#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 -0.10 2.76 0.23 0.00 -1.26 -4.93 105.19 101.89 1u3o n GLY 15 Ca 0.00 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1u3o n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3o n GLY 16 N 0.56 5.86 2.90 -0.02 0.00 -1.26 -4.94 105.19 108.29 1u3o n GLY 16 Ca 0.13 -2.57 -0.20 0.00 0.00 0.00 0.00 46.02 43.38 1u3o n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3o s GLU 18 N 0.85 1.00 0.03 0.00 2.12 -0.96 -4.95 118.70 116.79 1u3o s GLU 18 Ca -0.12 -0.94 -0.30 0.00 0.36 0.00 0.00 54.97 53.97 1u3o s GLU 18 Cb -0.14 -1.08 -0.04 0.00 0.26 0.00 0.00 34.13 33.13 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 -1.52 4.38 0.01 2.70 1.43 -1.26 0.17 118.68 124.60 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 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1u3o s LEU 19 CO 0.02 -0.30 -0.01 0.28 0.23 0.00 0.00 176.35 176.57 1u3o s THR 20 N 0.90 0.07 -0.09 5.49 -1.32 0.12 -4.81 115.64 116.00 1u3o s THR 20 Ca 0.53 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1u3o s THR 20 Cb -0.24 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.55 1u3o s THR 20 CO 0.29 -0.30 -0.09 0.68 -2.21 0.00 0.00 174.62 172.99 1u3o s VAL 21 N -0.89 3.51 -0.11 5.08 -7.23 -1.26 -0.41 120.40 119.09 1u3o s VAL 21 Ca -0.10 -0.54 -0.28 0.00 -1.81 0.00 0.00 61.98 59.25 1u3o s VAL 21 Cb -0.06 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1u3o s VAL 21 CO -0.01 0.57 0.95 0.68 -0.31 0.00 0.00 175.10 176.99 1u3o s VAL 22 N -0.44 4.82 0.04 1.32 -7.23 -1.10 -1.57 120.40 116.24 1u3o s VAL 22 Ca 0.06 1.92 0.18 0.00 -1.81 0.00 0.00 61.98 62.34 1u3o s VAL 22 Cb -0.12 -4.26 0.12 0.00 0.56 0.00 0.00 36.38 32.68 1u3o s VAL 22 CO 0.02 0.03 1.64 -0.07 -0.31 0.00 0.00 175.10 176.41 1u3o h LEU 23 N 7.94 0.00 -7.87 1.32 3.38 0.63 -0.71 115.31 120.00 1u3o h LEU 23 Ca -0.32 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.49 1u3o h LEU 23 Cb 1.15 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.69 1u3o h LEU 23 CO 0.84 0.40 -0.61 0.00 0.09 0.00 0.00 178.44 179.16 1u3o s GLN 24 N -3.36 0.37 0.49 1.13 -2.07 -1.18 -4.71 119.66 110.33 1u3o s GLN 24 Ca 0.02 -0.49 -0.22 0.00 -1.82 0.00 0.00 55.36 52.84 1u3o s GLN 24 Cb 0.10 0.14 -0.07 0.00 -1.09 0.00 0.00 33.01 32.09 1u3o s GLN 24 CO 0.70 -0.08 1.20 -0.51 -1.32 0.00 0.00 175.29 175.28 1u3o s ASP 25 N -1.37 5.90 0.03 12.60 1.01 -1.26 -4.16 116.67 129.42 1u3o s ASP 25 Ca -0.15 2.37 -0.07 0.00 0.71 0.00 0.00 52.55 55.41 1u3o s ASP 25 Cb -0.09 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 1u3o s ASP 25 CO 0.00 -1.11 0.14 0.12 0.21 0.00 0.00 175.17 174.53 1u3o s PHE 26 N -1.53 0.11 -0.04 4.23 5.36 0.11 -4.91 117.98 121.31 1u3o s PHE 26 Ca 0.67 -0.32 0.05 0.00 -0.96 0.00 0.00 56.93 56.37 1u3o s PHE 26 Cb -0.30 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.29 1u3o s PHE 26 CO 0.36 -0.37 -0.20 -1.54 -1.46 0.00 0.00 175.22 172.02 1u3o s SER 27 N -1.91 2.39 0.78 6.13 1.04 -1.26 0.13 113.70 121.00 1u3o s SER 27 Ca -0.08 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 55.89 1u3o s SER 27 Cb -0.03 -0.51 0.12 0.00 0.10 0.00 0.00 66.02 65.70 1u3o s SER 27 CO -0.03 0.20 0.27 0.00 0.98 0.00 0.00 173.24 174.67 1u3o n ALA 28 N 2.90 -1.62 0.00 5.32 0.00 -1.08 -4.83 120.51 121.21 1u3o n ALA 28 Ca -0.17 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.80 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 -3.37 0.00 -2.18 0.00 0.00 -1.26 -4.91 120.51 108.79 1u3o n ALA 29 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 1u3o n ALA 29 Cb 0.18 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.67 1u3o n ALA 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1u3o s HIS 30 N 0.00 1.54 0.00 0.00 5.04 -1.26 -5.00 115.29 115.61 1u3o s HIS 30 Ca 0.00 -0.76 0.00 0.00 -1.54 0.00 0.00 55.06 52.76 1u3o s HIS 30 Cb 0.00 -2.10 0.00 0.00 0.04 0.00 0.00 32.58 30.52 1u3o s HIS 30 CO 0.00 -0.86 0.90 0.43 -2.34 0.00 0.00 174.74 172.87 1u3o n SER 31 N -2.04 0.00 -2.06 9.88 7.64 -1.26 -2.03 113.62 123.75 1u3o n SER 31 Ca 0.09 0.90 -0.22 0.00 1.01 0.00 0.00 58.87 60.65 1u3o n SER 31 Cb 0.63 -0.40 0.04 0.00 -1.01 0.00 0.00 64.21 63.46 1u3o n SER 31 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1u3o n SER 32 N -2.39 6.75 -4.91 6.43 2.88 -1.26 -4.93 113.62 116.18 1u3o n SER 32 Ca 0.00 -3.24 -0.25 0.00 -1.33 0.00 0.00 58.87 54.05 1u3o n SER 32 Cb 0.00 -1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 62.37 1u3o n SER 32 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1u3o s GLU 33 N -2.26 3.30 0.19 -1.46 2.02 -0.86 -2.21 118.70 117.42 1u3o s GLU 33 Ca 0.41 -0.70 -0.14 0.00 0.02 0.00 0.00 54.97 54.56 1u3o s GLU 33 Cb 0.31 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.69 1u3o s GLU 33 CO -0.03 0.49 0.44 -0.48 0.02 0.00 0.00 175.26 175.70 1u3o s LEU 34 N -3.35 0.39 -0.18 1.80 0.05 -1.25 -4.70 118.68 111.44 1u3o s LEU 34 Ca 0.34 -0.63 -0.21 0.00 0.05 0.00 0.00 54.13 53.67 1u3o s LEU 34 Cb -0.10 1.81 -0.03 0.00 -2.05 0.00 0.00 46.19 45.82 1u3o s LEU 34 CO 0.27 -1.00 0.65 -0.94 -0.55 0.00 0.00 176.35 174.78 1u3o s SER 35 N -2.91 6.74 0.30 1.48 1.04 -1.26 -2.62 113.70 116.47 1u3o s SER 35 Ca 0.12 0.89 0.09 0.00 0.48 0.00 0.00 55.95 57.54 1u3o s SER 35 Cb 0.00 -2.36 -0.06 0.00 0.10 0.00 0.00 66.02 63.70 1u3o s SER 35 CO -0.01 -0.26 -0.10 0.27 0.98 0.00 0.00 173.24 174.11 1u3o s ILE 36 N 1.81 2.03 0.07 -1.02 -0.00 0.34 -4.95 121.20 119.48 1u3o s ILE 36 Ca 0.30 -2.21 0.05 0.00 -0.00 0.00 0.00 60.65 58.79 1u3o s ILE 36 Cb -0.16 -2.47 -0.03 0.00 -0.00 0.00 0.00 42.46 39.80 1u3o s ILE 36 CO 0.11 -0.30 -0.14 -1.10 -0.00 0.00 0.00 174.94 173.51 1u3o s GLN 37 N -3.64 0.83 0.07 0.37 -0.21 -1.26 0.04 119.66 115.87 1u3o s GLN 37 Ca 0.30 -0.92 -0.31 0.00 0.02 0.00 0.00 55.36 54.46 1u3o s GLN 37 Cb 0.01 -0.83 -0.09 0.00 1.00 0.00 0.00 33.01 33.10 1u3o s GLN 37 CO 0.14 0.19 1.80 0.54 -2.12 0.00 0.00 175.29 175.83 1u3o s VAL 38 N -1.21 2.89 0.00 1.09 0.11 -1.26 -2.80 120.40 119.22 1u3o s VAL 38 Ca -0.02 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1u3o s VAL 38 Cb -0.10 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1u3o s VAL 38 CO 0.02 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1u3o n GLY 39 N 4.23 1.77 3.80 6.54 0.00 -0.27 -4.93 105.19 116.32 1u3o n GLY 39 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.12 1.66 -0.11 1.61 -2.07 -1.12 -4.85 119.66 114.65 1u3o s GLN 40 Ca 0.00 0.48 0.03 0.00 -1.82 0.00 0.00 55.36 54.05 1u3o s GLN 40 Cb 0.00 -1.88 0.01 0.00 -1.09 0.00 0.00 33.01 30.04 1u3o s GLN 40 CO 0.00 -1.88 -0.21 0.99 -1.32 0.00 0.00 175.29 172.87 1u3o s THR 41 N -3.21 1.90 -0.03 3.63 2.01 -1.26 -2.69 115.64 115.99 1u3o s THR 41 Ca 0.62 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1u3o s THR 41 Cb -0.15 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.70 1u3o s THR 41 CO 0.54 0.52 0.15 -0.69 -0.69 0.00 0.00 174.62 174.45 1u3o s VAL 42 N 0.61 0.04 -0.14 3.82 1.01 0.45 -4.97 120.40 121.22 1u3o s VAL 42 Ca -0.13 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 1u3o s VAL 42 Cb -0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1u3o s VAL 42 CO 0.04 -0.17 1.08 -1.83 0.00 0.00 0.00 175.10 174.22 1u3o s GLU 43 N -0.57 4.34 0.48 2.72 -1.05 0.08 -0.70 118.70 124.00 1u3o s GLU 43 Ca -0.07 1.47 -0.22 0.00 -0.15 0.00 0.00 54.97 56.01 1u3o s GLU 43 Cb -0.04 -3.60 -0.07 0.00 -0.44 0.00 0.00 34.13 29.98 1u3o s GLU 43 CO 0.01 -0.48 1.13 -0.48 0.95 0.00 0.00 175.26 176.38 1u3o s LEU 44 N 2.58 3.92 -0.08 1.83 0.05 0.45 0.12 118.68 127.55 1u3o s LEU 44 Ca 0.49 2.19 -0.08 0.00 0.05 0.00 0.00 54.13 56.78 1u3o s LEU 44 Cb -0.19 -4.39 -0.05 0.00 -2.05 0.00 0.00 46.19 39.51 1u3o s LEU 44 CO 0.15 -0.96 0.32 -0.07 -0.55 0.00 0.00 176.35 175.24 1u3o h LEU 45 N 1.75 -0.18 0.00 1.48 3.38 -1.83 -2.56 115.31 117.36 1u3o h LEU 45 Ca -0.49 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1u3o h LEU 45 Cb 1.25 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1u3o h LEU 45 CO 0.59 0.33 0.00 -1.84 0.09 0.00 0.00 178.44 177.61 1u3o n GLU 46 N -4.91 2.28 -4.24 1.13 0.28 -1.26 -4.37 120.64 109.55 1u3o n GLU 46 Ca -0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.83 1u3o n GLU 46 Cb 0.12 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.89 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 1.28 1.25 -0.61 3.44 0.52 -1.26 -4.55 118.95 119.02 1u3o s ARG 47 