#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 -1.56 0.87 0.46 0.00 -1.26 -5.01 105.19 98.69 1u3o n GLY 15 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 0.00 2.96 -0.02 0.00 -1.26 -5.10 105.19 101.77 1u3o n GLY 16 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.23 1.02 0.02 0.00 2.12 -0.95 -4.94 118.70 116.19 1u3o s GLU 18 Ca -0.03 -0.94 -0.30 0.00 0.36 0.00 0.00 54.97 54.06 1u3o s GLU 18 Cb -0.07 -1.11 -0.04 0.00 0.26 0.00 0.00 34.13 33.17 1u3o s GLU 18 CO 0.00 0.27 1.05 -0.51 -0.54 0.00 0.00 175.26 175.52 1u3o s LEU 19 N -1.50 4.37 0.03 2.70 1.43 -1.26 0.16 118.68 124.61 1u3o s LEU 19 Ca 0.03 1.77 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1u3o s LEU 19 Cb -0.09 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1u3o s LEU 19 CO 0.02 -0.33 -0.00 0.28 0.23 0.00 0.00 176.35 176.55 1u3o s THR 20 N 1.03 0.13 -0.11 5.49 -1.32 -0.35 -4.83 115.64 115.69 1u3o s THR 20 Ca 0.54 -1.10 0.02 0.00 -1.21 0.00 0.00 61.69 59.94 1u3o s THR 20 Cb -0.24 -0.60 -0.01 0.00 -1.51 0.00 0.00 72.50 70.14 1u3o s THR 20 CO 0.28 -0.61 -0.19 0.68 -2.21 0.00 0.00 174.62 172.57 1u3o s VAL 21 N -2.09 2.48 -0.04 5.08 -7.23 -1.26 -0.10 120.40 117.23 1u3o s VAL 21 Ca -0.10 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.90 1u3o s VAL 21 Cb -0.05 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 1u3o s VAL 21 CO -0.03 0.55 1.44 0.68 -0.31 0.00 0.00 175.10 177.43 1u3o s VAL 22 N 0.30 3.77 0.15 1.32 -7.23 -1.13 -0.43 120.40 117.15 1u3o s VAL 22 Ca -0.14 1.07 0.24 0.00 -1.81 0.00 0.00 61.98 61.34 1u3o s VAL 22 Cb -0.17 -3.69 0.23 0.00 0.56 0.00 0.00 36.38 33.31 1u3o s VAL 22 CO 0.07 -0.04 1.84 -0.07 -0.31 0.00 0.00 175.10 176.59 1u3o h LEU 23 N 9.04 0.00 -7.98 1.32 3.38 -0.81 -1.42 115.31 118.84 1u3o h LEU 23 Ca -0.36 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.49 1u3o h LEU 23 Cb 1.17 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 1u3o h LEU 23 CO 0.93 0.23 -0.55 0.00 0.09 0.00 0.00 178.44 179.13 1u3o s GLN 24 N -3.68 0.61 0.45 1.13 1.03 -1.23 -4.75 119.66 113.21 1u3o s GLN 24 Ca 0.00 -0.88 -0.23 0.00 0.04 0.00 0.00 55.36 54.29 1u3o s GLN 24 Cb 0.10 0.23 -0.08 0.00 0.03 0.00 0.00 33.01 33.30 1u3o s GLN 24 CO 0.64 -0.15 1.12 -0.51 -2.54 0.00 0.00 175.29 173.85 1u3o s ASP 25 N -2.36 6.34 0.03 12.60 1.11 -1.26 -3.99 116.67 129.14 1u3o s ASP 25 Ca -0.02 2.18 -0.07 0.00 0.18 0.00 0.00 52.55 54.82 1u3o s ASP 25 Cb 0.01 -2.59 -0.00 0.00 1.07 0.00 0.00 42.92 41.41 1u3o s ASP 25 CO -0.06 -0.79 0.14 0.12 1.18 0.00 0.00 175.17 175.76 1u3o s PHE 26 N -1.63 0.10 -0.03 4.23 5.36 0.91 -4.90 117.98 122.03 1u3o s PHE 26 Ca 0.63 -0.31 0.05 0.00 -0.96 0.00 0.00 56.93 56.33 1u3o s PHE 26 Cb -0.25 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.34 