00 0.00 0.00 61.98 60.22 2dog s VAL 54 Cb -0.04 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2dog s VAL 54 CO -0.00 -0.42 0.39 -0.69 0.00 0.00 0.00 175.10 174.37 2dog s VAL 55 N 1.28 5.15 -0.46 2.92 1.01 0.97 -3.12 120.40 128.15 2dog s VAL 55 Ca 0.04 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 2dog s VAL 55 Cb -0.18 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.58 2dog s VAL 55 CO -0.12 0.47 0.34 -1.00 0.00 0.00 0.00 175.10 174.79 2dog s HIS 56 N -0.30 3.33 0.57 5.22 3.76 -0.64 -1.54 115.29 125.69 2dog s HIS 56 Ca 0.22 -1.44 -0.18 0.00 -0.15 0.00 0.00 55.06 53.51 2dog s HIS 56 Cb -0.15 -3.23 -0.05 0.00 1.11 0.00 0.00 32.58 30.26 2dog s HIS 56 CO 0.10 -0.89 1.12 -0.51 -0.85 0.00 0.00 174.74 173.71 2dog s LEU 57 N 1.48 3.67 0.01 0.89 1.43 -1.26 -1.00 118.68 123.90 2dog s LEU 57 Ca 0.04 2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 54.97 2dog s LEU 57 Cb -0.25 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.33 2dog s LEU 57 CO 0.03 -1.30 1.59 0.00 0.23 0.00 0.00 176.35 176.90 2dog s ALA 58 N -1.91 3.64 0.00 4.21 0.00 0.13 -2.95 121.76 124.88 2dog s ALA 58 Ca 0.71 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2dog s ALA 58 Cb -0.23 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2dog s ALA 58 CO 0.30 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.30 2dog n GLY 59 N 3.96 3.11 3.55 0.00 0.00 -1.26 -4.78 105.19 109.77 2dog n GLY 59 Ca 0.16 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.17 3.09 -0.10 1.61 1.01 -1.15 -4.66 120.40 120.04 2dog s VAL 60 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2dog s VAL 60 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2dog s VAL 60 CO 0.00 -0.23 0.10 0.35 0.00 0.00 0.00 175.10 175.32 2dog n THR 61 N 7.92 0.00 -4.33 3.92 -2.24 -1.26 -4.62 114.28 113.67 2dog n THR 61 Ca 0.35 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 2dog n THR 61 Cb 0.53 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.13 2.81 0.27 3.42 1.47 -1.26 -3.85 116.67 118.41 2dog s ASP 62 Ca 0.01 -0.73 0.00 0.00 1.18 0.00 0.00 52.55 53.01 2dog s ASP 62 Cb 0.01 -0.17 0.61 0.00 -0.34 0.00 0.00 42.92 43.04 2dog s ASP 62 CO 0.07 0.09 1.70 -0.09 0.68 0.00 0.00 175.17 177.63 2dog h ARG 63 N 3.91 0.39 0.12 2.11 2.43 -1.87 -2.33 114.38 119.14 2dog h ARG 63 Ca -0.47 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2dog h ARG 63 Cb 1.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2dog h ARG 63 CO 0.41 0.26 -0.25 1.15 -1.51 0.00 0.00 179.97 180.02 2dog h THR 64 N 0.40 0.00 -0.83 0.20 2.02 -1.96 0.20 112.91 112.95 2dog h THR 64 Ca 0.50 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.87 2dog h THR 64 Cb 0.88 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.14 2dog h THR 64 CO -0.49 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.32 2dog h LEU 65 N -0.40 -0.41 0.25 2.58 3.38 -1.86 0.13 115.31 118.97 2dog h LEU 65 Ca -0.01 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2dog h LEU 65 Cb 0.39 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2dog h LEU 65 CO -0.11 -0.23 -0.13 0.00 0.09 0.00 0.00 178.44 178.06 2dog h ALA 66 N 1.79 -0.36 -1.04 1.53 0.00 -0.95 -2.46 119.26 117.77 2dog h ALA 66 Ca 0.46 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.57 2dog h ALA 66 Cb 0.84 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 2dog h ALA 66 CO -0.75 -0.70 0.65 0.93 0.00 0.00 0.00 179.25 179.38 2dog h GLU 67 N -0.36 0.42 -0.06 0.00 5.08 0.14 0.71 114.58 120.51 2dog h GLU 67 Ca -0.03 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2dog h GLU 67 Cb 0.29 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2dog h GLU 67 CO 0.04 0.28 -0.01 0.00 -1.00 0.00 0.00 179.01 178.32 2dog h ALA 68 N 1.66 1.88 -0.60 3.43 0.00 -0.84 -1.40 119.26 123.39 2dog h ALA 68 Ca 0.63 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 55.27 2dog h ALA 68 Cb 1.49 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 2dog h ALA 68 CO -0.37 0.10 0.20 1.28 0.00 0.00 0.00 179.25 180.45 2dog n LEU 69 N -4.48 5.30 -4.62 0.00 4.77 0.24 -4.95 117.00 113.27 2dog n LEU 69 Ca -0.02 -3.42 -0.35 0.00 -0.03 0.00 0.00 56.01 52.19 2dog n LEU 69 Cb 