#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3o s GLY 15 N 0.00 2.19 -0.06 0.23 0.00 -1.26 -5.10 107.32 103.31 1u3o s GLY 15 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 1u3o s GLY 15 CO 0.00 -0.68 0.02 -0.32 0.00 0.00 0.00 173.10 172.12 1u3o s GLY 16 N -2.51 1.89 -0.13 0.20 0.00 -1.26 -5.08 107.32 100.43 1u3o s GLY 16 Ca 0.38 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 1u3o s GLY 16 CO 0.27 -0.63 -0.06 0.00 0.00 0.00 0.00 173.10 172.68 1u3o s GLU 18 N 0.12 0.97 0.04 0.00 2.12 -0.90 -4.93 118.70 116.12 1u3o s GLU 18 Ca -0.02 -1.03 -0.30 0.00 0.36 0.00 0.00 54.97 53.97 1u3o s GLU 18 Cb -0.14 -1.09 -0.05 0.00 0.26 0.00 0.00 34.13 33.11 1u3o s GLU 18 CO 0.03 0.25 1.10 -0.51 -0.54 0.00 0.00 175.26 175.59 1u3o s LEU 19 N -1.77 4.38 0.03 2.70 1.43 -1.26 0.14 118.68 124.34 1u3o s LEU 19 Ca 0.02 1.87 -0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1u3o s LEU 19 Cb -0.10 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1u3o s LEU 19 CO 0.03 -0.37 -0.04 0.28 0.23 0.00 0.00 176.35 176.49 1u3o s THR 20 N 0.97 0.21 -0.15 5.49 -1.32 -0.39 -4.83 115.64 115.62 1u3o s THR 20 Ca 0.55 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 1u3o s THR 20 Cb -0.26 -0.76 -0.00 0.00 -1.51 0.00 0.00 72.50 69.97 1u3o s THR 20 CO 0.29 -0.67 -0.15 0.68 -2.21 0.00 0.00 174.62 172.56 1u3o s VAL 21 N -2.34 2.70 0.05 5.08 -7.23 -1.26 -0.41 120.40 116.99 1u3o s VAL 21 Ca -0.07 -0.77 -0.31 0.00 -1.81 0.00 0.00 61.98 59.03 1u3o s VAL 21 Cb -0.04 -2.13 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 1u3o s VAL 21 CO -0.04 0.52 1.49 0.68 -0.31 0.00 0.00 175.10 177.44 1u3o s VAL 22 N 0.69 3.37 -0.22 1.32 -7.23 -1.17 -0.97 120.40 116.19 1u3o s VAL 22 Ca -0.07 0.84 0.24 0.00 -1.81 0.00 0.00 61.98 61.18 1u3o s VAL 22 Cb -0.16 -3.54 0.30 0.00 0.56 0.00 0.00 36.38 33.54 1u3o s VAL 22 CO 0.02 0.01 1.69 -0.07 -0.31 0.00 0.00 175.10 176.44 1u3o h LEU 23 N 8.08 0.00 -7.92 1.32 3.38 -1.27 -1.84 115.31 117.06 1u3o h LEU 23 Ca -0.40 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1u3o h LEU 23 Cb 1.19 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 1u3o h LEU 23 CO 0.91 0.10 -0.50 0.00 0.09 0.00 0.00 178.44 179.03 1u3o s GLN 24 N -3.32 0.65 0.45 1.13 1.03 -1.25 -4.77 119.66 113.59 1u3o s GLN 24 Ca 0.05 -0.85 -0.23 0.00 0.04 0.00 0.00 55.36 54.36 1u3o s GLN 24 Cb 0.07 0.26 -0.08 0.00 0.03 0.00 0.00 33.01 33.28 1u3o s GLN 24 CO 0.65 -0.17 1.12 -0.51 -2.54 0.00 0.00 175.29 173.84 1u3o s ASP 25 N -2.39 6.33 0.03 12.60 1.01 -1.26 -4.01 116.67 128.98 1u3o s ASP 25 Ca -0.01 2.20 -0.07 0.00 0.71 0.00 0.00 52.55 55.38 1u3o s ASP 25 Cb 0.01 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 1u3o s ASP 25 CO -0.07 -0.80 0.15 0.12 0.21 0.00 0.00 175.17 174.78 