#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3o n GLY 15 N 0.00 1.32 3.62 0.23 0.00 -1.26 -5.08 105.19 104.01 1u3o n GLY 15 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1u3o n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u3o s GLY 16 N 0.00 0.43 -0.03 -0.02 0.00 -1.26 -5.16 107.32 101.28 1u3o s GLY 16 Ca 0.00 3.63 0.02 0.00 0.00 0.00 0.00 44.72 48.37 1u3o s GLY 16 CO 0.00 2.76 -0.06 0.00 0.00 0.00 0.00 173.10 175.80 1u3o s GLU 18 N 0.42 1.01 0.03 0.00 2.12 -0.95 -4.95 118.70 116.38 1u3o s GLU 18 Ca -0.06 -0.95 -0.30 0.00 0.36 0.00 0.00 54.97 54.02 1u3o s GLU 18 Cb -0.10 -1.10 -0.04 0.00 0.26 0.00 0.00 34.13 33.16 1u3o s GLU 18 CO 0.00 0.26 1.04 -0.51 -0.54 0.00 0.00 175.26 175.51 1u3o s LEU 19 N -1.54 4.38 0.03 2.70 1.43 -1.26 0.16 118.68 124.59 1u3o s LEU 19 Ca 0.02 1.78 -0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1u3o s LEU 19 Cb -0.09 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1u3o s LEU 19 CO 0.02 -0.30 -0.03 0.28 0.23 0.00 0.00 176.35 176.56 1u3o s THR 20 N 0.90 0.14 -0.08 5.49 -1.32 -0.31 -4.82 115.64 115.65 1u3o s THR 20 Ca 0.53 -1.17 0.04 0.00 -1.21 0.00 0.00 61.69 59.88 1u3o s THR 20 Cb -0.24 -0.64 -0.01 0.00 -1.51 0.00 0.00 72.50 70.10 1u3o s THR 20 CO 0.29 -0.65 -0.23 0.68 -2.21 0.00 0.00 174.62 172.51 1u3o s VAL 21 N -2.20 2.23 0.04 5.08 -7.23 -1.26 -0.20 120.40 116.87 1u3o s VAL 21 Ca -0.09 -0.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.79 1u3o s VAL 21 Cb -0.05 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.99 1u3o s VAL 21 CO -0.04 0.56 1.27 0.68 -0.31 0.00 0.00 175.10 177.26 1u3o s VAL 22 N 0.07 3.87 -0.19 1.32 -7.23 -1.13 -0.00 120.40 117.11 1u3o s VAL 22 Ca -0.10 1.32 0.18 0.00 -1.81 0.00 0.00 61.98 61.57 1u3o s VAL 22 Cb -0.16 -3.84 0.15 0.00 0.56 0.00 0.00 36.38 33.09 1u3o s VAL 22 CO 0.06 0.07 1.53 -0.07 -0.31 0.00 0.00 175.10 176.38 1u3o h LEU 23 N 7.26 0.00 -7.82 1.32 3.38 -1.48 -1.58 115.31 116.39 1u3o h LEU 23 Ca -0.40 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.42 1u3o h LEU 23 Cb 1.20 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 1u3o h LEU 23 CO 0.85 0.35 -0.54 0.00 0.09 0.00 0.00 178.44 179.19 1u3o s GLN 24 N -3.11 0.47 0.49 1.13 -2.07 -1.25 -4.73 119.66 110.58 1u3o s GLN 24 Ca 0.04 -0.50 -0.22 0.00 -1.82 0.00 0.00 55.36 52.86 1u3o s GLN 24 Cb 0.07 0.19 -0.07 0.00 -1.09 0.00 0.00 33.01 32.12 1u3o s GLN 24 CO 0.71 -0.11 1.20 -0.51 -1.32 0.00 0.00 175.29 175.26 1u3o s ASP 25 N -1.53 5.91 0.03 12.60 1.01 -1.26 -4.12 116.67 129.31 1u3o s ASP 25 Ca -0.13 2.38 -0.07 0.00 0.71 0.00 0.00 52.55 55.44 1u3o s ASP 25 Cb -0.07 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 1u3o s ASP 25 CO 0.00 -1.10 0.13 0.12 0.21 0.00 0.00 175.17 174.53 1u3o s PHE 26 N -1.52 0.13 -0.03 4.23 5.36 0.11 -4.90 117.98 121.35 1u3o s PHE 26 Ca 0.67 -0.36 0.05 0.00 -0.96 0.00 0.00 