#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ac6 s SER 2 N 0.00 -0.22 -0.03 -2.24 0.15 0.31 -5.00 113.70 106.67 1ac6 s SER 2 Ca 0.00 0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.88 1ac6 s SER 2 Cb 0.00 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 1ac6 s SER 2 CO 0.00 -0.40 -0.18 -0.69 1.20 0.00 0.00 173.24 173.17 1ac6 s VAL 3 N -1.11 1.46 -0.07 4.45 1.01 -1.26 -0.98 120.40 123.90 1ac6 s VAL 3 Ca -0.12 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1ac6 s VAL 3 Cb -0.05 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1ac6 s VAL 3 CO 0.04 0.42 -0.05 -0.89 0.00 0.00 0.00 175.10 174.62 1ac6 s THR 4 N -0.14 0.65 0.44 3.92 2.01 -0.47 -4.51 115.64 117.54 1ac6 s THR 4 Ca 0.00 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1ac6 s THR 4 Cb -0.10 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 1ac6 s THR 4 CO 0.01 0.27 0.08 0.00 -0.69 0.00 0.00 174.62 174.30 1ac6 s GLN 5 N 1.30 2.02 -0.72 4.92 -2.07 -1.26 -1.14 119.66 122.71 1ac6 s GLN 5 Ca -0.05 -2.25 -0.27 0.00 -1.82 0.00 0.00 55.36 50.97 1ac6 s GLN 5 Cb -0.14 -0.97 -0.14 0.00 -1.09 0.00 0.00 33.01 30.67 1ac6 s GLN 5 CO -0.02 -0.42 2.50 2.41 -1.32 0.00 0.00 175.29 178.43 1ac6 n THR 6 N -1.04 -0.05 -1.60 3.63 -1.04 -0.87 -4.82 114.28 108.49 1ac6 n THR 6 Ca -0.11 -0.49 -0.54 0.00 -2.04 0.00 0.00 64.05 60.88 1ac6 n THR 6 Cb 0.66 -1.77 -0.07 0.00 -1.82 0.00 0.00 70.33 67.32 1ac6 n THR 6 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ac6 n GLU 7 N 8.60 1.27 0.00 -2.82 2.13 -1.26 -4.60 120.64 123.96 1ac6 n GLU 7 Ca 0.50 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.75 1ac6 n GLU 7 Cb 0.34 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.75 1ac6 n GLU 7 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ac6 n GLY 8 N 5.12 0.80 3.76 8.31 0.00 -1.26 -4.94 105.19 116.98 1ac6 n GLY 8 Ca 0.32 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1ac6 n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ac6 s GLN 9 N 0.00 2.96 -0.15 1.61 0.74 -1.26 -0.49 119.66 123.08 1ac6 s GLN 9 Ca 0.00 -0.55 -0.01 0.00 0.05 0.00 0.00 55.36 54.85 1ac6 s GLN 9 Cb 0.00 -2.79 0.04 0.00 1.10 0.00 0.00 33.01 31.36 1ac6 s GLN 9 CO 0.00 0.63 -0.02 0.08 -0.55 0.00 0.00 175.29 175.43 1ac6 s VAL 10 N -1.19 0.83 -0.09 1.34 1.01 0.44 -4.90 120.40 117.83 1ac6 s VAL 10 Ca 0.23 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1ac6 s VAL 10 Cb -0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1ac6 s VAL 10 CO 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 175.10 175.33 1ac6 s ALA 11 N 1.76 3.21 0.12 5.51 0.00 -1.26 -1.28 121.76 129.82 1ac6 s ALA 11 Ca 0.02 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1ac6 s ALA 11 Cb -0.15 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1ac6 s ALA 11 CO -0.07 0.54 0.11 1.28 0.00 0.00 0.00 175.76 177.61 1ac6 n LEU 12 N 2.33 0.00 -4.24 0.00 4.32 -0.11 -4.95 117.00 114.35 1ac6 n LEU 12 Ca -0.18 -1.14 -0.17 0.00 -0.02 0.00 0.00 56.01 54.50 1ac6 n LEU 12 Cb 0.53 0.62 -0.11 0.00 -1.62 0.00 0.00 43.42 42.85 1ac6 n LEU 12 CO 0.29 -0.19 -0.44 -0.44 -1.22 0.00 0.00 177.39 175.39 1ac6 s SER 13 N -1.84 1.89 0.46 -1.43 0.01 -1.26 -2.56 113.70 108.96 1ac6 s SER 13 Ca 0.14 -0.86 -0.23 0.00 1.31 0.00 0.00 55.95 56.32 1ac6 s SER 13 Cb 0.01 -0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 1ac6 s SER 13 CO 0.10 -0.20 1.02 -0.62 0.41 0.00 0.00 173.24 173.95 1ac6 n GLU 14 N 0.36 1.30 -0.86 12.44 1.02 -0.48 -2.95 120.64 131.47 1ac6 n GLU 14 Ca -0.14 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1ac6 n GLU 14 Cb 0.58 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1ac6 n GLU 14 