#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1txy s ASN 3 N 0.00 -1.50 -0.10 8.00 3.04 -1.26 -5.14 114.94 117.99 1txy s ASN 3 Ca 0.00 -0.56 -0.04 0.00 0.04 0.00 0.00 52.86 52.30 1txy s ASN 3 Cb 0.00 1.95 0.05 0.00 -1.54 0.00 0.00 41.25 41.72 1txy s ASN 3 CO 0.00 -0.20 0.19 -0.60 -3.04 0.00 0.00 177.10 173.45 1txy s ARG 4 N 2.08 0.07 -0.09 0.43 3.52 -1.26 -4.38 118.95 119.32 1txy s ARG 4 Ca 0.15 0.63 0.03 0.00 -0.13 0.00 0.00 55.73 56.40 1txy s ARG 4 Cb -0.06 -0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.13 1txy s ARG 4 CO -0.12 -0.30 -0.19 -1.17 -0.81 0.00 0.00 175.30 172.72 1txy s LEU 5 N 2.33 2.42 -0.15 -0.88 2.96 0.54 -4.98 118.68 120.92 1txy s LEU 5 Ca 0.02 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1txy s LEU 5 Cb -0.12 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1txy s LEU 5 CO -0.07 0.22 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.30 1txy s VAL 6 N 0.01 1.95 -0.05 1.68 1.01 -1.26 -1.25 120.40 122.48 1txy s VAL 6 Ca -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1txy s VAL 6 Cb -0.15 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.52 1txy s VAL 6 CO 0.05 0.53 0.10 -0.22 0.00 0.00 0.00 175.10 175.55 1txy s LEU 7 N 1.08 0.36 0.29 3.92 2.96 -0.40 -4.99 118.68 121.89 1txy s LEU 7 Ca -0.01 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1txy s LEU 7 Cb -0.14 0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.61 1txy s LEU 7 CO -0.07 -0.21 0.44 -0.44 -1.32 0.00 0.00 176.35 174.76 1txy s SER 8 N 1.82 6.31 0.00 3.68 0.01 -1.26 -1.32 113.70 122.93 1txy s SER 8 Ca -0.01 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.50 1txy s SER 8 Cb -0.12 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1txy s SER 8 CO -0.04 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1txy n GLY 9 N -1.56 -1.02 3.37 3.44 0.00 -0.51 -4.51 105.19 104.41 1txy n GLY 9 Ca -0.07 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 1txy n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1txy s THR 10 N -3.00 2.88 0.05 2.61 2.01 0.31 -1.79 115.64 118.70 1txy s THR 10 Ca 0.00 -0.75 -0.31 0.00 0.31 0.00 0.00 61.69 60.95 1txy s THR 10 Cb 0.00 -2.17 -0.08 0.00 0.01 0.00 0.00 72.50 70.27 1txy s THR 10 CO 0.00 0.55 1.62 -0.69 -0.69 0.00 0.00 174.62 175.41 1txy s VAL 11 N 0.04 3.18 -0.86 3.82 1.01 0.50 -0.15 120.40 127.93 1txy s VAL 11 Ca -0.06 0.59 0.10 0.00 0.00 0.00 0.00 61.98 62.62 1txy s VAL 11 Cb -0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1txy s VAL 11 CO 0.05 -0.01 0.61 0.00 0.00 0.00 0.00 175.10 175.74 1txy s ARG 13 N -1.44 0.02 0.65 0.00 3.52 -1.20 -4.95 118.95 115.55 1txy s ARG 13 Ca 0.08 0.48 -0.18 0.00 -0.13 0.00 0.00 55.73 55.98 1txy s ARG 13 Cb 0.08 -0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.17 1txy s ARG 13 CO 0.27 -0.28 1.27 0.00 -0.81 0.00 0.00 175.30 175.76 1txy s ALA 14 N 2.00 2.35 -0.23 6.12 0.00 -1.26 -2.84 121.76 