#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 -0.38 -0.02 -2.24 1.04 0.19 -4.97 113.70 107.31 1ac6 s SER 2 Ca 0.00 0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.61 1ac6 s SER 2 Cb 0.00 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1ac6 s SER 2 CO 0.00 -0.69 -0.19 -0.69 0.98 0.00 0.00 173.24 172.65 1ac6 s VAL 3 N -2.38 1.54 -0.07 5.02 1.01 -1.26 -1.54 120.40 122.72 1ac6 s VAL 3 Ca -0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1ac6 s VAL 3 Cb -0.01 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1ac6 s VAL 3 CO -0.01 0.44 0.04 -0.89 0.00 0.00 0.00 175.10 174.68 1ac6 s THR 4 N -0.41 0.07 0.39 3.92 2.01 -0.70 -4.69 115.64 116.24 1ac6 s THR 4 Ca 0.06 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.33 1ac6 s THR 4 Cb -0.08 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1ac6 s THR 4 CO -0.00 0.14 0.06 0.00 -0.69 0.00 0.00 174.62 174.12 1ac6 s GLN 5 N 2.09 1.86 -0.31 4.92 -2.07 -1.26 -1.14 119.66 123.76 1ac6 s GLN 5 Ca 0.04 -2.09 -0.34 0.00 -1.82 0.00 0.00 55.36 51.16 1ac6 s GLN 5 Cb -0.13 -1.06 -0.10 0.00 -1.09 0.00 0.00 33.01 30.63 1ac6 s GLN 5 CO -0.05 -0.26 2.19 2.41 -1.32 0.00 0.00 175.29 178.26 1ac6 n THR 6 N -0.89 0.23 -2.09 3.63 -1.04 -0.75 -4.92 114.28 108.44 1ac6 n THR 6 Ca -0.06 -0.30 -0.31 0.00 -2.04 0.00 0.00 64.05 61.34 1ac6 n THR 6 Cb 0.66 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1ac6 n THR 6 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1ac6 s GLU 7 N 6.17 3.64 5.70 -2.82 -1.05 -1.26 -4.35 118.70 124.72 1ac6 s GLU 7 Ca 1.07 0.67 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 1ac6 s GLU 7 Cb -0.74 -2.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 1ac6 s GLU 7 CO 0.46 -0.46 0.00 0.41 0.95 0.00 0.00 175.26 176.63 1ac6 n GLY 8 N -2.48 1.10 3.26 -3.83 0.00 -1.26 -4.90 105.19 97.08 1ac6 n GLY 8 Ca 0.05 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 1.07 -0.18 1.61 0.74 -1.26 -1.18 119.66 120.46 1ac6 s GLN 9 Ca 0.00 -1.26 -0.05 0.00 0.05 0.00 0.00 55.36 54.10 1ac6 s GLN 9 Cb 0.00 -0.99 0.06 0.00 1.10 0.00 0.00 33.01 33.18 1ac6 s GLN 9 CO 0.00 0.19 0.08 0.08 -0.55 0.00 0.00 175.29 175.10 1ac6 s VAL 10 N -2.08 -0.01 -0.34 1.34 1.01 -0.73 -4.95 120.40 114.64 1ac6 s VAL 10 Ca 0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1ac6 s VAL 10 Cb -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1ac6 s VAL 10 CO 0.04 -0.28 0.15 0.00 0.00 0.00 0.00 175.10 175.01 1ac6 s ALA 11 N 2.10 3.20 0.45 5.51 0.00 -1.26 -1.66 121.76 130.11 1ac6 s ALA 11 Ca 0.02 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.46 1ac6 s ALA 11 Cb -0.16 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1ac6 s ALA 11 CO -0.10 -1.15 0.15 -0.51 0.00 0.00 0.00 175.76 174.16 1ac6 s LEU 12 N 1.54 2.84 0.31 0.00 1.02 -0.13 -4.99 118.68 119.27 1ac6 s LEU 12 Ca 0.02 -1.27 0.08 0.00 0.02 0.00 0.00 54.13 52.99 1ac6 s LEU 12 Cb -0.18 -1.17 -0.04 0.00 0.02 0.00 0.00 46.19 44.82 1ac6 s LEU 12 CO 0.05 -0.68 0.12 -0.44 0.02 0.00 0.00 176.35 175.41 1ac6 s SER 13 N -3.93 4.75 0.68 2.29 0.01 -1.26 -0.92 113.70 115.32 1ac6 s SER 13 Ca 0.32 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.73 1ac6 s SER 13 Cb 0.03 -0.84 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 1ac6 s SER 13 CO 0.18 -0.20 1.10 -0.62 0.41 0.00 0.00 173.24 174.11 1ac6 n GLU 14 N -1.09 0.77 -0.32 12.44 1.02 -0.77 -2.09 120.64 130.60 1ac6 n GLU 14 Ca -0.04 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1ac6 n GLU 14 Cb 0.60 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 -1.80 0.00 -1.19 3.49 -0.58 0.24 -4.90 120.64 115.90 1ac6 n GLU 15 Ca 0.14 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.59 1ac6 n GLU 15 Cb 0.49 -2.73 0.15 0.00 -0.57 0.00 0.00 31.44 28.78 1ac6 n GLU 15 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ac6 s ASP 16 N -3.02 3.18 -0.20 1.62 1.11 -0.89 -4.41 116.67 114.05 1ac6 s ASP 16 Ca 0.00 1.40 -0.11 0.00 0.18 0.00 0.00 52.55 54.01 1ac6 s ASP 16 Cb 0.00 -2.07 -0.05 0.00 1.07 0.00 0.00 42.92 41.87 1ac6 s ASP 16 CO 0.00 -2.81 0.18 0.12 1.18 0.00 0.00 175.17 173.84 1ac6 s PHE 17 N -2.94 3.40 -0.09 4.23 2.19 -1.25 0.31 117.98 123.83 1ac6 s PHE 17 Ca 0.64 0.37 -0.03 0.00 0.33 0.00 0.00 56.93 58.24 1ac6 s PHE 17 Cb -0.18 -2.24 -0.04 0.00 -1.31 0.00 0.00 43.02 39.25 1ac6 s PHE 17 CO 0.57 0.21 0.06 -1.17 1.83 0.00 0.00 175.22 176.72 1ac6 s LEU 18 N 0.59 3.88 -0.18 6.12 2.96 0.13 -4.95 118.68 127.22 1ac6 s LEU 18 Ca 0.10 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.22 1ac6 s LEU 18 Cb -0.12 -1.95 0.08 0.00 0.50 0.00 0.00 46.19 44.70 1ac6 s LEU 18 CO 0.01 0.38 0.22 -0.89 -1.32 0.00 0.00 176.35 174.75 1ac6 s THR 19 N -0.97 -0.34 -0.14 3.68 2.01 -1.24 -1.79 115.64 116.85 1ac6 s THR 19 Ca 0.15 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1ac6 s THR 19 Cb -0.12 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1ac6 s THR 19 CO 0.04 -0.12 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.07 1ac6 s ILE 20 N 2.34 2.73 0.31 1.82 1.01 0.46 -4.95 121.20 124.92 1ac6 s ILE 20 Ca 0.06 -0.76 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1ac6 s ILE 20 Cb -0.15 -2.14 -0.08 0.00 0.01 0.00 0.00 42.46 40.10 1ac6 s ILE 20 CO -0.11 0.52 0.69 -1.00 0.00 0.00 0.00 174.94 175.04 1ac6 s HIS 21 N 0.66 3.40 -0.26 3.97 3.76 -1.26 -0.36 115.29 125.20 1ac6 s HIS 21 Ca -0.08 1.09 -0.12 0.00 -0.15 0.00 0.00 55.06 55.80 1ac6 s HIS 21 Cb -0.16 -2.44 0.09 0.00 1.11 0.00 0.00 32.58 31.19 1ac6 s HIS 21 CO 0.02 0.10 0.61 0.00 -0.85 0.00 0.00 174.74 174.63 1ac6 s ASN 23 N 2.13 2.81 0.26 0.00 -0.87 -0.29 -0.24 114.94 118.75 1ac6 s ASN 23 Ca -0.08 -0.86 0.03 0.00 -1.57 0.00 0.00 52.86 50.38 1ac6 s ASN 23 Cb -0.09 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.25 40.93 1ac6 s ASN 23 CO -0.18 -0.00 0.19 -0.72 -2.57 0.00 0.00 177.10 173.82 1ac6 s TYR 24 N -1.96 1.44 -0.21 2.20 1.13 0.23 -1.72 117.35 118.47 1ac6 s TYR 24 Ca 0.16 -1.49 -0.04 0.00 -1.41 0.00 0.00 57.07 54.30 1ac6 s TYR 24 Cb -0.06 -0.65 0.11 0.00 -1.10 0.00 0.00 41.96 40.25 1ac6 s TYR 24 CO 0.07 -0.72 0.31 0.45 -2.51 0.00 0.00 175.55 173.15 1ac6 s SER 25 N -3.27 