1u3o s PHE 26 N -1.61 0.11 -0.03 4.23 5.36 -0.30 -4.90 117.98 120.84 1u3o s PHE 26 Ca 0.63 -0.33 0.04 0.00 -0.96 0.00 0.00 56.93 56.31 1u3o s PHE 26 Cb -0.26 -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 -0.16 -1.54 -1.46 0.00 0.00 175.22 172.00 1u3o s SER 27 N -1.95 1.97 0.79 6.13 1.04 -1.26 0.12 113.70 120.54 1u3o s SER 27 Ca -0.07 -0.31 -0.07 0.00 0.48 0.00 0.00 55.95 55.97 1u3o s SER 27 Cb -0.03 -0.40 0.11 0.00 0.10 0.00 0.00 66.02 65.81 1u3o s SER 27 CO -0.03 0.17 0.25 0.00 0.98 0.00 0.00 173.24 174.61 1u3o n ALA 28 N 2.95 -1.55 0.00 5.32 0.00 -1.10 -4.82 120.51 121.31 1u3o n ALA 28 Ca -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1u3o n ALA 28 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.21 0.00 -2.23 0.00 0.00 -1.26 -4.92 120.51 108.89 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 0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 1.49 0.00 0.00 5.04 -1.26 -5.00 115.29 115.55 1u3o s HIS 30 Ca 0.00 -0.79 0.00 0.00 -1.54 0.00 0.00 55.06 52.73 1u3o s HIS 30 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 32.58 30.57 1u3o s HIS 30 CO 0.00 -0.81 0.66 0.45 -2.34 0.00 0.00 174.74 172.70 1u3o n SER 31 N -2.00 0.00 -2.23 9.88 2.88 -1.26 -2.03 113.62 118.86 1u3o n SER 31 Ca 0.07 0.66 -0.24 0.00 -1.33 0.00 0.00 58.87 58.03 1u3o n SER 31 Cb 0.63 -0.16 0.01 0.00 -0.75 0.00 0.00 64.21 63.94 1u3o n SER 31 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1u3o n SER 32 N -1.60 6.72 -4.91 -3.46 7.64 -1.26 -4.94 113.62 111.81 1u3o n SER 32 Ca 0.00 -3.27 -0.28 0.00 1.01 0.00 0.00 58.87 56.33 1u3o n SER 32 Cb 0.00 -1.11 -0.04 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 -2.21 3.35 0.16 1.43 2.02 -0.86 -2.50 118.70 120.09 1u3o s GLU 33 Ca 0.47 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.79 1u3o s GLU 33 Cb 0.34 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1u3o s GLU 33 CO -0.11 0.56 0.32 -0.48 0.02 0.00 0.00 175.26 175.57 1u3o s LEU 34 N -2.86 0.83 -0.08 1.80 0.05 -1.25 -4.67 118.68 112.50 1u3o s LEU 34 Ca 0.34 -0.75 -0.19 0.00 0.05 0.00 0.00 54.13 53.58 1u3o s LEU 34 Cb -0.12 1.38 -0.04 0.00 -2.05 0.00 0.00 46.19 45.36 1u3o s LEU 34 CO 0.27 -0.90 0.54 -0.94 -0.55 0.00 0.00 176.35 174.77 1u3o s SER 35 N -2.93 6.80 0.36 1.48 1.04 -1.26 -2.72 113.70 116.47 1u3o s SER 35 Ca 0.14 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.55 1u3o s SER 35 Cb 0.03 -2.32 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 1u3o s SER 35 CO -0.02 0.02 0.10 0.27 0.98 0.00 0.00 173.24 174.58 1u3o s ILE 36 N 0.41 0.78 0.06 -1.02 -5.25 0.33 -4.94 121.20 111.57 1u3o s ILE 36 Ca 0.29 -2.00 0.03 0.00 -0.99 0.00 0.00 60.65 57.98 1u3o s ILE 36 Cb -0.16 -2.54 -0.03 0.00 2.95 0.00 0.00 42.46 42.68 1u3o s ILE 36 CO 0.13 