56.93 56.33 1u3o s PHE 26 Cb -0.30 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.28 1u3o s PHE 26 CO 0.36 -0.36 -0.19 -1.54 -1.46 0.00 0.00 175.22 172.03 1u3o s SER 27 N -1.94 2.27 0.75 6.13 1.04 -1.26 0.13 113.70 120.82 1u3o s SER 27 Ca -0.07 -0.36 -0.07 0.00 0.48 0.00 0.00 55.95 55.93 1u3o s SER 27 Cb -0.03 -0.46 0.10 0.00 0.10 0.00 0.00 66.02 65.73 1u3o s SER 27 CO -0.03 0.20 0.23 0.00 0.98 0.00 0.00 173.24 174.62 1u3o n ALA 28 N 2.89 -1.41 0.00 5.32 0.00 -1.05 -4.82 120.51 121.44 1u3o n ALA 28 Ca -0.17 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1u3o n ALA 28 Cb 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1u3o n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u3o n ALA 29 N -3.06 0.00 -2.25 0.00 0.00 -1.26 -4.91 120.51 109.03 1u3o n ALA 29 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1u3o n ALA 29 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.63 1u3o n ALA 29 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1u3o s HIS 30 N 0.00 1.48 0.06 0.00 3.76 -1.26 -5.00 115.29 114.33 1u3o s HIS 30 Ca 0.00 -0.81 -0.17 0.00 -0.15 0.00 0.00 55.06 53.93 1u3o s HIS 30 Cb 0.00 -2.03 -0.07 0.00 1.11 0.00 0.00 32.58 31.59 1u3o s HIS 30 CO 0.00 -0.79 1.28 1.03 -0.85 0.00 0.00 174.74 175.41 1u3o h SER 31 N 0.49 -0.88 -0.61 1.40 0.87 -2.01 -2.31 113.55 110.50 1u3o h SER 31 Ca -0.33 0.10 -0.39 0.00 -1.23 0.00 0.00 61.79 59.94 1u3o h SER 31 Cb 1.30 0.34 -0.18 0.00 -0.44 0.00 0.00 62.40 63.42 1u3o h SER 31 CO 0.50 -0.25 0.51 -1.54 -0.53 0.00 0.00 176.83 175.52 1u3o n SER 32 N -4.02 6.05 -4.85 6.23 3.41 -1.26 -4.93 113.62 114.25 1u3o n SER 32 Ca -0.03 -3.19 -0.25 0.00 -0.26 0.00 0.00 58.87 55.14 1u3o n SER 32 Cb 0.19 -0.96 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 1u3o n SER 32 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u3o s GLU 33 N -2.26 3.06 0.19 4.33 2.02 -0.87 -2.36 118.70 122.81 1u3o s GLU 33 Ca 0.39 -0.84 -0.15 0.00 0.02 0.00 0.00 54.97 54.39 1u3o s GLU 33 Cb 0.31 -2.72 0.02 0.00 0.10 0.00 0.00 34.13 31.83 1u3o s GLU 33 CO 0.01 0.47 0.45 -0.48 0.02 0.00 0.00 175.26 175.73 1u3o s LEU 34 N -3.33 0.35 -0.18 1.80 0.05 -1.25 -4.70 118.68 111.41 1u3o s LEU 34 Ca 0.32 -0.62 -0.20 0.00 0.05 0.00 0.00 54.13 53.68 1u3o s LEU 34 Cb -0.10 1.85 -0.03 0.00 -2.05 0.00 0.00 46.19 45.86 1u3o s LEU 34 CO 0.25 -1.01 0.57 -0.94 -0.55 0.00 0.00 176.35 174.67 1u3o s SER 35 N -2.91 6.65 0.29 1.48 1.04 -1.26 -2.52 113.70 116.48 1u3o s SER 35 Ca 0.12 0.79 0.08 0.00 0.48 0.00 0.00 55.95 57.41 1u3o s SER 35 Cb 0.00 -2.32 -0.06 0.00 0.10 0.00 0.00 66.02 63.74 1u3o s SER 35 CO -0.01 -0.20 -0.08 0.27 0.98 0.00 0.00 173.24 174.20 1u3o s ILE 36 N 1.61 1.83 0.05 -1.02 -0.00 0.34 -4.95 121.20 119.06 1u3o s ILE 36 Ca 0.27 -2.17 0.05 0.00 -0.00 0.00 0.00 60.65 58.80 1u3o s ILE 36 Cb -0.16 -2.45 -0.02 0.00 -0.00 0.00 0.00 42.46 39.83 1u3o