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ac6 n GLU 15 N -0.11 -0.08 -1.29 3.49 1.02 0.21 -4.91 120.64 118.97 1ac6 n GLU 15 Ca 0.10 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.96 1ac6 n GLU 15 Cb 0.41 -3.20 0.13 0.00 -0.02 0.00 0.00 31.44 28.77 1ac6 n GLU 15 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ac6 s ASP 16 N -2.60 3.60 -0.01 1.62 1.11 -1.15 -4.29 116.67 114.95 1ac6 s ASP 16 Ca 0.00 1.40 -0.14 0.00 0.18 0.00 0.00 52.55 53.99 1ac6 s ASP 16 Cb 0.00 -2.08 -0.06 0.00 1.07 0.00 0.00 42.92 41.85 1ac6 s ASP 16 CO 0.00 -2.54 0.39 0.12 1.18 0.00 0.00 175.17 174.31 1ac6 s PHE 17 N -3.00 3.72 0.18 4.23 5.36 -1.15 -0.37 117.98 126.95 1ac6 s PHE 17 Ca 0.63 0.96 0.11 0.00 -0.96 0.00 0.00 56.93 57.66 1ac6 s PHE 17 Cb -0.17 -2.26 -0.04 0.00 -0.34 0.00 0.00 43.02 40.20 1ac6 s PHE 17 CO 0.56 0.65 -0.23 -1.17 -1.46 0.00 0.00 175.22 173.57 1ac6 s LEU 18 N -1.07 2.42 -0.24 6.12 2.96 0.11 -4.95 118.68 124.04 1ac6 s LEU 18 Ca 0.23 -0.85 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 1ac6 s LEU 18 Cb -0.16 -1.09 0.11 0.00 0.50 0.00 0.00 46.19 45.55 1ac6 s LEU 18 CO 0.13 0.09 0.50 -0.89 -1.32 0.00 0.00 176.35 174.85 1ac6 s THR 19 N -1.69 -0.78 -0.20 3.68 2.01 -1.24 -2.77 115.64 114.65 1ac6 s THR 19 Ca 0.19 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 1ac6 s THR 19 Cb -0.08 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.64 1ac6 s THR 19 CO 0.09 0.03 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.30 1ac6 s ILE 20 N 2.71 2.77 0.43 1.82 1.01 -0.27 -4.96 121.20 124.72 1ac6 s ILE 20 Ca -0.01 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1ac6 s ILE 20 Cb -0.12 -2.23 -0.09 0.00 0.01 0.00 0.00 42.46 40.02 1ac6 s ILE 20 CO -0.15 0.47 1.04 -1.00 0.00 0.00 0.00 174.94 175.29 1ac6 s HIS 21 N 1.39 3.17 -0.10 3.97 3.76 -1.26 -0.69 115.29 125.53 1ac6 s HIS 21 Ca 0.05 1.62 -0.04 0.00 -0.15 0.00 0.00 55.06 56.54 1ac6 s HIS 21 Cb -0.14 -3.08 0.05 0.00 1.11 0.00 0.00 32.58 30.52 1ac6 s HIS 21 CO -0.08 -0.66 0.21 0.00 -0.85 0.00 0.00 174.74 173.36 1ac6 s ASN 23 N 1.76 2.03 0.46 0.00 -0.87 -0.29 -0.79 114.94 117.23 1ac6 s ASN 23 Ca -0.04 -0.31 0.07 0.00 -1.57 0.00 0.00 52.86 51.01 1ac6 s ASN 23 Cb -0.11 -0.85 -0.01 0.00 -0.02 0.00 0.00 41.25 40.26 1ac6 s ASN 23 CO -0.07 -0.06 0.34 -0.72 -2.57 0.00 0.00 177.10 174.02 1ac6 s TYR 24 N 1.29 2.34 -0.28 2.20 1.13 -0.75 -1.37 117.35 121.91 1ac6 s TYR 24 Ca -0.03 -0.62 -0.01 0.00 -1.41 0.00 0.00 57.07 55.00 1ac6 s TYR 24 Cb -0.14 -2.05 0.17 0.00 -1.10 0.00 0.00 41.96 38.85 1ac6 s TYR 24 CO -0.04 -0.17 0.53 -1.54 -2.51 0.00 0.00 175.55 171.82 1ac6 s SER 25 N -4.13 -0.85 0.06 -0.18 1.04 -0.15 -4.87 113.70 104.62 1ac6 s SER 25 Ca 0.42 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 57.31 1ac6 s SER 25 Cb -0.01 1.81 0.02 0.00 0.10 0.00 0.00 66.02 67.94 1ac6 s SER 25 CO 0.25 -0.28 0.33 0.00 0.98 0.00 0.00 173.24 174.52 1ac6 s ALA 26 N 2.75 -0.73 0.30 5.32 0.00 -1.26 -0.53 121.76 127.61 1ac6 s ALA 26 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 1ac6 s ALA 26 Cb -0.15 0.38 -0.09 0.00 0.00 0.00 0.00 23.12 23.27 1ac6 s ALA 26 CO -0.20 -0.46 0.75 -1.12 0.00 0.00 0.00 175.76 174.73 1ac6 s SER 27 N -2.20 6.86 0.00 0.00 0.01 -1.26 -4.89 113.70 112.21 1ac6 s SER 27 Ca -0.03 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1ac6 s SER 27 Cb -0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1ac6 s SER 27 CO -0.05 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1ac6 n GLY 28 N -0.10 -1.15 3.07 3.44 0.00 -1.26 -4.61 105.19 104.58 1ac6 n GLY 28 Ca 0.02 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 1ac6 n GLY 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ac6 s TYR 