127.90 1txy s ALA 14 Ca 0.00 1.15 -0.32 0.00 0.00 0.00 0.00 51.96 52.80 1txy s ALA 14 Cb -0.12 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1txy s ALA 14 CO -0.05 -1.60 2.14 -2.30 0.00 0.00 0.00 175.76 173.95 1txy n PRO 15 N -1.99 1.75 -2.50 0.00 -0.02 -1.26 -4.66 135.00 126.32 1txy n PRO 15 Ca 0.15 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1txy n PRO 15 Cb 0.49 -2.85 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 1txy n PRO 15 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1txy s LEU 16 N 7.00 4.25 0.05 2.45 2.96 -0.01 -4.90 118.68 130.48 1txy s LEU 16 Ca 1.02 1.74 0.09 0.00 -0.22 0.00 0.00 54.13 56.76 1txy s LEU 16 Cb -0.58 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.52 1txy s LEU 16 CO 0.43 -0.59 -0.26 -0.13 -1.32 0.00 0.00 176.35 174.49 1txy s ARG 17 N 2.38 1.80 0.21 1.98 0.52 -1.26 -0.66 118.95 123.93 1txy s ARG 17 Ca 0.54 -1.11 -0.19 0.00 -0.52 0.00 0.00 55.73 54.44 1txy s ARG 17 Cb -0.23 -1.99 0.03 0.00 0.52 0.00 0.00 34.95 33.28 1txy s ARG 17 CO 0.20 0.51 0.59 -1.59 0.02 0.00 0.00 175.30 175.03 1txy s LYS 18 N -1.29 1.46 -0.03 3.54 -2.85 -0.23 -5.02 119.74 115.31 1txy s LYS 18 Ca 0.12 -0.82 0.04 0.00 -1.00 0.00 0.00 55.97 54.31 1txy s LYS 18 Cb -0.10 0.56 -0.00 0.00 -2.06 0.00 0.00 37.83 36.22 1txy s LYS 18 CO 0.02 -0.64 -0.15 0.08 0.10 0.00 0.00 175.35 174.77 1txy s VAL 19 N -3.86 1.21 0.76 1.79 1.01 -1.26 0.33 120.40 120.38 1txy s VAL 19 Ca 0.08 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1txy s VAL 19 Cb -0.02 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.36 1txy s VAL 19 CO -0.02 0.35 1.09 -0.94 0.00 0.00 0.00 175.10 175.58 1txy s SER 20 N 0.00 4.87 0.27 3.32 1.04 -0.13 -4.89 113.70 118.17 1txy s SER 20 Ca -0.02 1.38 -0.00 0.00 0.48 0.00 0.00 55.95 57.79 1txy s SER 20 Cb -0.10 -2.16 0.54 0.00 0.10 0.00 0.00 66.02 64.40 1txy s SER 20 CO 0.01 -1.74 1.79 -0.65 0.98 0.00 0.00 173.24 173.63 1txy h PRO 21 N -0.93 0.72 0.00 4.02 0.11 -2.01 0.08 132.00 134.00 1txy h PRO 21 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1txy h PRO 21 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1txy h PRO 21 CO 0.59 0.48 0.00 -1.13 -0.21 0.00 0.00 178.00 177.73 1txy n SER 22 N -4.79 0.00 0.00 -2.05 3.41 -1.26 -4.84 113.62 104.09 1txy n SER 22 Ca 0.18 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1txy n SER 22 Cb 0.41 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1txy n SER 22 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1txy n GLY 23 N 0.04 0.83 3.57 5.00 0.00 0.02 -5.07 105.19 109.59 1txy n GLY 23 Ca 0.09 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1txy n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1txy s ILE 24 N -2.00 5.12 0.31 -0.61 1.01 -1.25 -4.83 121.20 118.95 1txy s ILE 24 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 1txy s ILE 24 Cb 0.00 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 1txy