s ILE 36 CO 0.10 -0.31 -0.13 -1.10 -0.00 0.00 0.00 174.94 173.51 1u3o s GLN 37 N -3.68 0.85 0.06 0.37 -0.21 -1.26 0.06 119.66 115.84 1u3o s GLN 37 Ca 0.30 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 54.59 1u3o s GLN 37 Cb 0.03 -0.83 -0.09 0.00 1.00 0.00 0.00 33.01 33.11 1u3o s GLN 37 CO 0.13 0.20 1.95 0.54 -2.12 0.00 0.00 175.29 175.99 1u3o s VAL 38 N -0.97 2.90 0.00 1.09 0.11 -1.26 -2.70 120.40 119.57 1u3o s VAL 38 Ca -0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1u3o s VAL 38 Cb -0.08 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1u3o s VAL 38 CO 0.01 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1u3o n GLY 39 N 4.50 1.88 3.87 6.54 0.00 -0.59 -4.93 105.19 116.46 1u3o n GLY 39 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1u3o n GLY 39 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u3o s GLN 40 N -0.11 1.99 -0.11 1.61 -2.07 -1.10 -4.89 119.66 115.00 1u3o s GLN 40 Ca 0.00 0.25 0.03 0.00 -1.82 0.00 0.00 55.36 53.82 1u3o s GLN 40 Cb 0.00 -1.94 0.01 0.00 -1.09 0.00 0.00 33.01 29.98 1u3o s GLN 40 CO 0.00 -1.60 -0.21 0.99 -1.32 0.00 0.00 175.29 173.14 1u3o s THR 41 N -3.45 1.92 -0.08 3.63 2.01 -1.26 -2.83 115.64 115.57 1u3o s THR 41 Ca 0.61 -0.92 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 1u3o s THR 41 Cb -0.12 -1.68 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1u3o s THR 41 CO 0.51 0.53 0.24 -0.69 -0.69 0.00 0.00 174.62 174.52 1u3o s VAL 42 N 0.57 0.01 -0.11 3.82 1.01 0.72 -4.97 120.40 121.44 1u3o s VAL 42 Ca -0.14 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1u3o s VAL 42 Cb -0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1u3o s VAL 42 CO 0.04 -0.03 1.09 -1.83 0.00 0.00 0.00 175.10 174.38 1u3o s GLU 43 N 0.00 4.37 0.50 2.72 -1.05 0.68 -1.16 118.70 124.76 1u3o s GLU 43 Ca -0.01 1.50 -0.21 0.00 -0.15 0.00 0.00 54.97 56.09 1u3o s GLU 43 Cb -0.02 -3.57 -0.07 0.00 -0.44 0.00 0.00 34.13 30.03 1u3o s GLU 43 CO 0.01 -0.42 1.16 -0.48 0.95 0.00 0.00 175.26 176.47 1u3o s LEU 44 N 2.30 3.89 -0.08 1.83 0.05 0.43 0.14 118.68 127.25 1u3o s LEU 44 Ca 0.51 2.27 -0.12 0.00 0.05 0.00 0.00 54.13 56.84 1u3o s LEU 44 Cb -0.20 -4.39 -0.08 0.00 -2.05 0.00 0.00 46.19 39.46 1u3o s LEU 44 CO 0.18 -1.08 0.43 -0.07 -0.55 0.00 0.00 176.35 175.26 1u3o h LEU 45 N 1.64 -0.16 0.00 1.48 3.38 -1.84 -2.53 115.31 117.29 1u3o h LEU 45 Ca -0.50 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1u3o h LEU 45 Cb 1.26 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1u3o h LEU 45 CO 0.59 0.39 0.00 -1.84 0.09 0.00 0.00 178.44 177.67 1u3o n GLU 46 N -4.88 2.72 -4.46 1.13 0.28 -1.26 -4.36 120.64 109.81 1u3o n GLU 46 Ca -0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.74 1u3o n GLU 46 Cb 0.17 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.93 1u3o n GLU 46 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1u3o