0.63 -0.00 -0.18 0.15 -0.59 -4.90 113.70 105.54 1ac6 s SER 25 Ca 0.39 0.15 -0.18 0.00 0.70 0.00 0.00 55.95 57.02 1ac6 s SER 25 Cb 0.05 0.82 0.03 0.00 -1.71 0.00 0.00 66.02 65.21 1ac6 s SER 25 CO 0.19 -0.30 0.38 0.00 1.20 0.00 0.00 173.24 174.71 1ac6 s ALA 26 N 2.46 -0.95 0.36 5.45 0.00 -1.26 -0.64 121.76 127.17 1ac6 s ALA 26 Ca 0.09 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1ac6 s ALA 26 Cb -0.15 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1ac6 s ALA 26 CO -0.13 -0.33 0.53 0.45 0.00 0.00 0.00 175.76 176.27 1ac6 s SER 27 N -1.54 6.03 0.00 0.00 0.15 -1.26 -4.93 113.70 112.16 1ac6 s SER 27 Ca -0.11 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1ac6 s SER 27 Cb -0.03 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 1ac6 s SER 27 CO 0.03 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1ac6 n GLY 28 N -1.76 -0.46 2.51 9.45 0.00 -1.26 -4.51 105.19 109.16 1ac6 n GLY 28 Ca -0.02 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1ac6 n GLY 28 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ac6 n TYR 29 N 0.00 1.58 -0.97 1.61 4.19 -1.26 -5.13 117.16 117.18 1ac6 n TYR 29 Ca 0.00 -3.87 -0.32 0.00 3.31 0.00 0.00 57.90 57.02 1ac6 n TYR 29 Cb 0.00 -0.33 0.14 0.00 0.49 0.00 0.00 39.34 39.64 1ac6 n TYR 29 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1ac6 s PRO 30 N -1.29 1.48 0.26 2.98 0.04 -1.26 -5.01 135.00 132.20 1ac6 s PRO 30 Ca 0.33 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 1ac6 s PRO 30 Cb 0.07 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1ac6 s PRO 30 CO -0.13 -2.29 0.51 0.00 0.04 0.00 0.00 177.00 175.14 1ac6 s ALA 31 N -2.49 3.66 -0.02 8.56 0.00 -0.41 -4.84 121.76 126.23 1ac6 s ALA 31 Ca 0.68 -0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.13 1ac6 s ALA 31 Cb -0.24 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1ac6 s ALA 31 CO 0.54 0.33 -0.21 -0.51 0.00 0.00 0.00 175.76 175.91 1ac6 s LEU 32 N -3.37 2.03 0.38 0.00 1.43 -0.48 -1.96 118.68 116.71 1ac6 s LEU 32 Ca 0.43 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1ac6 s LEU 32 Cb -0.11 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1ac6 s LEU 32 CO 0.28 0.25 0.10 -0.36 0.23 0.00 0.00 176.35 176.86 1ac6 s PHE 33 N -0.44 1.82 -0.13 0.29 0.40 -0.30 -0.98 117.98 118.64 1ac6 s PHE 33 Ca 0.07 -1.18 -0.06 0.00 -0.60 0.00 0.00 56.93 55.15 1ac6 s PHE 33 Cb -0.09 -1.19 0.06 0.00 0.51 0.00 0.00 43.02 42.30 1ac6 s PHE 33 CO -0.00 -0.20 0.30 -1.58 0.70 0.00 0.00 175.22 174.44 1ac6 s TRP 34 N -3.25 -0.45 0.12 0.36 0.52 -1.04 -2.71 118.94 112.48 1ac6 s TRP 34 Ca 0.27 1.01 0.09 0.00 0.02 0.00 0.00 56.10 57.49 1ac6 s TRP 34 Cb 0.04 0.10 -0.04 0.00 -1.15 0.00 0.00 33.47 32.43 1ac6 s TRP 34 CO 0.14 -0.31 -0.22 0.71 0.02 0.00 0.00 176.95 177.29 1ac6 s TYR 35 N 1.67 1.95 0.05 -1.98 1.51 -0.87 -1.00 117.35 118.69 1ac6 s TYR 35 Ca -0.06 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.66 1ac6 s TYR 35 Cb -0.10 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1ac6 s TYR 35 CO -0.10 0.26 -0.17 0.08 -1.11 0.00 0.00 175.55 