29 N 0.00 3.57 0.50 1.61 5.04 -1.26 -5.10 117.35 121.71 1ac6 s TYR 29 Ca 0.00 -2.72 -0.05 0.00 -2.44 0.00 0.00 57.07 51.86 1ac6 s TYR 29 Cb 0.00 -3.09 -0.03 0.00 0.35 0.00 0.00 41.96 39.19 1ac6 s TYR 29 CO 0.00 -0.92 0.81 -1.25 -1.34 0.00 0.00 175.55 172.85 1ac6 s PRO 30 N 0.73 3.44 -0.10 4.97 0.04 -1.26 -4.89 135.00 137.94 1ac6 s PRO 30 Ca 0.11 0.17 -0.16 0.00 0.04 0.00 0.00 61.00 61.17 1ac6 s PRO 30 Cb -0.22 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 1ac6 s PRO 30 CO -0.05 -0.29 0.40 0.00 0.04 0.00 0.00 177.00 177.10 1ac6 s ALA 31 N -2.79 3.58 0.06 8.56 0.00 0.25 -4.82 121.76 126.60 1ac6 s ALA 31 Ca 0.49 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1ac6 s ALA 31 Cb -0.10 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1ac6 s ALA 31 CO 0.45 0.18 0.12 -0.51 0.00 0.00 0.00 175.76 176.00 1ac6 s LEU 32 N 0.06 4.01 0.16 0.00 1.43 -0.83 -1.37 118.68 122.15 1ac6 s LEU 32 Ca 0.22 0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.37 1ac6 s LEU 32 Cb -0.15 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 1ac6 s LEU 32 CO 0.09 0.18 0.20 -0.36 0.23 0.00 0.00 176.35 176.70 1ac6 s PHE 33 N -1.41 0.65 -0.01 0.29 0.40 -0.66 -1.37 117.98 115.86 1ac6 s PHE 33 Ca 0.31 -1.00 0.01 0.00 -0.60 0.00 0.00 56.93 55.65 1ac6 s PHE 33 Cb -0.12 -0.24 0.00 0.00 0.51 0.00 0.00 43.02 43.17 1ac6 s PHE 33 CO 0.23 -0.67 -0.03 -1.58 0.70 0.00 0.00 175.22 173.88 1ac6 s TRP 34 N -4.02 0.33 0.15 0.36 0.52 -1.08 -0.87 118.94 114.32 1ac6 s TRP 34 Ca 0.23 -0.05 0.08 0.00 0.02 0.00 0.00 56.10 56.37 1ac6 s TRP 34 Cb 0.05 -0.26 -0.04 0.00 -1.15 0.00 0.00 33.47 32.06 1ac6 s TRP 34 CO 0.03 -0.04 -0.18 0.71 0.02 0.00 0.00 176.95 177.49 1ac6 s TYR 35 N 0.19 1.72 -0.03 -1.98 1.51 -0.60 -1.51 117.35 116.65 1ac6 s TYR 35 Ca -0.02 -0.48 0.06 0.00 -1.01 0.00 0.00 57.07 55.62 1ac6 s TYR 35 Cb -0.05 -0.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 1ac6 s TYR 35 CO -0.00 0.27 -0.21 0.08 -1.11 0.00 0.00 175.55 174.57 1ac6 s VAL 36 N -1.95 1.71 -0.42 0.71 1.01 0.12 -1.44 120.40 120.15 1ac6 s VAL 36 Ca 0.13 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1ac6 s VAL 36 Cb -0.06 -1.44 0.11 0.00 0.00 0.00 0.00 36.38 34.99 1ac6 s VAL 36 CO 0.05 0.48 0.15 -1.58 0.00 0.00 0.00 175.10 174.21 1ac6 s GLN 37 N -0.27 1.63 0.62 2.72 0.74 -0.20 0.11 119.66 125.01 1ac6 s GLN 37 Ca 0.02 -2.15 -0.16 0.00 0.05 0.00 0.00 55.36 53.13 1ac6 s GLN 37 Cb -0.11 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 1ac6 s GLN 37 CO 0.01 -1.02 1.09 0.71 -0.55 0.00 0.00 175.29 175.53 1ac6 s TYR 38 N 0.42 2.78 0.18 1.67 2.02 -1.26 -2.63 117.35 120.53 1ac6 s TYR 38 Ca 0.14 1.53 -0.33 0.00 -0.37 0.00 0.00 57.07 58.04 1ac6 s TYR 38 Cb -0.22 -3.11 -0.14 0.00 -0.40 0.00 0.00 41.96 38.09 1ac6 s TYR 38 CO -0.05 -1.43 1.48 -2.30 -1.57 0.00 0.00 175.55 171.67 1ac6 n PRO 39 N -2.16 1.95 -1.00 -1.71 -0.02 -1.26 -1.66 135.00 129.14 1ac6 n PRO 39 Ca 0.10 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1ac6 n PRO 39 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1ac6 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ac6 n GLY 40 N 2.85 0.46 3.23 -1.23 0.00 -1.26 -5.02 105.19 104.21 1ac6 n GLY 40 Ca 0.15 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1ac6 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ac6 s GLU 41 N -0.65 1.34 0.69 1.61 2.02 -0.67 -5.17 118.70 117.88 1ac6 s GLU 41 Ca 0.00 -1.73 -0.06 0.00 0.02 0.00 0.00 54.97 53.20 1ac6 s GLU 41 Cb 0.00 0.26 0.06 0.00 0.10 0.00 0.00 34.13 34.55 1ac6 s GLU 41 CO 0.00 -0.45 1.00 0.20 0.02 0.00 0.00 175.26 176.03 1ac6 s GLY 42 N -3.22 1.70 0.48 -1.39 0.00 -1.26 -4.59 107.32 99.04 1ac6 s GLY 42 Ca 0.39 -0.97 -0.23 