1u3o s PHE 26 CO 0.31 -0.37 -0.19 -1.54 -1.46 0.00 0.00 175.22 171.98 1u3o s SER 27 N -1.90 2.27 0.78 6.13 1.04 -1.26 0.13 113.70 120.89 1u3o s SER 27 Ca -0.08 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 55.91 1u3o s SER 27 Cb -0.03 -0.50 0.12 0.00 0.10 0.00 0.00 66.02 65.71 1u3o s SER 27 CO -0.02 0.19 0.26 0.00 0.98 0.00 0.00 173.24 174.65 1u3o n ALA 28 N 2.94 -1.61 0.00 5.32 0.00 -1.07 -4.82 120.51 121.27 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 -3.33 0.00 -2.21 0.00 0.00 -1.26 -4.92 120.51 108.80 1u3o n ALA 29 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1u3o n ALA 29 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.66 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 1.62 0.00 0.00 5.04 -1.26 -5.01 115.29 115.69 1u3o s HIS 30 Ca 0.00 -0.75 0.00 0.00 -1.54 0.00 0.00 55.06 52.77 1u3o s HIS 30 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 32.58 30.54 1u3o s HIS 30 CO 0.00 -0.77 0.63 -1.13 -2.34 0.00 0.00 174.74 171.13 1u3o n SER 31 N -1.97 0.00 -2.47 9.88 3.41 -1.26 -2.03 113.62 119.18 1u3o n SER 31 Ca 0.07 0.63 -0.30 0.00 -0.26 0.00 0.00 58.87 59.00 1u3o n SER 31 Cb 0.63 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1u3o n SER 31 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1u3o n SER 32 N -1.53 6.97 -4.92 4.04 7.64 -1.26 -4.95 113.62 119.61 1u3o n SER 32 Ca 0.00 -3.45 -0.26 0.00 1.01 0.00 0.00 58.87 56.17 1u3o n SER 32 Cb 0.00 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.05 1u3o n SER 32 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1u3o s GLU 33 N -2.73 3.33 0.19 1.43 2.02 -0.86 -2.18 118.70 119.90 1u3o s GLU 33 Ca 0.53 -0.67 -0.13 0.00 0.02 0.00 0.00 54.97 54.72 1u3o s GLU 33 Cb 0.39 -2.89 0.01 0.00 0.10 0.00 0.00 34.13 31.74 1u3o s GLU 33 CO -0.20 0.50 0.41 -0.48 0.02 0.00 0.00 175.26 175.51 1u3o s LEU 34 N -3.29 0.49 -0.18 1.80 0.05 -1.25 -4.69 118.68 111.61 1u3o s LEU 34 Ca 0.34 -0.71 -0.21 0.00 0.05 0.00 0.00 54.13 53.60 1u3o s LEU 34 Cb -0.11 1.69 -0.03 0.00 -2.05 0.00 0.00 46.19 45.69 1u3o s LEU 34 CO 0.28 -1.00 0.62 -0.94 -0.55 0.00 0.00 176.35 174.76 1u3o s SER 35 N -2.93 6.71 0.31 1.48 1.04 -1.26 -2.61 113.70 116.44 1u3o s SER 35 Ca 0.14 0.86 0.07 0.00 0.48 0.00 0.00 55.95 57.51 1u3o s SER 35 Cb 0.01 -2.35 -0.06 0.00 0.10 0.00 0.00 66.02 63.72 1u3o s SER 35 CO -0.00 -0.23 -0.06 0.27 0.98 0.00 0.00 173.24 174.20 1u3o s ILE 36 N 1.67 1.82 0.06 -1.02 -0.00 0.34 -4.95 121.20 119.13 1u3o s ILE 36 Ca 0.29 -2.13 0.05 0.00 -0.00 0.00 0.00 60.65 58.86 1u3o s ILE 36 Cb -0.16 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.46 39.70 1u3o s ILE 36 CO 0.11 -0.23 -0.14 -1.10 -0.00 0.00 0.00 174.94 173.58 1u3o s GLN 37 N -3.70 0.87 0.02 0.37 -0.21 -1.26 -0.06 119.66 115.68 1u3o s GLN 37 Ca 0.31 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.50 1u3o s GLN 37 Cb 0.04 -0.89 -0.08 0.00 1.00 0.00 0.00 33.01 33.09 1u3o s GLN 37 CO 0.14 0.21 1.85 0.54 -2.12 0.00 0.00 175.29 175.90 1u3o s VAL 38 N -1.11 3.16 0.00 1.09 0.11 -1.26 -2.80 120.40 119.59 1u3o s VAL 38 Ca -0.00 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1u3o s VAL 38 Cb -0.09 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 1u3o s VAL 38 CO 0.02 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1u3o n GLY 39 N 4.37 2.05 3.84 6.54 0.00 -0.53 -4.93 105.19 116.54 1u3o n GLY 39 Ca 0.19 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 -0.14 1.71 -0.13 1.61 -2.07 -1.12 -4.88 119.66 114.64 1u3o s GLN 40 Ca 0.00 0.26 0.03 0.00 -1.82 0.00 0.00 55.36 53.83 1u3o s GLN 40 Cb 0.00 -1.91 0.01 0.00 -1.09 0.00 0.00 33.01 30.02 1u3o s GLN 40 CO 0.00 -1.80 -0.21 0.99 -1.32 0.00 0.00 175.29 172.95 1u3o s THR 41 N -3.40 1.91 -0.07 3.63 2.01 -1.26 -2.84 115.64 115.62 1u3o s THR 41 Ca 0.62 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 1u3o s THR 41 Cb -0.13 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.70 1u3o s THR 41 CO 0.51 0.52 0.18 -0.69 -0.69 0.00 0.00 174.62 174.46 1u3o s VAL 42 N 0.78 0.00 -0.12 3.82 1.01 0.85 -4.97 120.40 121.78 1u3o s VAL 42 Ca -0.09 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 1u3o s VAL 42 Cb -0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 1u3o s VAL 42 CO -0.00 -0.02 1.09 -1.83 0.00 0.00 0.00 175.10 174.34 1u3o s GLU 43 N 0.03 4.36 0.50 2.72 -1.05 0.12 -1.21 118.70 124.17 1u3o s GLU 43 Ca -0.01 1.49 -0.21 0.00 -0.15 0.00 0.00 54.97 56.09 1u3o s GLU 43 Cb -0.02 -3.58 -0.06 0.00 -0.44 0.00 0.00 34.13 30.03 1u3o s GLU 43 CO 0.00 -0.44 1.17 -0.48 0.95 0.00 0.00 175.26 176.46 1u3o s LEU 44 N 2.40 3.89 -0.05 1.83 0.05 0.43 0.15 118.68 127.38 1u3o s LEU 44 Ca 0.50 2.30 -0.11 0.00 0.05 0.00 0.00 54.13 56.88 1u3o s LEU 44 Cb -0.20 -4.38 -0.06 0.00 -2.05 0.00 0.00 46.19 39.50 1u3o s LEU 44 CO 0.17 -1.11 0.45 -0.07 -0.55 0.00 0.00 176.35 175.23 1u3o h LEU 45 N 1.65 -0.33 0.00 1.48 3.38 -1.84 -2.52 115.31 117.12 1u3o h LEU 45 Ca -0.50 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1u3o h LEU 45 Cb 1.26 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1u3o h LEU 45 CO 0.59 0.12 0.00 -1.84 0.09 0.00 0.00 178.44 177.39 1u3o n GLU 46 N -5.01 2.34 -4.35 1.13 0.28 -1.26 -4.33 120.64 109.44 1u3o n GLU 46 Ca -0.05 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.77 1u3o n GLU 46 Cb 0.15 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.92 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 1.72 1.46 -0.15 3.44 0.52 -1.26 -4.63 118.95 120.05 1u3o s ARG 