0.13 -0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 40.42 2dog n LEU 69 CO 0.35 0.96 -0.23 -0.69 -1.33 0.00 0.00 177.39 176.44 2dog s VAL 70 N -3.10 4.89 0.00 4.08 1.01 -0.53 -4.37 120.40 122.38 2dog s VAL 70 Ca 0.50 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2dog s VAL 70 Cb 0.42 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2dog s VAL 70 CO 0.08 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2dog n GLY 71 N 3.94 1.99 3.67 4.51 0.00 -1.22 -5.02 105.19 113.06 2dog n GLY 71 Ca -0.16 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 1.36 0.03 0.99 1.43 -1.26 -4.75 118.68 116.48 2dog s LEU 72 Ca 0.00 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 2dog s LEU 72 Cb 0.00 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2dog s LEU 72 CO 0.00 -3.39 0.01 0.00 0.23 0.00 0.00 176.35 173.20 2dog s ARG 73 N -5.15 2.73 -0.06 1.70 3.03 -1.26 -2.46 118.95 117.47 2dog s ARG 73 Ca 0.67 -0.68 -0.04 0.00 2.03 0.00 0.00 55.73 57.71 2dog s ARG 73 Cb -0.15 -2.64 -0.04 0.00 -1.03 0.00 0.00 34.95 31.09 2dog s ARG 73 CO 0.57 0.60 0.11 0.08 -1.13 0.00 0.00 175.30 175.52 2dog s VAL 74 N -1.17 5.10 0.26 4.99 1.01 -0.71 -1.63 120.40 128.25 2dog s VAL 74 Ca 0.22 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.22 2dog s VAL 74 Cb -0.12 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2dog s VAL 74 CO 0.13 0.49 -0.18 -0.31 0.00 0.00 0.00 175.10 175.24 2dog s TYR 75 N -1.10 2.36 0.29 5.22 1.51 -0.83 -3.26 117.35 121.53 2dog s TYR 75 Ca 0.19 -0.32 0.09 0.00 -1.01 0.00 0.00 57.07 56.02 2dog s TYR 75 Cb -0.12 -1.06 -0.06 0.00 -0.11 0.00 0.00 41.96 40.62 2dog s TYR 75 CO 0.09 0.66 -0.11 0.00 -1.11 0.00 0.00 175.55 175.07 2dog s ALA 76 N -2.30 2.55 -0.07 3.71 0.00 0.22 -2.52 121.76 123.35 2dog s ALA 76 Ca 0.28 -1.91 0.02 0.00 0.00 0.00 0.00 51.96 50.35 2dog s ALA 76 Cb -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2dog s ALA 76 CO 0.15 0.07 -0.12 -2.00 0.00 0.00 0.00 175.76 173.86 2dog s GLU 77 N -3.63 2.79 0.00 0.00 -6.30 -1.26 -2.05 118.70 108.24 2dog s GLU 77 Ca 0.29 -0.65 0.12 0.00 -2.50 0.00 0.00 54.97 52.23 2dog s GLU 77 Cb 0.01 -2.50 0.72 0.00 0.00 0.00 0.00 34.13 32.36 2dog s GLU 77 CO 0.13 0.53 1.26 0.28 0.02 0.00 0.00 175.26 177.48 2dog n VAL 78 N 2.58 0.00 -0.02 3.70 0.31 -1.26 -2.63 118.33 121.02 2dog n VAL 78 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.00 2dog n VAL 78 Cb 0.52 -0.41 -0.14 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.76 1.21 -0.02 3.52 0.00 -1.26 -4.34 120.51 118.86 2dog n ALA 79 Ca 0.09 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 2dog n ALA 79 Cb 0.04 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 2dog n ALA 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dog n ASP 80 N -3.24 1.04 -4.65 0.00 2.03 -1.12 -4.94 116.55 105.67 2dog n ASP 80 Ca -0.26 0.38 -0.35 0.00 0.52 0.00 0.00 54.79 55.07 2dog n ASP 80 Cb 1.05 -0.16 0.09 0.00 -0.72 0.00 0.00 41.12 41.38 2dog n ASP 80 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dog n LEU 81 N -3.10 4.05 -4.68 -2.67 4.77 -1.08 -4.94 117.00 109.35 2dog n LEU 81 Ca -0.19 0.68 -0.29 0.00 -0.03 0.00 0.00 56.01 56.17 2dog n LEU 81 Cb 1.05 -1.45 0.17 0.00 -2.33 0.00 0.00 43.42 40.87 2dog n LEU 81 CO 0.45 -1.82 0.64 -2.16 -1.33 0.00 0.00 177.39 173.17 2dog s PRO 82 N -3.48 0.56 0.95 3.23 0.04 -1.26 -4.99 135.00 130.05 2dog s PRO 82 Ca 0.75 0.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 2dog s PRO 82 Cb -0.34 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.61 2dog s PRO 82 CO 0.49 -2.66 1.09 -1.25 0.04 0.00 0.00 177.00 174.71 2dog s PRO 83 N -4.96 0.85 0.03 0.56 0.04 -1.26 -4.99 135.00 125.28 2dog s PRO 83 Ca 0.65 0.67 0.21 0.00 0.04 0.00 0.00 61.00 62.57 2dog s PRO 83 Cb -0.18 -1.77 -0.21 0.00 0.04 0.00 0.00 34.50 32.37 2dog s PRO 83 CO 0.57 -2.48 0.64 1.47 0.04 0.00 0.00 177.00 177.24 2dog n LEU 84 N -4.03 0.34 0.00 -3.56 -0.00 -1.26 -5.29 117.00 103.20 2dog n LEU 84 Ca 0.06 0.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 2dog n LEU 84 Cb 0.56 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2dog n LEU 84 CO 0.56 0.01 0.20 1.21 -0.00 0.00 0.00 177.39 179.38