s ILE 24 CO 0.00 -0.05 1.12 -2.16 0.00 0.00 0.00 174.94 173.85 1txy s PRO 25 N 2.16 4.52 -0.01 2.79 0.04 -1.26 -0.96 135.00 142.28 1txy s PRO 25 Ca 0.15 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1txy s PRO 25 Cb -0.16 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 1txy s PRO 25 CO 0.12 0.10 -0.08 -1.01 0.04 0.00 0.00 177.00 176.16 1txy s HIS 26 N -1.22 0.75 -0.05 0.56 3.76 0.15 -2.05 115.29 117.19 1txy s HIS 26 Ca 0.47 -0.15 0.01 0.00 -0.15 0.00 0.00 55.06 55.25 1txy s HIS 26 Cb -0.32 -0.49 0.02 0.00 1.11 0.00 0.00 32.58 32.90 1txy s HIS 26 CO 0.41 -0.02 -0.05 0.00 -0.85 0.00 0.00 174.74 174.23 1txy s GLN 28 N 0.86 1.97 0.31 0.00 -0.21 0.17 -0.32 119.66 122.44 1txy s GLN 28 Ca -0.12 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 54.82 1txy s GLN 28 Cb -0.15 -1.64 -0.03 0.00 1.00 0.00 0.00 33.01 32.20 1txy s GLN 28 CO 0.01 -0.00 0.29 -0.59 -2.12 0.00 0.00 175.29 172.87 1txy s PHE 29 N 0.80 1.59 -0.06 0.91 -0.12 -0.63 -0.83 117.98 119.64 1txy s PHE 29 Ca -0.11 -1.58 0.06 0.00 -0.05 0.00 0.00 56.93 55.25 1txy s PHE 29 Cb -0.16 -0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 41.62 1txy s PHE 29 CO 0.02 -0.88 -0.23 0.08 -0.05 0.00 0.00 175.22 174.16 1txy s VAL 30 N -3.49 1.91 -0.24 -2.49 1.01 -1.13 -0.35 120.40 115.62 1txy s VAL 30 Ca 0.39 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1txy s VAL 30 Cb 0.03 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1txy s VAL 30 CO 0.25 0.53 -0.01 -0.22 0.00 0.00 0.00 175.10 175.65 1txy s LEU 31 N -0.09 3.12 -0.38 3.92 2.96 -1.26 -1.31 118.68 125.64 1txy s LEU 31 Ca -0.04 -0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 53.24 1txy s LEU 31 Cb -0.13 -1.78 0.01 0.00 0.50 0.00 0.00 46.19 44.78 1txy s LEU 31 CO 0.04 -0.05 0.55 -0.70 -1.32 0.00 0.00 176.35 174.87 1txy s GLU 32 N 1.49 3.51 -0.16 1.98 2.12 0.78 -4.26 118.70 124.16 1txy s GLU 32 Ca 0.05 -0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.08 1txy s GLU 32 Cb -0.15 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1txy s GLU 32 CO -0.02 -0.76 0.10 -1.58 -0.54 0.00 0.00 175.26 172.46 1txy s HIS 33 N 2.52 3.38 -0.04 5.30 5.65 0.13 -0.53 115.29 131.69 1txy s HIS 33 Ca 0.20 0.28 -0.02 0.00 0.25 0.00 0.00 55.06 55.77 1txy s HIS 33 Cb -0.15 -2.05 0.03 0.00 -1.18 0.00 0.00 32.58 29.23 1txy s HIS 33 CO 0.15 0.37 0.10 -0.98 -0.65 0.00 0.00 174.74 173.73 1txy s ARG 34 N -0.09 0.07 0.14 2.88 1.70 -1.26 -1.72 118.95 120.67 1txy s ARG 34 Ca 0.08 0.24 -0.25 0.00 -0.47 0.00 0.00 55.73 55.33 1txy s ARG 34 Cb -0.12 -0.10 0.07 0.00 -0.57 0.00 0.00 34.95 34.23 1txy s ARG 34 CO 0.01 -0.11 1.00 -1.54 -1.08 0.00 0.00 175.30 173.58 1txy s SER 35 N 0.71 -0.15 -0.17 -2.89 1.04 -0.67 -5.01 113.70 106.55 1txy s SER 35 Ca -0.05 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 55.92 1txy s SER 35 Cb -0.07 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1txy s SER 35 CO -0.03 -0.84 0.02 0.54 0.98 0.00 0.00 173.24 173.90 1txy s VAL 36 N -3.12 4.36 0.25 5.02 0.11 -1.26 -0.41 120.40 125.35 1txy s VAL 36 Ca 0.13 -0.19 0.11 0.00 -2.93 0.00 0.00 61.98 59.11 1txy s VAL 36 Cb -0.01 -2.95 -0.05 0.00 -1.53 0.00 0.00 36.38 31.85 1txy s VAL 36 CO 0.02 0.47 -0.16 -1.10 -3.33 0.00 0.00 175.10 171.00 1txy s GLN 37 N 0.44 1.82 -0.13 1.54 -1.52 0.45 -4.93 119.66 117.32 1txy s GLN 37 Ca 0.00 -1.58 -0.10 0.00 -1.95 0.00 0.00 55.36 51.73 1txy s GLN 37 Cb -0.13 -1.91 -0.05 0.00 -0.22 0.00 0.00 33.01 30.70 1txy s GLN 37 CO 0.02 0.36 0.19 -2.00 -0.25 0.00 0.00 175.29 173.61 1txy s GLU 38 N -3.28 3.83 -0.08 2.91 2.12 -1.26 -1.06 118.70 121.87 1txy s GLU 38 Ca 0.28 -0.05 -0.03 0.00 0.36 0.00 0.00 54.97 55.52 1txy s GLU 38 Cb -0.06 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 31.08 1txy s GLU 38 CO 0.15 0.56 0.15 -2.00 -0.54 0.00 0.00 175.26 173.58 1txy s GLU 39 N -0.43 0.03 -1.34 4.30 2.12 -0.31 -4.88 118.70 118.19 1txy s GLU 39 Ca 0.14 0.55 -0.10 0.00 0.36 0.00 0.00 54.97 55.93 1txy s GLU 39 Cb -0.12 -0.29 0.07 0.00 0.26 0.00 0.00 34.13 34.05 1txy s GLU 39 CO 0.04 -0.31 0.54 0.00 -0.54 0.00 0.00 175.26 174.99 1txy n ALA 40 N 5.30 -1.07 -0.20 6.30 0.00 -1.26 -1.29 120.51 128.29 1txy n ALA 40 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1txy n ALA 40 Cb 0.50 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 16.95 1txy n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1txy n GLY 41 N -1.24 1.63 3.61 0.00 0.00 -1.26 -5.04 105.19 102.90 1txy n GLY 41 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1txy n GLY 41 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1txy s PHE 42 N -2.86 2.83 -0.05 1.61 -0.12 -0.41 -5.11 117.98 113.87 1txy s PHE 42 Ca 0.00 -0.11 -0.20 0.00 -0.05 0.00 0.00 56.93 56.57 1txy s PHE 42 Cb 0.00 -1.48 -0.05 0.00 -0.63 0.00 0.00 43.02 40.87 1txy s PHE 42 CO 0.00 0.44 0.56 -1.01 -0.05 0.00 0.00 175.22 175.17 1txy s HIS 43 N -1.24 3.62 0.02 3.49 3.76 -1.26 -1.16 115.29 122.52 1txy s HIS 43 Ca 0.23 1.10 0.01 0.00 -0.15 0.00 0.00 55.06 56.25 1txy s HIS 43 Cb -0.11 -2.60 -0.01 0.00 1.11 0.00 0.00 32.58 30.97 1txy s HIS 43 CO 0.15 0.28 -0.04 0.50 -0.85 0.00 0.00 174.74 174.78 1txy s ARG 44 N 0.13 0.33 0.08 1.40 3.52 -0.23 -4.97 118.95 119.22 1txy s ARG 44 Ca 0.30 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 55.19 1txy s ARG 44 Cb -0.17 -0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.00 1txy s ARG 44 CO 0.15 0.03 1.03 -1.14 -0.81 0.00 0.00 175.30 174.56 1txy s GLN 45 N -0.82 4.60 -0.08 5.12 0.74 -1.26 -0.41 119.66 127.54 1txy s GLN 45 Ca -0.06 1.54 0.03 0.00 0.05 0.00 0.00 55.36 56.92 1txy s GLN 45 Cb -0.06 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 1txy s GLN 45 CO -0.00 0.04 -0.17 0.00 -0.55 0.00 0.00 175.29 174.60 1txy s ALA 46 N 0.43 2.49 -0.05 1.58 0.00 0.45 -4.91 121.76 121.75 1txy s ALA 46 Ca 0.51 