0.00 0.00 0.00 0.00 44.72 43.92 1ac6 s GLY 42 CO 0.16 -0.57 1.25 -4.14 0.00 0.00 0.00 173.10 169.80 1ac6 s PRO 43 N -5.21 3.59 0.04 2.90 0.02 -1.26 -4.39 135.00 130.69 1ac6 s PRO 43 Ca 0.60 1.98 0.03 0.00 0.02 0.00 0.00 61.00 63.64 1ac6 s PRO 43 Cb -0.11 -2.41 -0.02 0.00 0.02 0.00 0.00 34.50 31.98 1ac6 s PRO 43 CO 0.44 -0.75 -0.10 1.14 -0.33 0.00 0.00 177.00 177.40 1ac6 s GLN 44 N -2.69 0.69 0.21 5.54 -2.07 0.31 -4.91 119.66 116.74 1ac6 s GLN 44 Ca 0.65 -0.68 -0.32 0.00 -1.82 0.00 0.00 55.36 53.19 1ac6 s GLN 44 Cb -0.34 -0.61 -0.13 0.00 -1.09 0.00 0.00 33.01 30.84 1ac6 s GLN 44 CO 0.41 0.14 1.58 0.34 -1.32 0.00 0.00 175.29 176.44 1ac6 n PHE 45 N 1.86 2.47 -0.06 9.60 7.35 -1.26 0.13 117.46 137.55 1ac6 n PHE 45 Ca -0.19 0.25 -0.13 0.00 -0.76 0.00 0.00 57.45 56.62 1ac6 n PHE 45 Cb 0.55 -2.57 -0.04 0.00 0.35 0.00 0.00 39.48 37.77 1ac6 n PHE 45 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1ac6 n LEU 46 N 3.04 1.17 -3.62 -2.13 7.94 -0.57 -4.76 117.00 118.08 1ac6 n LEU 46 Ca 0.14 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1ac6 n LEU 46 Cb 0.32 -0.46 -0.01 0.00 0.53 0.00 0.00 43.42 43.80 1ac6 n LEU 46 CO 0.63 0.10 1.05 0.72 -1.11 0.00 0.00 177.39 178.79 1ac6 s PHE 47 N -2.32 -0.06 0.14 1.96 -0.12 -1.16 -4.66 117.98 111.76 1ac6 s PHE 47 Ca -0.19 -0.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.66 1ac6 s PHE 47 Cb 0.06 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1ac6 s PHE 47 CO 0.25 -0.27 -0.00 0.50 -0.05 0.00 0.00 175.22 175.65 1ac6 s ARG 48 N -2.43 0.99 -0.21 1.99 3.52 -1.26 -2.65 118.95 118.89 1ac6 s ARG 48 Ca 0.13 -1.46 -0.04 0.00 -0.13 0.00 0.00 55.73 54.24 1ac6 s ARG 48 Cb 0.04 -0.12 0.11 0.00 -1.56 0.00 0.00 34.95 33.42 1ac6 s ARG 48 CO -0.04 -0.14 0.34 0.00 -0.81 0.00 0.00 175.30 174.65 1ac6 s ALA 49 N -3.75 -0.87 0.01 6.12 0.00 -0.47 -4.39 121.76 118.41 1ac6 s ALA 49 Ca 0.21 0.90 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 1ac6 s ALA 49 Cb 0.06 -1.44 -0.29 0.00 0.00 0.00 0.00 23.12 21.45 1ac6 s ALA 49 CO 0.01 -1.06 0.88 0.66 0.00 0.00 0.00 175.76 176.25 1ac6 h SER 50 N 8.22 0.48 -3.26 0.00 4.64 -1.88 -2.20 113.55 119.56 1ac6 h SER 50 Ca -0.18 -0.63 -0.44 0.00 -0.47 0.00 0.00 61.79 60.07 1ac6 h SER 50 Cb 1.14 -0.16 -0.14 0.00 -0.31 0.00 0.00 62.40 62.93 1ac6 h SER 50 CO 0.23 1.52 -0.73 0.00 -0.87 0.00 0.00 176.83 176.98 1ac6 s ARG 51 N -2.61 1.32 0.16 4.77 3.03 -1.26 -4.67 118.95 119.69 1ac6 s ARG 51 Ca -0.09 -1.59 -0.33 0.00 2.03 0.00 0.00 55.73 55.74 1ac6 s ARG 51 Cb 0.06 -1.07 -0.16 0.00 -1.03 0.00 0.00 34.95 32.75 1ac6 s ARG 51 CO 0.87 0.16 1.04 -3.47 -1.13 0.00 0.00 175.30 172.77 1ac6 n ASP 52 N -0.38 0.75 0.00 -2.89 2.03 -1.26 -1.33 116.55 113.47 1ac6 n ASP 52 Ca -0.08 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1ac6 n ASP 52 Cb 0.61 -1.14 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 1ac6 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ac6 n LYS 53 N 1.53 0.00 -2.19 -0.67 5.02 0.37 -5.00 118.16 117.22 1ac6 n LYS 53 Ca 0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.09 1ac6 n LYS 53 Cb 0.23 -2.64 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1ac6 n LYS 53 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ac6 s GLU 54 N -0.15 3.43 -0.20 1.97 2.12 -0.44 -4.67 118.70 120.77 1ac6 s GLU 54 Ca 0.00 1.74 -0.00 0.00 0.36 0.00 0.00 54.97 57.07 1ac6 s GLU 54 Cb 0.00 -2.16 0.05 0.00 0.26 0.00 0.00 34.13 32.28 1ac6 s GLU 54 CO 0.00 -0.81 -0.05 0.21 -0.54 0.00 0.00 175.26 174.06 1ac6 s LYS 55 N -3.05 1.54 0.40 4.30 2.20 -1.26 -1.21 119.74 122.65 1ac6 s LYS 55 Ca 0.70 -0.74 -0.08 0.00 -0.36 0.00 0.00 55.97 55.48 1ac6 s LYS 55 Cb -0.28 -2.31 