Ca 0.00 -1.66 -0.09 0.00 -0.52 0.00 0.00 55.73 53.46 1u3o s ARG 47 Cb 0.00 0.02 -0.08 0.00 0.52 0.00 0.00 34.95 35.41 1u3o s ARG 47 CO 0.00 -0.32 1.78 -2.30 0.02 0.00 0.00 175.30 174.48 1u3o n PRO 48 N -0.33 1.35 -0.04 3.54 -0.02 -1.26 -4.42 135.00 133.83 1u3o n PRO 48 Ca -0.00 -1.27 -0.19 0.00 -2.02 0.00 0.00 63.50 60.02 1u3o n PRO 48 Cb 0.66 -2.43 -0.13 0.00 -0.02 0.00 0.00 33.50 31.58 1u3o n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1u3o h SER 49 N 7.23 0.17 0.31 2.55 0.87 -1.96 -3.39 113.55 119.33 1u3o h SER 49 Ca 0.35 -0.82 -0.33 0.00 -1.23 0.00 0.00 61.79 59.76 1u3o h SER 49 Cb 0.24 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1u3o h SER 49 CO 1.47 1.36 -1.68 1.05 -0.53 0.00 0.00 176.83 178.50 1u3o h GLU 50 N -0.72 0.31 -4.85 2.24 4.11 -2.02 -3.46 114.58 110.19 1u3o h GLU 50 Ca -0.20 -0.53 -0.49 0.00 0.07 0.00 0.00 59.36 58.22 1u3o h GLU 50 Cb 1.39 0.20 -0.31 0.00 0.50 0.00 0.00 28.75 30.52 1u3o h GLU 50 CO -0.02 1.19 -0.81 -0.98 0.07 0.00 0.00 179.01 178.46 1u3o s ARG 51 N -2.59 1.32 -0.40 1.06 1.70 -1.26 -5.12 118.95 113.66 1u3o s ARG 51 Ca -0.13 -0.42 -0.16 0.00 -0.47 0.00 0.00 55.73 54.54 1u3o s ARG 51 Cb 0.06 -1.18 0.01 0.00 -0.57 0.00 0.00 34.95 33.27 1u3o s ARG 51 CO 0.85 0.15 0.38 -1.25 -1.08 0.00 0.00 175.30 174.35 1u3o s PRO 52 N 0.18 3.18 0.00 3.89 0.04 -1.26 -4.16 135.00 136.87 1u3o s PRO 52 Ca -0.04 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.25 1u3o s PRO 52 Cb -0.10 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1u3o s PRO 52 CO 0.01 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1u3o n GLY 53 N 5.09 0.83 3.84 0.56 0.00 -1.26 -5.07 105.19 109.17 1u3o n GLY 53 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.74 2.98 0.10 1.61 1.48 -1.26 0.20 118.94 123.33 1u3o s TRP 54 Ca 0.00 -0.22 -0.24 0.00 -1.06 0.00 0.00 56.10 54.57 1u3o s TRP 54 Cb 0.00 -1.62 0.07 0.00 -1.16 0.00 0.00 33.47 30.75 1u3o s TRP 54 CO 0.00 0.33 0.60 0.00 -4.06 0.00 0.00 176.95 173.82 1u3o s LEU 56 N -2.36 3.10 -0.05 0.00 1.02 -1.26 -1.36 118.68 117.77 1u3o s LEU 56 Ca -0.02 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.45 1u3o s LEU 56 Cb -0.01 -1.65 0.03 0.00 0.02 0.00 0.00 46.19 44.58 1u3o s LEU 56 CO -0.07 0.02 0.02 0.68 0.02 0.00 0.00 176.35 177.02 1u3o s VAL 57 N -2.23 0.18 0.06 -1.59 -7.23 -0.72 -3.72 120.40 105.14 1u3o s VAL 57 Ca 0.30 0.22 0.09 0.00 -1.81 0.00 0.00 61.98 60.78 1u3o s VAL 57 Cb -0.07 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 1u3o s VAL 57 CO 0.19 0.21 -0.25 -0.60 -0.31 0.00 0.00 175.10 174.34 1u3o s ARG 58 N 1.87 1.64 -0.13 4.82 3.52 0.32 0.23 118.95 131.21 1u3o s ARG 58 Ca 0.02 -1.11 -0.01 0.00 -0.13 0.00 0.00 55.73 54.50 1u3o s ARG 58 Cb -0.12 -1.85 -0.02 0.00 -1.56 0.00 0.00 34.95 31.39 1u3o s ARG 58 CO -0.04 0.47 -0.08 -0.08 -0.81 0.00 0.00 175.30 174.76 1u3o s THR 59 N -0.85 3.50 -0.03 4.11 -1.32 0.70 -0.74 115.64 121.01 1u3o s THR 59 Ca 0.11 -0.51 0.02 0.00 -1.21 0.00 0.00 61.69 60.10 1u3o s THR 59 Cb -0.10 -2.49 -0.02 0.00 -1.51 0.00 0.00 72.50 68.38 1u3o s THR 59 CO 0.03 0.52 0.05 0.41 -2.21 0.00 0.00 174.62 173.42 1u3o n THR 60 N 3.31 0.00 0.16 5.08 -1.04 -1.26 -1.73 114.28 118.79 1u3o n THR 60 Ca -0.18 -0.18 0.04 0.00 -2.04 0.00 0.00 64.05 61.69 1u3o n THR 60 Cb 0.53 0.64 0.20 0.00 -1.82 0.00 0.00 70.33 69.88 1u3o n THR 60 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1u3o n GLU 61 N -1.39 2.81 -3.52 -2.82 4.07 -1.26 -4.56 120.64 113.97 1u3o n GLU 61 Ca -0.00 -1.57 -0.29 0.00 -0.06 0.00 0.00 57.16 55.24 1u3o n GLU 61 Cb 0.04 -1.79 -0.14 0.00 -0.06 0.00 0.00 31.44 29.48 1u3o n GLU 61 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1u3o s ARG 62 N -1.83 0.28 -0.11 5.31 0.52 -1.26 -5.11 118.95 116.75 1u3o s ARG 62 Ca 0.27 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.46 1u3o s ARG 62 Cb 0.20 -1.20 -0.02 0.00 0.52 0.00 0.00 34.95 34.46 1u3o s ARG 62 CO 0.10 -1.07 0.92 -1.54 0.02 0.00 0.00 175.30 173.73 1u3o s SER 63 N 1.83 7.15 0.39 0.23 1.04 -1.26 -1.70 113.70 121.37 1u3o s SER 63 Ca 0.11 1.41 -0.23 0.00 0.48 0.00 0.00 55.95 57.72 1u3o s SER 63 Cb -0.18 -2.51 -0.11 0.00 0.10 0.00 0.00 66.02 63.32 1u3o s SER 63 CO -0.27 -0.38 0.94 -2.16 0.98 0.00 0.00 173.24 172.36 1u3o s PRO 64 N 1.83 4.36 1.13 4.02 0.04 -1.26 -5.15 135.00 139.97 1u3o s PRO 64 Ca 0.45 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1u3o s PRO 64 Cb -0.18 -2.42 0.11 0.00 0.04 0.00 0.00 34.50 32.05 1u3o s PRO 64 CO 0.17 0.09 -0.01 -0.35 0.04 0.00 0.00 177.00 176.95 1u3o n PRO 65 N -0.17 -1.67 -4.06 0.56 -0.04 -0.69 -5.01 135.00 123.93 1u3o n PRO 65 Ca 0.05 -0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 62.94 1u3o n PRO 65 Cb 0.52 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.44 1.06 0.04 0.54 0.74 -0.71 -4.92 119.66 112.98 1u3o s GLN 66 Ca 0.55 -1.31 0.02 0.00 0.05 0.00 0.00 55.36 54.67 1u3o s GLN 66 Cb -0.11 0.31 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 1u3o s GLN 66 CO 0.65 -0.35 -0.07 -1.21 -0.55 0.00 0.00 175.29 173.76 1u3o s GLU 67 N -4.01 0.49 0.24 1.67 2.02 -1.26 -0.21 118.70 117.64 1u3o s GLU 67 Ca 0.21 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.46 1u3o s GLU 67 Cb 0.05 -0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.03 1u3o s GLU 67 CO 0.01 0.03 0.24 0.20 0.02 0.00 0.00 175.26 175.76 1u3o s GLY 68 N -1.56 1.49 -0.09 -1.39 0.00 0.63 -3.64 107.32 102.76 1u3o s GLY 68 Ca -0.11 -1.64 -0.05 0.00 0.00 0.00 0.00 44.72 42.92 1u3o s GLY 68 CO 0.00 -1.27 0.22 1.08 0.00 0.00 0.00 173.10 173.12 1u3o s LEU 69 N -3.19 0.59 0.31 0.66 1.02 -1.25 -1.75 118.68 115.07 1u3o