47 Ca 0.00 -1.79 -0.00 0.00 -0.52 0.00 0.00 55.73 53.42 1u3o s ARG 47 Cb 0.00 -0.46 0.11 0.00 0.52 0.00 0.00 34.95 35.11 1u3o s ARG 47 CO 0.00 -0.24 1.95 -0.35 0.02 0.00 0.00 175.30 176.68 1u3o n PRO 48 N -0.51 1.37 -0.01 3.54 -0.05 -1.26 -4.30 135.00 133.79 1u3o n PRO 48 Ca -0.01 -0.74 -0.16 0.00 -0.05 0.00 0.00 63.50 62.53 1u3o n PRO 48 Cb 0.66 -1.29 -0.12 0.00 -0.05 0.00 0.00 33.50 32.70 1u3o n PRO 48 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 1u3o h SER 49 N 1.15 0.31 0.38 3.54 0.87 -1.96 -3.32 113.55 114.52 1u3o h SER 49 Ca 0.14 -0.83 -0.30 0.00 -1.23 0.00 0.00 61.79 59.57 1u3o h SER 49 Cb 0.99 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1u3o h SER 49 CO 0.35 1.11 -1.29 1.05 -0.53 0.00 0.00 176.83 177.52 1u3o h GLU 50 N -0.45 0.45 -5.14 2.24 4.11 -2.01 -3.43 114.58 110.35 1u3o h GLU 50 Ca -0.06 -0.70 -0.67 0.00 0.07 0.00 0.00 59.36 58.00 1u3o h GLU 50 Cb 1.20 0.25 -0.34 0.00 0.50 0.00 0.00 28.75 30.36 1u3o h GLU 50 CO 0.08 1.32 -0.85 1.03 0.07 0.00 0.00 179.01 180.65 1u3o s ARG 51 N -2.77 3.04 -0.38 1.06 3.00 -1.25 -5.10 118.95 116.55 1u3o s ARG 51 Ca -0.07 -0.82 -0.19 0.00 0.00 0.00 0.00 55.73 54.65 1u3o s ARG 51 Cb 0.06 -2.53 0.01 0.00 0.00 0.00 0.00 34.95 32.49 1u3o s ARG 51 CO 0.91 -0.09 0.56 -1.25 0.00 0.00 0.00 175.30 175.43 1u3o s PRO 52 N 1.02 3.49 0.00 3.54 0.04 -1.25 -3.99 135.00 137.85 1u3o s PRO 52 Ca -0.02 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.78 1u3o s PRO 52 Cb -0.14 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1u3o s PRO 52 CO -0.06 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.61 1u3o n GLY 53 N 4.87 0.97 3.67 0.56 0.00 -1.26 -5.05 105.19 108.95 1u3o n GLY 53 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 2.70 0.08 1.61 1.48 -1.26 0.14 118.94 121.69 1u3o s TRP 54 Ca 0.00 -0.28 -0.25 0.00 -1.06 0.00 0.00 56.10 54.51 1u3o s TRP 54 Cb 0.00 -1.35 0.07 0.00 -1.16 0.00 0.00 33.47 31.02 1u3o s TRP 54 CO 0.00 0.52 0.60 0.00 -4.06 0.00 0.00 176.95 174.02 1u3o s LEU 56 N -2.15 3.16 -0.06 0.00 1.02 -1.26 -1.25 118.68 118.14 1u3o s LEU 56 Ca -0.04 -0.65 -0.01 0.00 0.02 0.00 0.00 54.13 53.45 1u3o s LEU 56 Cb -0.01 -1.69 0.03 0.00 0.02 0.00 0.00 46.19 44.54 1u3o s LEU 56 CO -0.04 0.01 0.01 0.68 0.02 0.00 0.00 176.35 177.03 1u3o s VAL 57 N -2.27 0.26 0.03 -1.59 -7.23 -0.76 -3.69 120.40 105.16 1u3o s VAL 57 Ca 0.31 0.16 0.07 0.00 -1.81 0.00 0.00 61.98 60.71 1u3o s VAL 57 Cb -0.07 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 1u3o s VAL 57 CO 0.19 0.23 -0.20 -0.60 -0.31 0.00 0.00 175.10 174.41 1u3o s ARG 58 N 1.81 1.40 -0.13 4.82 3.52 0.38 0.24 118.95 130.99 1u3o s ARG 58 Ca 0.02 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1u3o s ARG 58 Cb -0.12 -1.48 -0.02 0.00 -1.56 0.00 0.00 34.95 31.77 1u3o s ARG 58 CO -0.04 0.38 -0.09 -0.08 -0.81 0.00 0.00 175.30 174.66 1u3o s THR 59 N -0.74 3.40 -0.02 4.11 -1.32 0.12 0.11 115.64 121.30 1u3o s THR 59 Ca 0.07 -0.54 0.01 0.00 -1.21 0.00 0.00 61.69 60.02 1u3o s THR 59 Cb -0.09 -2.45 -0.02 0.00 -1.51 0.00 0.00 72.50 68.44 1u3o s THR 59 CO 0.01 0.52 0.03 0.41 -2.21 0.00 0.00 174.62 173.39 1u3o n THR 60 N 3.40 0.00 0.06 5.08 -1.04 -1.26 -1.73 114.28 118.79 1u3o n THR 60 Ca -0.18 -0.20 0.04 0.00 -2.04 0.00 0.00 64.05 61.67 1u3o n THR 60 Cb 0.53 0.68 0.21 0.00 -1.82 0.00 0.00 70.33 69.93 1u3o n THR 60 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u3o n GLU 61 N -1.34 2.99 -3.51 -2.82 -0.58 -1.26 -4.56 120.64 109.56 1u3o n GLU 61 Ca -0.00 -1.68 -0.28 0.00 -0.42 0.00 0.00 57.16 54.79 1u3o n GLU 61 Cb 0.03 -1.85 -0.14 0.00 -0.57 0.00 0.00 31.44 28.91 1u3o n GLU 61 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1u3o s ARG 62 N -1.90 0.29 -0.11 3.49 3.52 -1.26 -5.12 118.95 117.87 1u3o s ARG 62 Ca 0.29 -0.68 -0.28 0.00 -0.13 0.00 0.00 55.73 54.93 1u3o s ARG 62 Cb 0.22 -1.13 -0.02 0.00 -1.56 0.00 0.00 34.95 32.45 1u3o s ARG 62 CO 0.10 -1.07 0.92 -1.54 -0.81 0.00 0.00 175.30 172.89 1u3o s SER 63 N 1.87 7.14 0.39 -2.12 1.04 -1.26 -1.71 113.70 119.05 1u3o s SER 63 Ca 0.11 1.40 -0.23 0.00 0.48 0.00 0.00 55.95 57.71 1u3o s SER 63 Cb -0.17 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.33 1u3o s SER 63 CO -0.27 -0.37 0.95 -2.16 0.98 0.00 0.00 173.24 172.37 1u3o s PRO 64 N 1.80 4.36 1.14 4.02 0.04 -1.26 -5.15 135.00 139.95 1u3o s PRO 64 Ca 0.45 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 1u3o s PRO 64 Cb -0.18 -2.43 0.14 0.00 0.04 0.00 0.00 34.50 32.07 1u3o s PRO 64 CO 0.17 0.08 0.15 -0.35 0.04 0.00 0.00 177.00 177.10 1u3o n PRO 65 N -0.16 -1.90 -3.95 0.56 -0.04 -0.69 -5.01 135.00 123.80 1u3o n PRO 65 Ca 0.05 -0.54 -0.08 0.00 -0.04 0.00 0.00 63.50 62.88 1u3o n PRO 65 Cb 0.52 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.59 0.69 0.04 0.54 0.74 -0.70 -4.92 119.66 112.45 1u3o s GLN 66 Ca 0.56 -0.98 0.03 0.00 0.05 0.00 0.00 55.36 55.02 1u3o s GLN 66 Cb -0.13 0.27 -0.02 0.00 1.10 0.00 0.00 33.01 34.23 1u3o s GLN 66 CO 0.63 -0.18 -0.09 -1.83 -0.55 0.00 0.00 175.29 173.27 1u3o s GLU 67 N -3.50 0.62 0.27 1.67 -1.05 -1.26 0.16 118.70 115.61 1u3o s GLU 67 Ca 0.03 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.16 1u3o s GLU 67 Cb 0.04 -0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 33.21 1u3o s GLU 67 CO -0.09 0.11 0.26 0.20 0.95 0.00 0.00 175.26 176.69 1u3o s GLY 68 N -1.29 1.65 -0.09 -3.83 0.00 0.64 -3.67 107.32 100.74 1u3o s GLY 68 Ca -0.05 -1.72 -0.05 0.00 0.00 0.00 0.00 44.72 42.90 1u3o s GLY 68 CO 0.01 -1.29 0.20 1.08 0.00 0.00 0.00 