s ARG 47 N 1.58 1.66 -0.16 3.44 0.52 -1.26 -4.68 118.95 120.05 1u3o s ARG 47 Ca 0.00 -1.92 0.03 0.00 -0.52 0.00 0.00 55.73 53.32 1u3o s ARG 47 Cb 0.00 -0.92 0.30 0.00 0.52 0.00 0.00 34.95 34.85 1u3o s ARG 47 CO 0.00 -0.17 1.28 -0.35 0.02 0.00 0.00 175.30 176.08 1u3o n PRO 48 N -0.69 1.86 -0.05 3.54 -0.04 -1.26 -4.31 135.00 134.05 1u3o n PRO 48 Ca -0.03 -1.29 -0.12 0.00 -0.04 0.00 0.00 63.50 62.02 1u3o n PRO 48 Cb 0.66 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1u3o n PRO 48 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1u3o h SER 49 N 0.80 0.32 0.12 3.54 0.87 -1.96 -3.14 113.55 114.09 1u3o h SER 49 Ca 0.19 -0.40 -0.24 0.00 -1.23 0.00 0.00 61.79 60.11 1u3o h SER 49 Cb 1.60 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 63.48 1u3o h SER 49 CO 0.39 0.65 -0.96 1.05 -0.53 0.00 0.00 176.83 177.43 1u3o h GLU 50 N -0.01 0.59 -4.90 2.24 4.11 -2.01 -3.42 114.58 111.17 1u3o h GLU 50 Ca 0.04 -0.61 -0.64 0.00 0.07 0.00 0.00 59.36 58.21 1u3o h GLU 50 Cb 0.52 0.17 -0.35 0.00 0.50 0.00 0.00 28.75 29.59 1u3o h GLU 50 CO 0.02 1.22 -0.85 1.03 0.07 0.00 0.00 179.01 180.50 1u3o s ARG 51 N -3.36 2.70 -0.40 1.06 3.00 -1.20 -5.10 118.95 115.64 1u3o s ARG 51 Ca -0.08 -0.72 -0.20 0.00 0.00 0.00 0.00 55.73 54.73 1u3o s ARG 51 Cb 0.08 -2.37 0.01 0.00 0.00 0.00 0.00 34.95 32.67 1u3o s ARG 51 CO 0.90 -0.21 0.63 -1.25 0.00 0.00 0.00 175.30 175.36 1u3o s PRO 52 N 1.36 3.46 0.00 3.54 0.04 -1.19 -3.91 135.00 138.29 1u3o s PRO 52 Ca 0.05 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.88 1u3o s PRO 52 Cb -0.13 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1u3o s PRO 52 CO -0.12 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1u3o n GLY 53 N 4.88 1.04 3.66 0.56 0.00 -1.26 -5.06 105.19 109.02 1u3o n GLY 53 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1u3o n GLY 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u3o s TRP 54 N -2.00 2.64 0.06 1.61 1.48 -1.25 0.16 118.94 121.64 1u3o s TRP 54 Ca 0.00 -0.34 -0.26 0.00 -1.06 0.00 0.00 56.10 54.44 1u3o s TRP 54 Cb 0.00 -1.43 0.07 0.00 -1.16 0.00 0.00 33.47 30.95 1u3o s TRP 54 CO 0.00 0.49 0.62 0.00 -4.06 0.00 0.00 176.95 173.99 1u3o s LEU 56 N -2.03 3.33 -0.05 0.00 1.02 -1.26 -1.39 118.68 118.30 1u3o s LEU 56 Ca -0.05 -0.54 -0.01 0.00 0.02 0.00 0.00 54.13 53.55 1u3o s LEU 56 Cb -0.01 -1.87 0.03 0.00 0.02 0.00 0.00 46.19 44.37 1u3o s LEU 56 CO -0.02 0.00 0.02 0.68 0.02 0.00 0.00 176.35 177.05 1u3o s VAL 57 N -2.23 0.15 0.02 -1.59 -7.23 -0.77 -3.67 120.40 105.08 1u3o s VAL 57 Ca 0.31 0.24 0.07 0.00 -1.81 0.00 0.00 61.98 60.79 1u3o s VAL 57 Cb -0.07 -0.33 -0.02 0.00 0.56 0.00 0.00 36.38 36.52 1u3o s VAL 57 CO 0.21 0.21 -0.21 -0.60 -0.31 0.00 0.00 175.10 174.39 1u3o s ARG 58 N 1.87 1.56 -0.13 4.82 3.52 0.38 0.24 118.95 131.20 1u3o s ARG 58 Ca 0.02 -0.87 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 