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1txy s ALA 46 Cb -0.25 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 21.93 1txy s ALA 46 CO 0.30 0.41 0.13 -0.46 0.00 0.00 0.00 175.76 176.14 1txy s TRP 47 N -0.18 -0.14 -0.16 0.00 -0.00 -1.26 -1.67 118.94 115.53 1txy s TRP 47 Ca -0.01 0.36 -0.23 0.00 -0.00 0.00 0.00 56.10 56.22 1txy s TRP 47 Cb -0.13 0.01 0.06 0.00 -0.00 0.00 0.00 33.47 33.41 1txy s TRP 47 CO 0.03 -0.09 0.60 0.00 -0.00 0.00 0.00 176.95 177.49 1txy s GLN 49 N -0.24 2.53 -0.01 0.00 -0.21 -1.26 0.17 119.66 120.64 1txy s GLN 49 Ca -0.04 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 53.93 1txy s GLN 49 Cb -0.03 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1txy s GLN 49 CO 0.04 0.13 -0.05 -2.14 -2.12 0.00 0.00 175.29 171.14 1txy s PRO 51 N -3.90 0.53 -0.03 2.91 0.02 -1.26 -4.90 135.00 128.36 1txy s PRO 51 Ca 0.39 -0.17 0.05 0.00 0.02 0.00 0.00 61.00 61.28 1txy s PRO 51 Cb -0.04 -0.53 -0.01 0.00 0.02 0.00 0.00 34.50 33.94 1txy s PRO 51 CO 0.24 0.07 -0.18 0.08 -0.33 0.00 0.00 177.00 176.89 1txy s VAL 52 N 0.12 1.46 -0.07 3.83 1.01 0.52 -1.07 120.40 126.21 1txy s VAL 52 Ca -0.01 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1txy s VAL 52 Cb -0.05 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 1txy s VAL 52 CO -0.00 0.42 -0.22 -0.51 0.00 0.00 0.00 175.10 174.78 1txy s ILE 53 N -0.17 1.86 -0.27 2.22 2.07 -0.58 -1.61 121.20 124.72 1txy s ILE 53 Ca 0.01 -0.94 -0.01 0.00 -1.41 0.00 0.00 60.65 58.30 1txy s ILE 53 Cb -0.10 -1.59 0.04 0.00 0.13 0.00 0.00 42.46 40.94 1txy s ILE 53 CO 0.01 0.52 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.82 1txy s VAL 54 N 0.07 2.79 0.13 4.00 1.01 0.57 -1.34 120.40 127.63 1txy s VAL 54 Ca -0.08 -1.25 0.09 0.00 0.00 0.00 0.00 61.98 60.74 1txy s VAL 54 Cb -0.15 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1txy s VAL 54 CO 0.05 0.06 -0.18 -0.44 0.00 0.00 0.00 175.10 174.58 1txy s SER 55 N 1.26 3.86 0.00 3.32 0.01 -1.26 -1.26 113.70 119.62 1txy s SER 55 Ca -0.03 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1txy s SER 55 Cb -0.18 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1txy s SER 55 CO -0.03 0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1txy n GLY 56 N 0.70 0.43 0.18 3.44 0.00 -0.87 -4.76 105.19 104.31 1txy n GLY 56 Ca -0.15 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 1txy n GLY 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1txy h HIS 57 N 0.00 0.45 0.00 1.61 3.86 -1.95 -3.37 115.15 115.76 1txy h HIS 57 Ca 0.00 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 1txy h HIS 57 Cb 0.00 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 1txy h HIS 57 CO 0.00 0.88 -0.16 0.93 0.86 0.00 0.00 177.93 180.45 1txy h GLU 58 N 0.26 0.00 -0.20 2.45 3.07 -1.99 -2.82 114.58 115.35 1txy h GLU 58 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1txy h GLU 58 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1txy