0.00 -0.09 -1.10 -1.79 0.00 0.00 174.94 172.09 1u3o s GLN 37 N -3.82 0.65 -0.16 0.37 -0.21 -1.26 -1.14 119.66 114.09 1u3o s GLN 37 Ca 0.30 -0.90 -0.29 0.00 0.02 0.00 0.00 55.36 54.49 1u3o s GLN 37 Cb 0.05 -0.41 -0.04 0.00 1.00 0.00 0.00 33.01 33.62 1u3o s GLN 37 CO 0.15 0.07 1.71 0.54 -2.12 0.00 0.00 175.29 175.64 1u3o s VAL 38 N -1.72 3.55 0.00 1.09 0.11 -1.26 -3.05 120.40 119.12 1u3o s VAL 38 Ca -0.04 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1u3o s VAL 38 Cb -0.08 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1u3o s VAL 38 CO 0.00 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 1u3o n GLY 39 N 4.64 1.95 3.91 6.54 0.00 -0.69 -4.93 105.19 116.60 1u3o n GLY 39 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.84 -0.17 1.61 -2.07 -1.17 -4.90 119.66 114.81 1u3o s GLN 40 Ca 0.00 -0.00 0.01 0.00 -1.82 0.00 0.00 55.36 53.55 1u3o s GLN 40 Cb 0.00 -1.97 0.02 0.00 -1.09 0.00 0.00 33.01 29.97 1u3o s GLN 40 CO 0.00 -1.64 -0.19 0.99 -1.32 0.00 0.00 175.29 173.12 1u3o s THR 41 N -3.57 1.97 -0.03 3.63 2.01 -1.26 -3.02 115.64 115.37 1u3o s THR 41 Ca 0.63 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 1u3o s THR 41 Cb -0.10 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1u3o s THR 41 CO 0.49 0.53 0.07 -0.69 -0.69 0.00 0.00 174.62 174.33 1u3o s VAL 42 N 1.23 -0.00 -0.10 3.82 1.01 0.45 -4.96 120.40 121.84 1u3o s VAL 42 Ca 0.03 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1u3o s VAL 42 Cb -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1u3o s VAL 42 CO -0.10 0.00 1.07 -1.83 0.00 0.00 0.00 175.10 174.24 1u3o s GLU 43 N 0.09 4.38 0.49 2.72 -1.05 0.72 -1.26 118.70 124.80 1u3o s GLU 43 Ca -0.00 1.48 -0.22 0.00 -0.15 0.00 0.00 54.97 56.08 1u3o s GLU 43 Cb -0.01 -3.56 -0.07 0.00 -0.44 0.00 0.00 34.13 30.05 1u3o s GLU 43 CO -0.00 -0.39 1.15 -0.48 0.95 0.00 0.00 175.26 176.49 1u3o s LEU 44 N 2.22 3.91 -0.07 1.83 0.05 0.38 0.14 118.68 127.13 1u3o s LEU 44 Ca 0.50 2.26 -0.09 0.00 0.05 0.00 0.00 54.13 56.85 1u3o s LEU 44 Cb -0.20 -4.37 -0.05 0.00 -2.05 0.00 0.00 46.19 39.52 1u3o s LEU 44 CO 0.18 -1.03 0.36 -0.07 -0.55 0.00 0.00 176.35 175.23 1u3o h LEU 45 N 1.73 -0.22 0.00 1.48 3.38 -1.83 -2.40 115.31 117.45 1u3o h LEU 45 Ca -0.50 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1u3o h LEU 45 Cb 1.25 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1u3o h LEU 45 CO 0.59 0.27 0.00 -1.84 0.09 0.00 0.00 178.44 177.55 1u3o n GLU 46 N -4.94 2.06 -4.25 1.13 0.28 -1.26 -4.02 120.64 109.64 1u3o n GLU 46 Ca -0.04 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.82 1u3o n GLU 46 Cb 0.13 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 1.52 1.26 -0.54 3.44 1.81 -1.26 -4.58 118.95 120.60 1u3o s ARG 47 Ca 0.00 -1.67 -0.05 