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 1ac6 s LYS 55 CO 0.32 -0.51 0.73 0.20 -0.36 0.00 0.00 175.35 175.72 1ac6 s GLY 56 N 1.52 1.82 0.03 5.54 0.00 -0.93 -4.92 107.32 110.37 1ac6 s GLY 56 Ca -0.02 -0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.08 1ac6 s GLY 56 CO -0.07 -0.18 0.61 -1.35 0.00 0.00 0.00 173.10 172.11 1ac6 s SER 57 N -3.38 -0.57 0.00 1.64 1.04 -1.26 -2.45 113.70 108.72 1ac6 s SER 57 Ca 0.49 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1ac6 s SER 57 Cb -0.10 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1ac6 s SER 57 CO 0.34 -0.72 0.00 -0.24 0.98 0.00 0.00 173.24 173.60 1ac6 n SER 58 N 0.48 0.00 -2.79 7.02 2.88 -1.04 -4.90 113.62 115.28 1ac6 n SER 58 Ca -0.18 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.20 1ac6 n SER 58 Cb 0.60 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1ac6 n SER 58 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ac6 n ARG 59 N -0.00 -2.76 -1.00 -1.46 1.74 -1.26 -1.11 116.66 110.81 1ac6 n ARG 59 Ca 0.00 0.51 -0.00 0.00 -0.77 0.00 0.00 57.85 57.59 1ac6 n ARG 59 Cb 0.00 -5.14 -0.00 0.00 -1.02 0.00 0.00 32.46 26.30 1ac6 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ac6 n GLY 60 N -0.92 0.48 3.82 -0.13 0.00 -1.26 -5.03 105.19 102.14 1ac6 n GLY 60 Ca -0.09 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1ac6 n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ac6 s PHE 61 N -1.98 3.25 -0.14 1.61 0.08 -0.27 -4.46 117.98 116.07 1ac6 s PHE 61 Ca 0.00 0.07 -0.29 0.00 0.12 0.00 0.00 56.93 56.83 1ac6 s PHE 61 Cb 0.00 -1.60 0.07 0.00 -0.57 0.00 0.00 43.02 40.92 1ac6 s PHE 61 CO 0.00 0.53 0.70 -1.83 -0.10 0.00 0.00 175.22 174.52 1ac6 s GLU 62 N -2.76 0.97 -0.01 0.44 -1.05 -0.32 -2.49 118.70 113.47 1ac6 s GLU 62 Ca 0.31 0.55 0.00 0.00 -0.15 0.00 0.00 54.97 55.68 1ac6 s GLU 62 Cb -0.11 0.46 0.01 0.00 -0.44 0.00 0.00 34.13 34.05 1ac6 s GLU 62 CO 0.24 -0.24 0.00 0.00 0.95 0.00 0.00 175.26 176.21 1ac6 s ALA 63 N -0.58 0.12 -0.25 -0.84 0.00 -1.02 -1.16 121.76 118.04 1ac6 s ALA 63 Ca -0.07 0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 1ac6 s ALA 63 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1ac6 s ALA 63 CO 0.06 -0.04 0.12 0.99 0.00 0.00 0.00 175.76 176.89 1ac6 s THR 64 N 0.49 4.82 -0.13 0.00 2.01 -1.26 -2.19 115.64 119.38 1ac6 s THR 64 Ca -0.04 -0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 1ac6 s THR 64 Cb -0.07 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1ac6 s THR 64 CO -0.01 0.33 1.87 -0.47 -0.69 0.00 0.00 174.62 175.65 1ac6 s TYR 65 N 1.37 1.62 -0.45 4.92 6.14 -0.35 -4.40 117.35 126.20 1ac6 s TYR 65 Ca 0.06 0.23 0.03 0.00 0.64 0.00 0.00 57.07 58.03 1ac6 s TYR 65 Cb -0.15 -4.04 0.12 0.00 0.42 0.00 0.00 41.96 38.31 1ac6 s TYR 65 CO 0.05 -4.06 0.19 1.21 0.64 0.00 0.00 175.55 173.58 1ac6 s ASN 66 N 5.26 4.60 0.38 4.32 3.84 -0.92 -0.48 114.94 131.95 1ac6 s ASN 66 Ca 0.84 -2.62 0.07 0.00 0.21 0.00 0.00 52.86 51.35 1ac6 s ASN 66 Cb -0.33 -1.66 0.75 0.00 -0.55 0.00 0.00 41.25 39.47 1ac6 s ASN 66 CO 0.34 -0.31 1.96 0.50 -2.79 0.00 0.00 177.10 176.80 1ac6 h LYS 67 N 7.05 0.45 0.01 0.43 3.11 -1.93 0.27 116.57 125.96 1ac6 h LYS 67 Ca -0.06 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1ac6 h LYS 67 Cb 0.95 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 1ac6 h LYS 67 CO 0.63 0.43 -0.01 0.93 -2.81 0.00 0.00 179.45 178.62 1ac6 h GLU 68 N 0.45 -0.02 -0.00 1.90 4.39 -1.97 -3.22 114.58 116.11 1ac6 h GLU 68 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ac6 h GLU 68 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1ac6 h GLU 68 CO -0.00 0.67 -0.08 0.00 -1.16 0.00 0.00 179.01 178.44 1ac6 n ALA 69 N -2.47 2.63 -3.70 