1u3o s ARG 58 Cb -0.12 -1.61 -0.02 0.00 -1.56 0.00 0.00 34.95 31.64 1u3o s ARG 58 CO -0.04 0.42 -0.08 -0.08 -0.81 0.00 0.00 175.30 174.72 1u3o s THR 59 N -0.66 3.54 -0.03 4.11 -1.32 0.13 -0.23 115.64 121.17 1u3o s THR 59 Ca 0.08 -0.49 0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1u3o s THR 59 Cb -0.09 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.37 1u3o s THR 59 CO 0.01 0.52 0.05 1.07 -2.21 0.00 0.00 174.62 174.05 1u3o n THR 60 N 3.33 0.00 0.14 5.08 5.66 -1.26 -1.74 114.28 125.49 1u3o n THR 60 Ca -0.18 -0.21 0.04 0.00 -3.05 0.00 0.00 64.05 60.65 1u3o n THR 60 Cb 0.53 0.69 0.21 0.00 -1.55 0.00 0.00 70.33 70.20 1u3o n THR 60 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1u3o n GLU 61 N -1.34 2.85 -3.51 1.09 2.13 -1.26 -4.56 120.64 116.04 1u3o n GLU 61 Ca -0.00 -1.60 -0.28 0.00 0.66 0.00 0.00 57.16 55.93 1u3o n GLU 61 Cb 0.03 -1.80 -0.14 0.00 0.27 0.00 0.00 31.44 29.80 1u3o n GLU 61 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u3o s ARG 62 N -1.85 0.29 -0.11 5.31 0.52 -1.26 -5.11 118.95 116.74 1u3o s ARG 62 Ca 0.28 -0.72 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 1u3o s ARG 62 Cb 0.20 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 34.49 1u3o s ARG 62 CO 0.10 -1.07 0.93 -1.54 0.02 0.00 0.00 175.30 173.73 1u3o s SER 63 N 1.84 7.16 0.39 0.23 1.04 -1.26 -1.68 113.70 121.41 1u3o s SER 63 Ca 0.11 1.42 -0.23 0.00 0.48 0.00 0.00 55.95 57.73 1u3o s SER 63 Cb -0.18 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.32 1u3o s SER 63 CO -0.27 -0.38 0.95 -2.16 0.98 0.00 0.00 173.24 172.36 1u3o s PRO 64 N 1.81 4.36 1.13 4.02 0.04 -1.26 -5.15 135.00 139.96 1u3o s PRO 64 Ca 0.45 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 1u3o s PRO 64 Cb -0.18 -2.43 0.11 0.00 0.04 0.00 0.00 34.50 32.05 1u3o s PRO 64 CO 0.18 0.08 0.02 -0.35 0.04 0.00 0.00 177.00 176.97 1u3o n PRO 65 N -0.16 -1.70 -3.97 0.56 -0.04 -0.68 -5.01 135.00 123.99 1u3o n PRO 65 Ca 0.05 -0.48 -0.08 0.00 -0.04 0.00 0.00 63.50 62.95 1u3o n PRO 65 Cb 0.52 -1.70 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 1u3o n PRO 65 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1u3o s GLN 66 N -3.46 0.71 0.03 0.54 0.74 -0.71 -4.92 119.66 112.58 1u3o s GLN 66 Ca 0.56 -1.06 0.02 0.00 0.05 0.00 0.00 55.36 54.93 1u3o s GLN 66 Cb -0.11 0.27 -0.02 0.00 1.10 0.00 0.00 33.01 34.24 1u3o s GLN 66 CO 0.65 -0.18 -0.08 -1.83 -0.55 0.00 0.00 175.29 173.30 1u3o s GLU 67 N -3.76 0.54 0.24 1.67 -1.05 -1.26 0.18 118.70 115.26 1u3o s GLU 67 Ca 0.05 -0.66 -0.00 0.00 -0.15 0.00 0.00 54.97 54.21 1u3o s GLU 67 Cb 0.06 -0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 33.34 1u3o s GLU 67 CO -0.10 0.08 0.22 0.20 0.95 0.00 0.00 175.26 176.61 1u3o s GLY 68 N -1.28 1.56 -0.09 -3.83 0.00 0.65 -3.58 107.32 100.74 1u3o s GLY 68 Ca -0.07 -1.70 -0.05 0.00 0.00 0.00 0.00 44.72 42.91 