h GLU 58 CO 0.10 0.16 0.00 0.09 -1.40 0.00 0.00 179.01 177.96 1txy n ASN 59 N -3.63 2.52 -0.13 1.42 3.02 -1.26 -4.67 115.26 112.53 1txy n ASN 59 Ca -0.01 -1.98 -0.12 0.00 -0.03 0.00 0.00 54.58 52.44 1txy n ASN 59 Cb 0.28 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.31 1txy n ASN 59 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1txy h GLN 60 N 1.21 0.95 -0.16 3.52 1.08 -1.67 -3.34 115.11 116.71 1txy h GLN 60 Ca 0.00 -0.46 0.03 0.00 -1.45 0.00 0.00 58.65 56.77 1txy h GLN 60 Cb 0.63 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.99 1txy h GLN 60 CO 0.00 1.12 -0.55 0.00 -0.95 0.00 0.00 178.83 178.46 1txy h ALA 61 N 0.83 -0.89 -0.47 3.87 0.00 -1.83 -2.05 119.26 118.72 1txy h ALA 61 Ca 0.08 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1txy h ALA 61 Cb 0.90 1.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1txy h ALA 61 CO 0.08 -1.09 0.32 0.97 0.00 0.00 0.00 179.25 179.53 1txy h ILE 62 N -0.57 0.88 -0.69 0.00 2.10 -1.92 -2.16 117.51 115.14 1txy h ILE 62 Ca 0.03 -0.08 0.18 0.00 1.08 0.00 0.00 64.86 66.08 1txy h ILE 62 Cb 0.68 0.63 -0.03 0.00 -1.09 0.00 0.00 36.82 37.00 1txy h ILE 62 CO -0.45 0.04 0.49 0.74 -1.08 0.00 0.00 178.15 177.89 1txy h THR 63 N 0.23 0.70 0.00 2.19 2.02 -1.49 -0.12 112.91 116.44 1txy h THR 63 Ca 0.22 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1txy h THR 63 Cb 0.56 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1txy h THR 63 CO -0.04 0.02 0.00 1.41 0.37 0.00 0.00 175.52 177.28 1txy n HIS 64 N -4.38 0.00 0.18 3.16 8.25 -0.81 -1.85 115.22 119.77 1txy n HIS 64 Ca 0.13 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.69 1txy n HIS 64 Cb 0.69 -0.24 0.19 0.00 1.12 0.00 0.00 29.99 31.75 1txy n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1txy n SER 65 N -1.24 3.22 -4.51 0.41 7.64 -0.06 -4.91 113.62 114.17 1txy n SER 65 Ca 0.09 -1.93 -0.38 0.00 1.01 0.00 0.00 58.87 57.67 1txy n SER 65 Cb 0.13 -0.23 -0.12 0.00 -1.01 0.00 0.00 64.21 62.98 1txy n SER 65 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1txy s ILE 66 N -1.29 4.82 0.36 0.44 1.01 -0.77 -5.00 121.20 120.78 1txy s ILE 66 Ca 0.34 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1txy s ILE 66 Cb 0.19 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1txy s ILE 66 CO 0.27 0.26 0.11 0.42 0.00 0.00 0.00 174.94 175.99 1txy s THR 67 N 1.68 0.75 0.19 2.92 -4.23 -1.26 -4.53 115.64 111.16 1txy s THR 67 Ca 0.06 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.26 1txy s THR 67 Cb -0.16 -2.52 -0.12 0.00 1.34 0.00 0.00 72.50 71.05 1txy s THR 67 CO 0.07 0.00 1.76 0.52 -0.54 0.00 0.00 174.62 176.43 1txy n VAL 68 N -0.78 0.09 0.00 2.29 0.31 -1.26 -1.34 118.33 117.64 1txy n VAL 68 Ca -0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1txy n VAL 68 Cb 0.66 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1txy n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1txy