3.43 0.00 -1.22 -4.94 120.51 114.24 1ac6 n ALA 69 Ca -0.09 -0.19 -0.31 0.00 0.00 0.00 0.00 53.44 52.86 1ac6 n ALA 69 Cb 0.34 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.43 1ac6 n ALA 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ac6 n THR 70 N -1.26 -5.61 -4.23 0.00 -2.24 0.88 -4.89 114.28 96.93 1ac6 n THR 70 Ca 0.12 -0.91 -0.13 0.00 -2.27 0.00 0.00 64.05 60.85 1ac6 n THR 70 Cb 0.29 -4.20 -0.10 0.00 -2.10 0.00 0.00 70.33 64.21 1ac6 n THR 70 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ac6 s SER 71 N -3.58 1.52 -0.41 3.42 1.04 -0.71 -1.81 113.70 113.17 1ac6 s SER 71 Ca 0.42 -1.04 0.10 0.00 0.48 0.00 0.00 55.95 55.90 1ac6 s SER 71 Cb -0.15 0.04 0.35 0.00 0.10 0.00 0.00 66.02 66.36 1ac6 s SER 71 CO 0.86 -0.41 0.94 0.33 0.98 0.00 0.00 173.24 175.93 1ac6 n PHE 72 N -0.17 -1.17 -1.95 5.02 7.35 0.03 -2.16 117.46 124.41 1ac6 n PHE 72 Ca -0.10 -2.96 -0.42 0.00 -0.76 0.00 0.00 57.45 53.21 1ac6 n PHE 72 Cb 0.61 0.54 -0.03 0.00 0.35 0.00 0.00 39.48 40.95 1ac6 n PHE 72 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1ac6 s HIS 73 N -1.22 2.85 0.09 -5.13 3.76 -1.26 -4.36 115.29 110.02 1ac6 s HIS 73 Ca 0.31 0.55 -0.26 0.00 -0.15 0.00 0.00 55.06 55.51 1ac6 s HIS 73 Cb 0.33 -3.92 -0.06 0.00 1.11 0.00 0.00 32.58 30.04 1ac6 s HIS 73 CO -0.06 -3.48 0.79 -1.17 -0.85 0.00 0.00 174.74 169.97 1ac6 s LEU 74 N 1.69 4.50 -0.05 0.89 2.96 0.13 -4.23 118.68 124.58 1ac6 s LEU 74 Ca 0.71 1.55 -0.06 0.00 -0.22 0.00 0.00 54.13 56.11 1ac6 s LEU 74 Cb -0.42 -3.29 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1ac6 s LEU 74 CO 0.31 0.07 0.16 -1.10 -1.32 0.00 0.00 176.35 174.48 1ac6 s GLN 75 N -0.41 0.28 -0.07 1.98 -0.21 -0.30 -1.11 119.66 119.81 1ac6 s GLN 75 Ca 0.38 0.06 -0.03 0.00 0.02 0.00 0.00 55.36 55.79 1ac6 s GLN 75 Cb -0.22 0.13 0.04 0.00 1.00 0.00 0.00 33.01 33.96 1ac6 s GLN 75 CO 0.25 -0.05 0.15 0.21 -2.12 0.00 0.00 175.29 173.73 1ac6 s LYS 76 N -0.33 0.07 0.17 2.91 2.20 -1.11 -1.17 119.74 122.47 1ac6 s LYS 76 Ca -0.04 0.45 -0.14 0.00 -0.36 0.00 0.00 55.97 55.88 1ac6 s LYS 76 Cb -0.03 -0.22 0.07 0.00 -1.51 0.00 0.00 37.83 36.14 1ac6 s LYS 76 CO 0.01 -0.22 1.81 0.00 -0.36 0.00 0.00 175.35 176.59 1ac6 h ALA 77 N 7.69 0.70 -2.88 3.13 0.00 -1.83 0.31 119.26 126.38 1ac6 h ALA 77 Ca -0.31 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 53.98 1ac6 h ALA 77 Cb 1.13 -0.22 -0.40 0.00 0.00 0.00 0.00 17.79 18.30 1ac6 h ALA 77 CO 0.31 0.17 -0.78 -1.54 0.00 0.00 0.00 179.25 177.42 1ac6 s SER 78 N -5.77 3.62 0.63 0.00 1.04 -1.20 -2.96 113.70 109.07 1ac6 s SER 78 Ca -0.13 -1.59 -0.18 0.00 0.48 0.00 0.00 55.95 54.53 1ac6 s SER 78 Cb 0.12 -0.55 -0.02 0.00 0.10 0.00 0.00 66.02 65.67 1ac6 s SER 78 CO 0.75 -0.41 1.23 0.54 0.98 0.00 0.00 173.24 176.34 1ac6 s VAL 79 N 1.72 2.43 0.09 5.02 0.11 0.51 -4.62 120.40 125.66 1ac6 s VAL 79 Ca 0.11 0.26 0.03 0.00 -2.93 0.00 0.00 61.98 59.45 1ac6 s VAL 79 Cb -0.18 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.57 1ac6 s VAL 79 CO -0.26 -0.07 -0.09 -1.58 -3.33 0.00 0.00 175.10 169.77 1ac6 s GLN 80 N -3.43 0.79 0.42 1.54 0.74 -1.26 0.66 119.66 119.12 1ac6 s GLN 80 Ca 0.78 -1.13 0.20 0.00 0.05 0.00 0.00 55.36 55.26 1ac6 s GLN 80 Cb -0.32 -0.43 1.14 0.00 1.10 0.00 0.00 33.01 34.50 1ac6 s GLN 80 CO 0.36 0.06 1.81 0.93 -0.55 0.00 0.00 175.29 177.90 1ac6 h GLU 81 N 3.60 0.35 0.00 1.67 4.39 -1.92 0.59 114.58 123.25 1ac6 h GLU 81 Ca -0.37 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1ac6 h GLU 81 Cb 1.19 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ac6 h GLU 81 CO 0.53 0.23 0.00 0.66 -1.16 0.00 0.00 179.01 179.27 1ac6 h SER 82 N 0.36 0.00 0.50 1.42 4.64 -1.98 -2.91 113.55 115.58 1ac6 h