1u3o s GLY 68 CO 0.00 -1.32 0.22 1.08 0.00 0.00 0.00 173.10 173.08 1u3o s LEU 69 N -3.20 0.51 0.33 0.66 1.02 -1.25 -1.84 118.68 114.92 1u3o s LEU 69 Ca 0.37 0.46 -0.18 0.00 0.02 0.00 0.00 54.13 54.81 1u3o s LEU 69 Cb 0.05 0.64 0.05 0.00 0.02 0.00 0.00 46.19 46.94 1u3o s LEU 69 CO 0.16 -0.16 0.80 0.68 0.02 0.00 0.00 176.35 177.85 1u3o s VAL 70 N 1.21 0.00 0.37 -1.59 -7.23 -0.49 -4.88 120.40 107.79 1u3o s VAL 70 Ca -0.09 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.05 1u3o s VAL 70 Cb -0.10 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 1u3o s VAL 70 CO -0.08 0.00 0.69 -2.16 -0.31 0.00 0.00 175.10 173.24 1u3o s PRO 71 N -2.76 3.69 0.58 4.82 0.04 -1.26 -0.16 135.00 139.95 1u3o s PRO 71 Ca 0.15 0.25 0.32 0.00 0.04 0.00 0.00 61.00 61.76 1u3o s PRO 71 Cb -0.05 -2.49 1.39 0.00 0.04 0.00 0.00 34.50 33.39 1u3o s PRO 71 CO 0.09 0.04 1.71 1.03 0.04 0.00 0.00 177.00 179.91 1u3o h SER 72 N 1.27 0.00 -0.19 6.66 0.87 0.14 0.53 113.55 122.83 1u3o h SER 72 Ca -0.47 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.12 1u3o h SER 72 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1u3o h SER 72 CO 0.64 0.00 0.13 0.28 -0.53 0.00 0.00 176.83 177.35 1u3o h SER 73 N 0.00 0.10 -0.36 6.23 0.02 -1.93 -1.02 113.55 116.60 1u3o h SER 73 Ca 0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1u3o h SER 73 Cb 2.12 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.63 1u3o h SER 73 CO -0.00 0.07 0.00 0.35 -1.14 0.00 0.00 176.83 176.11 1u3o n THR 74 N -4.50 0.75 -3.99 -2.27 -2.24 0.18 -4.34 114.28 97.87 1u3o n THR 74 Ca 0.01 -0.87 -0.16 0.00 -2.27 0.00 0.00 64.05 60.75 1u3o n THR 74 Cb 0.18 0.71 -0.16 0.00 -2.10 0.00 0.00 70.33 68.96 1u3o n THR 74 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u3o s LEU 75 N -1.07 1.46 0.06 3.22 1.02 -0.39 -1.50 118.68 121.48 1u3o s LEU 75 Ca 0.28 -0.04 -0.33 0.00 0.02 0.00 0.00 54.13 54.06 1u3o s LEU 75 Cb 0.16 -0.22 -0.12 0.00 0.02 0.00 0.00 46.19 46.03 1u3o s LEU 75 CO 0.21 -0.05 1.80 0.00 0.02 0.00 0.00 176.35 178.33 1u3o s ILE 77 N 2.83 0.38 0.00 0.00 -0.00 -1.26 -4.70 121.20 118.45 1u3o s ILE 77 Ca 0.85 -2.00 -0.00 0.00 -0.00 0.00 0.00 60.65 59.50 1u3o s ILE 77 Cb -0.59 -2.36 -0.00 0.00 -0.00 0.00 0.00 42.46 39.50 1u3o s ILE 77 CO 0.42 0.00 -0.01 -1.54 -0.00 0.00 0.00 174.94 173.82 1u3o n SER 78 N -1.42 0.10 -1.86 4.36 3.41 -1.26 -5.14 113.62 111.80 1u3o n SER 78 Ca -0.02 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1u3o n SER 78 Cb 0.64 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1u3o n SER 78 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1u3o n HIS 79 N -3.05 -4.46 1.21 7.33 8.25 -1.26 -5.28 115.22 117.96 1u3o n HIS 79 Ca -0.01 2.63 0.13 0.00 -0.26 0.00 0.00 57.72 60.20 1u3o n HIS 79 Cb 0.48 -3.52 0.28 0.00 1.12 0.00 0.00 29.99 28.35 1u3o n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43