n GLY 69 N 4.05 2.84 3.71 2.92 0.00 -0.09 -4.99 105.19 113.64 1txy n GLY 69 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1txy n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1txy s SER 70 N -1.33 6.55 -0.24 1.61 0.01 -0.45 -4.70 113.70 115.16 1txy s SER 70 Ca 0.00 2.64 -0.15 0.00 1.31 0.00 0.00 55.95 59.75 1txy s SER 70 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1txy s SER 70 CO 0.00 -0.86 0.38 -0.13 0.41 0.00 0.00 173.24 173.04 1txy s ARG 71 N 1.41 4.08 0.20 12.44 0.52 -1.26 -0.37 118.95 135.97 1txy s ARG 71 Ca 0.72 0.11 -0.02 0.00 -0.52 0.00 0.00 55.73 56.01 1txy s ARG 71 Cb -0.44 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.39 1txy s ARG 71 CO 0.32 -0.17 0.16 0.96 0.02 0.00 0.00 175.30 176.58 1txy s ILE 72 N 1.74 0.01 -0.08 1.52 -4.36 -0.74 -1.28 121.20 118.02 1txy s ILE 72 Ca 0.17 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.66 1txy s ILE 72 Cb -0.15 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.15 1txy s ILE 72 CO 0.09 -0.05 -0.15 -0.89 0.24 0.00 0.00 174.94 174.18 1txy s THR 73 N -4.13 1.37 -0.08 8.37 2.01 0.46 -1.42 115.64 122.21 1txy s THR 73 Ca 0.36 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1txy s THR 73 Cb 0.06 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1txy s THR 73 CO 0.11 0.41 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.59 1txy s VAL 74 N 0.70 2.84 -0.11 3.82 1.01 -0.44 -0.27 120.40 127.95 1txy s VAL 74 Ca -0.13 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1txy s VAL 74 Cb -0.16 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1txy s VAL 74 CO 0.03 0.57 -0.22 -1.58 0.00 0.00 0.00 175.10 173.90 1txy s GLN 75 N -0.27 2.85 0.00 2.72 0.74 0.24 -1.27 119.66 124.68 1txy s GLN 75 Ca 0.01 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.61 1txy s GLN 75 Cb -0.13 -2.21 0.00 0.00 1.10 0.00 0.00 33.01 31.77 1txy s GLN 75 CO 0.03 0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 1txy n GLY 76 N 3.71 0.94 3.50 2.59 0.00 -0.38 0.40 105.19 115.94 1txy n GLY 76 Ca -0.20 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1txy n GLY 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1txy s PHE 77 N -1.67 2.61 0.19 1.61 -0.12 -0.86 -0.34 117.98 119.40 1txy s PHE 77 Ca 0.00 -0.22 -0.09 0.00 -0.05 0.00 0.00 56.93 56.56 1txy s PHE 77 Cb 0.00 -1.44 -0.07 0.00 -0.63 0.00 0.00 43.02 40.88 1txy s PHE 77 CO 0.00 0.33 0.51 0.96 -0.05 0.00 0.00 175.22 176.97 1txy s ILE 78 N -1.04 4.97 -0.05 -4.49 -4.36 -1.26 -0.25 121.20 114.73 1txy s ILE 78 Ca 0.17 0.45 -0.04 0.00 -0.26 0.00 0.00 60.65 60.97 1txy s ILE 78 Cb -0.11 -3.63 0.02 0.00 1.25 0.00 0.00 42.46 39.99 1txy s ILE 78 CO 0.08 0.01 0.12 -0.55 0.24 0.00 0.00 174.94 174.84 1txy s SER 79 N -2.25 -0.11 0.37 4.36 0.15 0.12 -4.94 113.70 111.40 1txy s SER 79 Ca 0.44 0.24 0.08 0.00 0.70 0.00 0.00 55.95 57.41 1txy s SER 79 Cb -0.12 0.22 -0.05 0.00 -1.71 0.00 0.00 66.02 64.35 