0.00 -1.72 0.00 0.00 55.73 52.30 1u3o s ARG 47 Cb 0.00 -0.01 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 1u3o s ARG 47 CO 0.00 -0.32 1.67 -2.30 -0.68 0.00 0.00 175.30 173.67 1u3o n PRO 48 N -0.34 1.22 -0.05 3.54 -0.02 -1.26 -4.37 135.00 133.72 1u3o n PRO 48 Ca -0.00 -1.10 -0.19 0.00 -2.02 0.00 0.00 63.50 60.19 1u3o n PRO 48 Cb 0.66 -2.30 -0.13 0.00 -0.02 0.00 0.00 33.50 31.71 1u3o n PRO 48 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1u3o h SER 49 N 7.11 0.16 0.38 2.55 0.02 -1.96 -3.38 113.55 118.43 1u3o h SER 49 Ca 0.30 -0.79 -0.32 0.00 -0.84 0.00 0.00 61.79 60.14 1u3o h SER 49 Cb 0.13 -0.05 0.03 0.00 0.14 0.00 0.00 62.40 62.65 1u3o h SER 49 CO 1.31 1.39 -1.40 1.05 -1.14 0.00 0.00 176.83 178.05 1u3o h GLU 50 N -0.72 0.46 -4.23 3.45 4.11 -2.02 -3.45 114.58 112.18 1u3o h GLU 50 Ca -0.22 -0.78 -0.34 0.00 0.07 0.00 0.00 59.36 58.09 1u3o h GLU 50 Cb 1.40 0.29 -0.30 0.00 0.50 0.00 0.00 28.75 30.64 1u3o h GLU 50 CO -0.04 1.37 -0.76 -0.98 0.07 0.00 0.00 179.01 178.68 1u3o s ARG 51 N -2.64 0.49 -0.44 1.06 1.70 -1.26 -5.12 118.95 112.74 1u3o s ARG 51 Ca -0.07 -0.16 -0.17 0.00 -0.47 0.00 0.00 55.73 54.86 1u3o s ARG 51 Cb 0.05 -0.49 0.03 0.00 -0.57 0.00 0.00 34.95 33.97 1u3o s ARG 51 CO 0.93 0.07 0.44 -1.25 -1.08 0.00 0.00 175.30 174.40 1u3o s PRO 52 N 0.13 3.07 0.00 3.89 0.04 -1.26 -4.14 135.00 136.73 1u3o s PRO 52 Ca -0.01 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.14 1u3o s PRO 52 Cb -0.05 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1u3o s PRO 52 CO -0.00 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1u3o n GLY 53 N 5.14 0.73 3.84 0.56 0.00 -1.26 -5.07 105.19 109.12 1u3o n GLY 53 Ca -0.08 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 -0.35 2.98 0.07 1.61 1.48 -1.26 0.20 118.94 123.68 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 -1.63 0.06 0.00 -1.16 0.00 0.00 33.47 30.74 1u3o s TRP 54 CO 0.00 0.33 0.59 0.00 -4.06 0.00 0.00 176.95 173.80 1u3o s LEU 56 N -2.15 3.27 -0.06 0.00 1.02 -1.26 -1.02 118.68 118.48 1u3o s LEU 56 Ca -0.04 -0.58 -0.01 0.00 0.02 0.00 0.00 54.13 53.52 1u3o s LEU 56 Cb -0.00 -1.81 0.03 0.00 0.02 0.00 0.00 46.19 44.43 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 -2.24 0.25 0.06 -1.59 -7.23 -0.77 -3.69 120.40 105.18 1u3o s VAL 57 Ca 0.31 0.18 0.08 0.00 -1.81 0.00 0.00 61.98 60.74 1u3o s VAL 57 Cb -0.07 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 1u3o s VAL 57 CO 0.20 0.23 -0.23 -0.60 -0.31 0.00 0.00 175.10 174.39 1u3o s ARG 58 N 1.84 1.47 -0.10 4.82 3.52 0.36 0.22 118.95 131.07 1u3o s ARG 58 Ca 0.02 -1.04 0.02 0.00 -0.13 0.00 0.00 55.73 54.60 1u3o s ARG 58 Cb -0.12 -1.64 -0.01 0.00 -1.56 0.00 0.00 34.95 31.61 1u3o s ARG 58 CO -0.04 0.42 -0.16 -0.08 -0.81 0.00 0.00 