173.10 173.10 1u3o s LEU 69 N -3.23 0.69 0.34 0.66 1.02 -1.25 -1.83 118.68 115.08 1u3o s LEU 69 Ca 0.37 0.43 -0.18 0.00 0.02 0.00 0.00 54.13 54.77 1u3o s LEU 69 Cb 0.04 0.61 0.04 0.00 0.02 0.00 0.00 46.19 46.90 1u3o s LEU 69 CO 0.18 -0.14 0.77 0.68 0.02 0.00 0.00 176.35 177.86 1u3o s VAL 70 N 0.98 0.00 0.31 -1.59 -7.23 -0.38 -4.87 120.40 107.62 1u3o s VAL 70 Ca -0.07 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 1u3o s VAL 70 Cb -0.09 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.26 1u3o s VAL 70 CO -0.06 0.00 0.66 -2.16 -0.31 0.00 0.00 175.10 173.24 1u3o s PRO 71 N -2.95 3.84 0.57 4.82 0.04 -1.26 -0.05 135.00 140.01 1u3o s PRO 71 Ca 0.14 0.41 0.33 0.00 0.04 0.00 0.00 61.00 61.92 1u3o s PRO 71 Cb -0.05 -2.51 1.40 0.00 0.04 0.00 0.00 34.50 33.38 1u3o s PRO 71 CO 0.09 0.16 1.69 1.03 0.04 0.00 0.00 177.00 180.02 1u3o h SER 72 N 2.01 0.00 -0.16 6.66 0.87 0.11 0.60 113.55 123.63 1u3o h SER 72 Ca -0.47 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1u3o h SER 72 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1u3o h SER 72 CO 0.66 0.00 0.11 -1.28 -0.53 0.00 0.00 176.83 175.79 1u3o h SER 73 N 0.00 0.16 -0.35 6.23 0.87 -1.93 -1.20 113.55 117.33 1u3o h SER 73 Ca 0.47 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1u3o h SER 73 Cb 2.23 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 64.15 1u3o h SER 73 CO -0.00 0.11 0.00 0.35 -0.53 0.00 0.00 176.83 176.76 1u3o n THR 74 N -4.51 0.63 -4.33 2.23 -2.24 0.21 -4.53 114.28 101.73 1u3o n THR 74 Ca -0.00 -0.82 -0.21 0.00 -2.27 0.00 0.00 64.05 60.75 1u3o n THR 74 Cb 0.10 0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.17 1.59 0.00 3.22 1.02 -0.45 -0.18 118.68 122.71 1u3o s LEU 75 Ca 0.30 -0.18 -0.34 0.00 0.02 0.00 0.00 54.13 53.93 1u3o s LEU 75 Cb 0.17 -0.55 -0.13 0.00 0.02 0.00 0.00 46.19 45.71 1u3o s LEU 75 CO 0.24 0.01 1.76 0.00 0.02 0.00 0.00 176.35 178.37 1u3o n ILE 77 N 4.44 0.00 -3.50 0.00 -0.00 -1.26 -4.72 119.36 114.33 1u3o n ILE 77 Ca 0.21 -1.08 -0.42 0.00 -0.00 0.00 0.00 62.75 61.45 1u3o n ILE 77 Cb 0.29 0.48 -0.10 0.00 -0.00 0.00 0.00 39.64 40.30 1u3o n ILE 77 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 1u3o s SER 78 N -2.08 6.03 -1.01 7.28 1.04 -1.26 -5.01 113.70 118.69 1u3o s SER 78 Ca 0.14 -0.84 -0.23 0.00 0.48 0.00 0.00 55.95 55.50 1u3o s SER 78 Cb 0.01 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 1u3o s SER 78 CO 0.10 -0.40 1.79 -1.38 0.98 0.00 0.00 173.24 174.33 1u3o s HIS 79 N 1.66 2.11 -2.96 5.02 -3.43 -1.26 -5.24 115.29 111.18 1u3o s HIS 79 Ca 0.05 0.02 0.24 0.00 -0.80 0.00 0.00 55.06 54.56 1u3o s HIS 79 Cb -0.19 -4.27 0.19 0.00 -1.43 0.00 0.00 32.58 26.88 1u3o s HIS 79 CO 0.09 -1.72 1.25 0.43 -2.00 0.00 0.00 174.74 172.80