s LEU 69 Ca 0.36 0.45 -0.19 0.00 0.02 0.00 0.00 54.13 54.77 1u3o s LEU 69 Cb 0.04 0.64 0.04 0.00 0.02 0.00 0.00 46.19 46.93 1u3o s LEU 69 CO 0.15 -0.15 0.77 0.68 0.02 0.00 0.00 176.35 177.83 1u3o s VAL 70 N 1.09 0.00 0.35 -1.59 -7.23 -0.47 -4.88 120.40 107.68 1u3o s VAL 70 Ca -0.08 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.99 1u3o s VAL 70 Cb -0.10 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 1u3o s VAL 70 CO -0.07 0.00 0.74 -2.16 -0.31 0.00 0.00 175.10 173.30 1u3o s PRO 71 N -3.22 3.91 0.58 4.82 0.04 -1.26 -0.15 135.00 139.72 1u3o s PRO 71 Ca 0.13 0.57 0.31 0.00 0.04 0.00 0.00 61.00 62.05 1u3o s PRO 71 Cb -0.05 -2.43 1.36 0.00 0.04 0.00 0.00 34.50 33.42 1u3o s PRO 71 CO 0.08 0.10 1.71 1.03 0.04 0.00 0.00 177.00 179.96 1u3o h SER 72 N 1.91 0.00 -0.37 6.66 0.87 0.22 0.50 113.55 123.33 1u3o h SER 72 Ca -0.48 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.12 1u3o h SER 72 Cb 1.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1u3o h SER 72 CO 0.65 0.00 0.25 0.28 -0.53 0.00 0.00 176.83 177.48 1u3o h SER 73 N 0.00 0.31 0.01 6.23 0.02 -1.92 -0.59 113.55 117.61 1u3o h SER 73 Ca 0.38 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1u3o h SER 73 Cb 1.95 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1u3o h SER 73 CO -0.00 0.21 -0.43 0.35 -1.14 0.00 0.00 176.83 175.82 1u3o n THR 74 N -4.48 0.00 -4.57 -2.27 -2.24 0.17 -4.50 114.28 96.39 1u3o n THR 74 Ca 0.04 -0.26 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 1u3o n THR 74 Cb 0.18 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 1u3o n THR 74 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1u3o n LEU 75 N -0.00 0.00 -4.69 3.22 4.32 -0.23 0.11 117.00 119.73 1u3o n LEU 75 Ca 0.10 -2.47 -0.42 0.00 -0.02 0.00 0.00 56.01 53.20 1u3o n LEU 75 Cb 0.46 0.27 -0.03 0.00 -1.62 0.00 0.00 43.42 42.50 1u3o n LEU 75 CO 0.27 -0.35 1.45 0.00 -1.22 0.00 0.00 177.39 177.54 1u3o n ILE 77 N 4.64 0.97 -3.49 0.00 -5.35 -1.26 -4.91 119.36 109.96 1u3o n ILE 77 Ca 0.17 -0.38 0.02 0.00 -0.27 0.00 0.00 62.75 62.30 1u3o n ILE 77 Cb 0.38 -1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 37.14 1u3o n ILE 77 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1u3o s SER 78 N -5.62 -0.16 0.00 7.28 1.04 -1.26 -5.08 113.70 109.90 1u3o s SER 78 Ca -0.22 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1u3o s SER 78 Cb 0.06 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.29 1u3o s SER 78 CO 0.40 -0.04 0.00 1.57 0.98 0.00 0.00 173.24 176.15 1u3o n HIS 79 N 3.74 0.00 1.90 5.02 -0.00 -1.26 -5.22 115.22 119.40 1u3o n HIS 79 Ca -0.14 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.20 1u3o n HIS 79 Cb 0.56 0.22 0.90 0.00 -0.12 0.00 0.00 29.99 31.55 1u3o n HIS 79 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67