175.30 174.62 1u3o s THR 59 N -0.86 2.80 -0.11 4.11 -1.32 0.12 -0.20 115.64 120.18 1u3o s THR 59 Ca 0.09 -0.77 0.04 0.00 -1.21 0.00 0.00 61.69 59.84 1u3o s THR 59 Cb -0.09 -2.13 -0.05 0.00 -1.51 0.00 0.00 72.50 68.71 1u3o s THR 59 CO 0.02 0.55 0.13 0.35 -2.21 0.00 0.00 174.62 173.47 1u3o n THR 60 N 3.20 0.00 0.59 5.08 -2.24 -1.26 -1.91 114.28 117.75 1u3o n THR 60 Ca -0.18 -0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.37 1u3o n THR 60 Cb 0.53 0.73 0.15 0.00 -2.10 0.00 0.00 70.33 69.64 1u3o n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u3o n GLU 61 N -1.34 2.20 -3.54 -0.78 1.02 -1.26 -4.53 120.64 112.41 1u3o n GLU 61 Ca 0.00 -1.22 -0.29 0.00 -0.02 0.00 0.00 57.16 55.63 1u3o n GLU 61 Cb 0.08 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 1u3o n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u3o s ARG 62 N -1.66 0.36 -0.09 3.49 0.52 -1.26 -5.12 118.95 115.18 1u3o s ARG 62 Ca 0.22 -0.84 -0.27 0.00 -0.52 0.00 0.00 55.73 54.32 1u3o s ARG 62 Cb 0.14 -1.30 -0.02 0.00 0.52 0.00 0.00 34.95 34.30 1u3o s ARG 62 CO 0.10 -1.08 0.90 -1.12 0.02 0.00 0.00 175.30 174.13 1u3o s SER 63 N 1.72 7.15 0.43 0.23 0.01 -1.26 -1.88 113.70 120.10 1u3o s SER 63 Ca 0.12 1.40 -0.22 0.00 1.31 0.00 0.00 55.95 58.57 1u3o s SER 63 Cb -0.18 -2.51 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 1u3o s SER 63 CO -0.24 -0.33 0.98 -2.16 0.41 0.00 0.00 173.24 171.89 1u3o s PRO 64 N 1.61 4.15 1.09 12.44 0.04 -1.26 -5.14 135.00 147.93 1u3o s PRO 64 Ca 0.45 1.24 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1u3o s PRO 64 Cb -0.18 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.15 1u3o s PRO 64 CO 0.19 -0.11 -0.31 -2.30 0.04 0.00 0.00 177.00 174.50 1u3o n PRO 65 N -0.55 -1.34 -3.95 0.56 -0.02 -0.79 -5.02 135.00 123.88 1u3o n PRO 65 Ca 0.07 -0.38 -0.09 0.00 -2.02 0.00 0.00 63.50 61.07 1u3o n PRO 65 Cb 0.53 -1.53 -0.10 0.00 -0.02 0.00 0.00 33.50 32.37 1u3o n PRO 65 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1u3o s GLN 66 N -3.14 0.47 0.04 -0.52 0.74 -0.80 -4.93 119.66 111.52 1u3o s GLN 66 Ca 0.50 -0.68 0.05 0.00 0.05 0.00 0.00 55.36 55.28 1u3o s GLN 66 Cb -0.06 0.18 -0.02 0.00 1.10 0.00 0.00 33.01 34.20 1u3o s GLN 66 CO 0.64 -0.10 -0.14 -1.21 -0.55 0.00 0.00 175.29 173.93 1u3o s GLU 67 N -2.08 0.91 0.28 1.67 2.02 -1.26 0.14 118.70 120.38 1u3o s GLU 67 Ca -0.10 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.15 1u3o s GLU 67 Cb -0.05 -0.91 -0.03 0.00 0.10 0.00 0.00 34.13 33.25 1u3o s GLU 67 CO -0.03 0.22 0.26 0.20 0.02 0.00 0.00 175.26 175.94 1u3o s GLY 68 N -1.19 1.85 -0.10 -1.39 0.00 0.60 -3.76 107.32 103.33 1u3o s GLY 68 Ca 0.01 -1.83 -0.06 0.00 0.00 0.00 0.00 44.72 42.84 1u3o s GLY 68 CO 0.01 -1.35 0.24 1.08 0.00 0.00 0.00 173.10 173.08 