SER 82 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1ac6 h SER 82 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1ac6 h SER 82 CO -0.22 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.21 1ac6 n ASP 83 N -2.46 0.00 -4.63 4.97 8.00 0.20 -4.82 116.55 117.80 1ac6 n ASP 83 Ca 0.01 0.03 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 1ac6 n ASP 83 Cb 0.21 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1ac6 n ASP 83 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ac6 n SER 84 N -1.32 3.77 -3.74 -2.24 7.64 -1.10 -4.86 113.62 111.77 1ac6 n SER 84 Ca 0.10 0.63 0.02 0.00 1.01 0.00 0.00 58.87 60.63 1ac6 n SER 84 Cb 0.20 -1.53 0.01 0.00 -1.01 0.00 0.00 64.21 61.89 1ac6 n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ac6 s ALA 85 N 5.98 -2.32 -0.16 -0.43 0.00 -0.93 -4.56 121.76 119.33 1ac6 s ALA 85 Ca 0.94 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.83 1ac6 s ALA 85 Cb -0.41 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1ac6 s ALA 85 CO 0.40 -1.13 0.05 0.08 0.00 0.00 0.00 175.76 175.16 1ac6 s VAL 86 N -2.06 4.71 -0.16 0.00 1.01 -1.08 -0.38 120.40 122.44 1ac6 s VAL 86 Ca 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1ac6 s VAL 86 Cb -0.01 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1ac6 s VAL 86 CO 0.00 0.50 -0.11 -0.31 0.00 0.00 0.00 175.10 175.18 1ac6 s TYR 87 N 0.06 2.85 0.13 5.22 1.51 -0.65 -1.03 117.35 125.44 1ac6 s TYR 87 Ca 0.05 -0.81 0.06 0.00 -1.01 0.00 0.00 57.07 55.37 1ac6 s TYR 87 Cb -0.12 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1ac6 s TYR 87 CO 0.01 -0.35 -0.01 0.71 -1.11 0.00 0.00 175.55 174.80 1ac6 s TYR 88 N 0.72 2.90 -0.13 2.71 2.02 -0.52 -1.95 117.35 123.10 1ac6 s TYR 88 Ca -0.05 -0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1ac6 s TYR 88 Cb -0.15 -1.45 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1ac6 s TYR 88 CO 0.02 0.49 -0.10 0.00 -1.57 0.00 0.00 175.55 174.39 1ac6 s ALA 90 N 0.22 2.84 -0.12 0.00 0.00 -0.05 -0.43 121.76 124.22 1ac6 s ALA 90 Ca -0.07 -2.14 -0.11 0.00 0.00 0.00 0.00 51.96 49.65 1ac6 s ALA 90 Cb -0.15 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1ac6 s ALA 90 CO 0.04 -0.09 0.32 -1.17 0.00 0.00 0.00 175.76 174.86 1ac6 s LEU 91 N -3.60 0.76 -0.10 0.00 0.20 -0.34 -1.66 118.68 113.94 1ac6 s LEU 91 Ca 0.34 0.64 -0.01 0.00 0.69 0.00 0.00 54.13 55.78 1ac6 s LEU 91 Cb 0.07 1.08 0.03 0.00 -0.43 0.00 0.00 46.19 46.94 1ac6 s LEU 91 CO 0.16 -0.11 -0.00 -0.55 -0.29 0.00 0.00 176.35 175.56 1ac6 s SER 92 N 0.22 1.92 0.00 3.68 0.15 -0.47 -0.42 113.70 118.78 1ac6 s SER 92 Ca -0.00 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1ac6 s SER 92 Cb -0.03 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1ac6 s SER 92 CO -0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ac6 n GLY 93 N 5.10 0.87 3.08 9.45 0.00 -1.26 -0.58 105.19 121.85 1ac6 n GLY 93 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1ac6 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ac6 n GLY 96 N 5.00 2.46 1.41 -0.02 0.00 -1.26 -4.65 105.19 108.13 1ac6 n GLY 96 Ca 0.00 -1.19 0.18 0.00 0.00 0.00 0.00 46.02 45.02 1ac6 n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ac6 n ASN 97 N 7.22 -8.31 0.00 1.61 3.02 -1.26 -4.84 115.26 112.70 1ac6 n ASN 97 Ca 0.48 0.81 0.00 0.00 -0.03 0.00 0.00 54.58 55.84 1ac6 n ASN 97 Cb 0.37 -4.44 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 1ac6 n ASN 97 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ac6 n ASN 98 N -4.33 0.00 -4.72 6.41 4.13 -1.26 -4.90 115.26 110.59 1ac6 n ASN 98 Ca -0.02 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.82 1ac6 n ASN 98 Cb 0.67 