1txy s SER 79 CO 0.21 -0.06 0.08 0.00 1.20 0.00 0.00 173.24 174.67 1txy n LYS 89 N -1.06 0.00 0.00 0.00 2.85 -1.26 -5.25 118.16 113.44 1txy n LYS 89 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1txy n LYS 89 Cb 0.63 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 1txy n LYS 89 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1txy n VAL 91 N -0.29 0.00 -3.39 0.58 0.31 0.36 -5.19 118.33 110.71 1txy n VAL 91 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1txy n VAL 91 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 1txy n VAL 91 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1txy s LEU 92 N 0.00 4.28 -0.42 7.52 2.96 -0.24 -0.70 118.68 132.09 1txy s LEU 92 Ca 0.00 -0.04 -0.22 0.00 -0.22 0.00 0.00 54.13 53.65 1txy s LEU 92 Cb 0.00 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.33 1txy s LEU 92 CO 0.00 -0.29 0.72 -1.00 -1.32 0.00 0.00 176.35 174.46 1txy s HIS 93 N 2.06 3.05 0.08 5.38 3.76 0.66 -1.52 115.29 128.76 1txy s HIS 93 Ca 0.13 0.16 -0.31 0.00 -0.15 0.00 0.00 55.06 54.90 1txy s HIS 93 Cb -0.16 -3.47 -0.07 0.00 1.11 0.00 0.00 32.58 29.99 1txy s HIS 93 CO 0.11 -0.87 1.38 0.00 -0.85 0.00 0.00 174.74 174.51 1txy s ALA 94 N 3.05 3.57 -0.12 -1.40 0.00 -0.45 -2.03 121.76 124.38 1txy s ALA 94 Ca 0.27 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.34 1txy s ALA 94 Cb -0.13 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 1txy s ALA 94 CO 0.20 -0.67 -0.02 0.39 0.00 0.00 0.00 175.76 175.66 1txy n GLU 95 N 4.29 1.54 -4.07 0.00 1.02 0.16 -4.72 120.64 118.86 1txy n GLU 95 Ca 0.12 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.14 1txy n GLU 95 Cb 0.43 -1.28 -0.14 0.00 -0.02 0.00 0.00 31.44 30.42 1txy n GLU 95 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1txy s GLN 96 N -2.27 0.31 -0.07 3.49 -0.21 -0.33 -5.00 119.66 115.57 1txy s GLN 96 Ca -0.10 -0.17 0.03 0.00 0.02 0.00 0.00 55.36 55.14 1txy s GLN 96 Cb 0.04 -0.28 0.01 0.00 1.00 0.00 0.00 33.01 33.77 1txy s GLN 96 CO 0.41 0.08 -0.15 0.42 -2.12 0.00 0.00 175.29 173.92 1txy s ILE 97 N -0.17 1.37 -0.20 1.08 1.01 -1.26 -0.59 121.20 122.45 1txy s ILE 97 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1txy s ILE 97 Cb -0.02 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.24 1txy s ILE 97 CO -0.00 0.41 -0.16 -0.70 0.00 0.00 0.00 174.94 174.48 1txy s GLU 98 N 0.53 3.00 -0.20 2.79 2.12 0.63 -4.98 118.70 122.58 1txy s GLU 98 Ca -0.15 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.05 1txy s GLU 98 Cb -0.16 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.54 1txy s GLU 98 CO 0.05 -0.24 1.19 -0.51 -0.54 0.00 0.00 175.26 175.21 1txy s LEU 99 N 1.31 4.12 0.00 2.70 1.43 -1.26 -0.41 118.68 126.57 1txy s LEU 99 Ca 0.04 1.52 0.29 0.00 -1.03 0.00 0.00 54.13 54.95 1txy s LEU 99 Cb -0.14 -3.54 1.72 0.00 0.03 0.00 0.00 46.19 44.26 1txy s LEU 99 CO -0.10 -0.77 2.06 -0.38 0.23 0.00 0.00 176.35 177.38