1u3o s LEU 69 N -3.27 0.63 0.35 0.66 1.02 -1.26 -1.84 118.68 114.97 1u3o s LEU 69 Ca 0.38 0.50 -0.18 0.00 0.02 0.00 0.00 54.13 54.86 1u3o s LEU 69 Cb 0.03 0.75 0.05 0.00 0.02 0.00 0.00 46.19 47.04 1u3o s LEU 69 CO 0.21 -0.14 0.78 0.68 0.02 0.00 0.00 176.35 177.90 1u3o s VAL 70 N 0.92 0.00 0.27 -1.59 -7.23 -0.19 -4.88 120.40 107.71 1u3o s VAL 70 Ca -0.06 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.02 1u3o s VAL 70 Cb -0.08 -2.60 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 1u3o s VAL 70 CO -0.06 0.00 0.62 -2.16 -0.31 0.00 0.00 175.10 173.19 1u3o s PRO 71 N -2.81 3.83 0.56 4.82 0.04 -1.26 0.18 135.00 140.37 1u3o s PRO 71 Ca 0.14 0.36 0.39 0.00 0.04 0.00 0.00 61.00 61.94 1u3o s PRO 71 Cb -0.05 -2.57 1.51 0.00 0.04 0.00 0.00 34.50 33.43 1u3o s PRO 71 CO 0.10 0.24 1.66 1.03 0.04 0.00 0.00 177.00 180.06 1u3o h SER 72 N 2.27 0.00 -0.34 6.66 0.87 0.21 0.66 113.55 123.89 1u3o h SER 72 Ca -0.47 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.13 1u3o h SER 72 Cb 1.17 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1u3o h SER 72 CO 0.67 0.00 0.23 0.28 -0.53 0.00 0.00 176.83 177.48 1u3o h SER 73 N 0.00 0.25 -0.55 6.23 0.02 -1.93 -0.52 113.55 117.06 1u3o h SER 73 Ca 0.64 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 1u3o h SER 73 Cb 2.76 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 65.25 1u3o h SER 73 CO -0.01 0.17 0.00 0.35 -1.14 0.00 0.00 176.83 176.21 1u3o n THR 74 N -4.48 1.01 -3.97 -2.27 -2.24 0.23 -4.52 114.28 98.03 1u3o n THR 74 Ca 0.03 -1.00 -0.17 0.00 -2.27 0.00 0.00 64.05 60.64 1u3o n THR 74 Cb 0.20 0.49 -0.16 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.01 1.22 -0.14 3.22 1.02 -0.20 -0.94 118.68 121.85 1u3o s LEU 75 Ca 0.37 -0.04 -0.29 0.00 0.02 0.00 0.00 54.13 54.18 1u3o s LEU 75 Cb 0.19 -0.26 -0.07 0.00 0.02 0.00 0.00 46.19 46.08 1u3o s LEU 75 CO 0.25 -0.09 2.14 0.00 0.02 0.00 0.00 176.35 178.67 1u3o s ILE 77 N 7.01 2.97 -0.09 0.00 -5.25 -1.26 -4.64 121.20 119.94 1u3o s ILE 77 Ca 0.97 -1.86 0.09 0.00 -0.99 0.00 0.00 60.65 58.86 1u3o s ILE 77 Cb -0.39 -2.86 -0.13 0.00 2.95 0.00 0.00 42.46 42.03 1u3o s ILE 77 CO 0.38 -0.24 0.06 -1.20 -1.79 0.00 0.00 174.94 172.15 1u3o n SER 78 N -1.01 2.60 -1.24 4.36 7.64 -1.26 -5.13 113.62 119.59 1u3o n SER 78 Ca -0.04 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.97 1u3o n SER 78 Cb 0.61 0.84 -0.08 0.00 -1.01 0.00 0.00 64.21 64.57 1u3o n SER 78 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1u3o n HIS 79 N -2.29 -3.34 0.00 1.43 8.25 -1.26 -5.29 115.22 112.72 1u3o n HIS 79 Ca -0.14 1.85 0.00 0.00 -0.26 0.00 0.00 57.72 59.17 1u3o n HIS 79 Cb 0.74 -3.03 0.00 0.00 1.12 0.00 0.00 29.99 28.83 1u3o n HIS 79 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85