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.88 1ac6 n ASN 98 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ac6 s LYS 99 N 0.00 4.26 -0.11 3.52 2.20 -1.26 -5.05 119.74 123.30 1ac6 s LYS 99 Ca 0.00 2.26 -0.01 0.00 -0.36 0.00 0.00 55.97 57.86 1ac6 s LYS 99 Cb 0.00 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1ac6 s LYS 99 CO 0.00 -0.52 -0.07 -0.51 -0.36 0.00 0.00 175.35 173.89 1ac6 s LEU 100 N 0.90 3.09 -0.17 5.43 1.02 -1.26 -4.05 118.68 123.64 1ac6 s LEU 100 Ca 0.67 -0.13 -0.03 0.00 0.02 0.00 0.00 54.13 54.65 1ac6 s LEU 100 Cb -0.41 -1.70 -0.02 0.00 0.02 0.00 0.00 46.19 44.07 1ac6 s LEU 100 CO 0.33 0.25 -0.05 -0.89 0.02 0.00 0.00 176.35 176.01 1ac6 s THR 101 N -0.14 3.65 -0.02 5.49 2.01 0.43 -4.91 115.64 122.16 1ac6 s THR 101 Ca 0.02 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1ac6 s THR 101 Cb -0.13 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1ac6 s THR 101 CO 0.03 0.47 0.09 -0.36 -0.69 0.00 0.00 174.62 174.16 1ac6 s PHE 102 N 0.70 3.32 1.03 4.92 0.40 -1.26 -1.20 117.98 125.89 1ac6 s PHE 102 Ca -0.02 0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.37 1ac6 s PHE 102 Cb -0.15 -1.76 0.23 0.00 0.51 0.00 0.00 43.02 41.85 1ac6 s PHE 102 CO 0.02 0.57 1.30 0.20 0.70 0.00 0.00 175.22 178.01 1ac6 s GLY 103 N -1.66 1.77 0.45 4.36 0.00 0.42 -4.76 107.32 107.91 1ac6 s GLY 103 Ca 0.22 -1.23 0.25 0.00 0.00 0.00 0.00 44.72 43.96 1ac6 s GLY 103 CO 0.13 -0.40 1.70 0.00 0.00 0.00 0.00 173.10 174.52 1ac6 h ALA 104 N -1.89 1.00 0.00 3.20 0.00 -1.89 -3.44 119.26 116.24 1ac6 h ALA 104 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ac6 h ALA 104 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ac6 h ALA 104 CO 0.34 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1ac6 n GLY 105 N 0.87 1.77 2.96 0.00 0.00 -1.26 -5.03 105.19 104.50 1ac6 n GLY 105 Ca 0.03 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 1ac6 n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ac6 s THR 106 N -2.38 0.90 -0.37 2.61 2.01 -0.82 -4.20 115.64 113.39 1ac6 s THR 106 Ca 0.00 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.40 1ac6 s THR 106 Cb 0.00 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.67 1ac6 s THR 106 CO 0.00 0.31 1.04 -0.75 -0.69 0.00 0.00 174.62 174.53 1ac6 s LYS 107 N 0.90 3.91 -0.31 4.92 2.36 0.36 -1.63 119.74 130.25 1ac6 s LYS 107 Ca -0.11 0.79 -0.14 0.00 -2.55 0.00 0.00 55.97 53.97 1ac6 s LYS 107 Cb -0.15 -3.80 -0.03 0.00 -1.05 0.00 0.00 37.83 32.81 1ac6 s LYS 107 CO 0.01 -1.02 0.30 -1.17 1.55 0.00 0.00 175.35 175.01 1ac6 s LEU 108 N 3.77 4.28 -0.33 5.43 0.20 0.48 -0.42 118.68 132.09 1ac6 s LEU 108 Ca 0.43 -0.12 -0.01 0.00 0.69 0.00 0.00 54.13 55.13 1ac6 s LEU 108 Cb -0.11 -2.26 0.07 0.00 -0.43 0.00 0.00 46.19 43.46 1ac6 s LEU 108 CO 0.20 -0.22 0.06 -0.89 -0.29 0.00 0.00 176.35 175.21 1ac6 s THR 109 N 1.91 2.96 0.52 3.68 2.01 -0.40 -2.20 115.64 124.11 1ac6 s THR 109 Ca 0.10 -1.69 -0.05 0.00 0.31 0.00 0.00 61.69 60.36 1ac6 s THR 109 Cb -0.16 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 1ac6 s THR 109 CO 0.11 -0.32 0.82 -0.63 -0.69 0.00 0.00 174.62 173.91 1ac6 s ILE 110 N 1.18 4.36 0.04 1.82 -1.09 -1.26 -0.93 121.20 125.32 1ac6 s ILE 110 Ca 0.00 0.07 0.04 0.00 -2.23 0.00 0.00 60.65 58.54 1ac6 s ILE 110 Cb -0.21 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 1ac6 s ILE 110 CO -0.03 -0.67 -0.13 -0.54 -1.23 0.00 0.00 174.94 172.35 1ac6 s LYS 111 N -4.82 0.81 0.00 2.79 3.01 -1.06 -4.90 119.74 115.57 1ac6 s LYS 111 Ca 0.50 -0.77 0.29 0.00 -1.01 0.00 0.00 55.97 54.98 1ac6 s LYS 111 Cb -0.10 -0.78 1.20 0.00 -1.01 0.00 0.00 37.83 37.14 1ac6 s LYS 111 CO 0.44 0.19 1.83 -0.35 0.51 0.00 0.00 175.35 177.97