174.51 1ac6 s VAL 36 N -1.22 2.86 -0.39 0.71 1.01 0.78 -2.15 120.40 121.99 1ac6 s VAL 36 Ca 0.10 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1ac6 s VAL 36 Cb -0.10 -2.23 0.14 0.00 0.00 0.00 0.00 36.38 34.19 1ac6 s VAL 36 CO 0.05 0.30 0.22 -1.58 0.00 0.00 0.00 175.10 174.09 1ac6 s GLN 37 N -1.56 0.91 0.62 2.72 0.74 -0.07 0.43 119.66 123.44 1ac6 s GLN 37 Ca 0.15 -1.63 -0.17 0.00 0.05 0.00 0.00 55.36 53.76 1ac6 s GLN 37 Cb -0.11 -1.83 -0.02 0.00 1.10 0.00 0.00 33.01 32.15 1ac6 s GLN 37 CO 0.06 -1.17 1.14 0.71 -0.55 0.00 0.00 175.29 175.49 1ac6 s TYR 38 N 0.77 2.53 -0.03 1.67 2.02 -1.26 -2.64 117.35 120.40 1ac6 s TYR 38 Ca 0.17 1.55 -0.35 0.00 -0.37 0.00 0.00 57.07 58.07 1ac6 s TYR 38 Cb -0.23 -3.30 -0.13 0.00 -0.40 0.00 0.00 41.96 37.90 1ac6 s TYR 38 CO -0.01 -1.85 1.75 -2.30 -1.57 0.00 0.00 175.55 171.57 1ac6 n PRO 39 N -1.94 2.02 -0.60 -1.71 -0.02 -1.26 -1.91 135.00 129.57 1ac6 n PRO 39 Ca 0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1ac6 n PRO 39 Cb 0.51 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 4.00 0.64 3.30 -1.23 0.00 -1.26 -5.06 105.19 105.58 1ac6 n GLY 40 Ca 0.21 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1ac6 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ac6 n GLU 41 N -2.60 0.45 -3.02 1.61 1.02 -0.80 -5.17 120.64 112.12 1ac6 n GLU 41 Ca 0.00 -3.43 -0.17 0.00 -0.02 0.00 0.00 57.16 53.54 1ac6 n GLU 41 Cb 0.00 2.58 0.01 0.00 -0.02 0.00 0.00 31.44 34.01 1ac6 n GLU 41 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ac6 s GLY 42 N -3.42 1.92 0.38 0.62 0.00 -1.26 -4.77 107.32 100.79 1ac6 s GLY 42 Ca 0.36 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 43.16 1ac6 s GLY 42 CO 0.25 -1.46 1.50 -1.05 0.00 0.00 0.00 173.10 172.34 1ac6 n PRO 43 N -1.86 2.70 -4.66 2.90 -0.02 -1.26 -4.63 135.00 128.17 1ac6 n PRO 43 Ca 0.07 0.95 -0.22 0.00 -2.02 0.00 0.00 63.50 62.27 1ac6 n PRO 43 Cb 0.59 -2.68 -0.15 0.00 -0.02 0.00 0.00 33.50 31.24 1ac6 n PRO 43 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1ac6 s GLN 44 N -2.07 1.16 0.00 -0.52 -2.07 0.17 -4.90 119.66 111.43 1ac6 s GLN 44 Ca 0.53 -0.51 -0.35 0.00 -1.82 0.00 0.00 55.36 53.21 1ac6 s GLN 44 Cb -0.47 -1.12 -0.13 0.00 -1.09 0.00 0.00 33.01 30.19 1ac6 s GLN 44 CO 0.64 0.31 1.71 0.34 -1.32 0.00 0.00 175.29 176.96 1ac6 n PHE 45 N 2.73 2.22 -0.10 9.60 7.35 -1.26 -0.16 117.46 137.84 1ac6 n PHE 45 Ca -0.14 0.20 -0.13 0.00 -0.76 0.00 0.00 57.45 56.61 1ac6 n PHE 45 Cb 0.55 -2.57 -0.04 0.00 0.35 0.00 0.00 39.48 37.76 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 4.97 1.90 -3.76 -2.13 7.94 -0.17 -4.84 117.00 120.92 1ac6 n LEU 46 Ca 0.20 0.32 -0.04 0.00 -1.11 0.00 0.00 56.01 55.39 1ac6 n LEU 46 Cb 0.27 -0.74 -0.01 0.00 0.53 0.00 0.00 43.42 43.47 1ac6 n LEU 46 CO 0.69 -0.09 0.69 0.72 -1.11 0.00 0.00 177.39 178.29 1ac6 s PHE 47 N -2.78 -0.14 0.03 1.96 -0.12 -1.14 -4.59 117.98 111.20 1ac6 s PHE 47 Ca -0.30 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.42 1ac6 s PHE 47 Cb 0.06 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 43.08 1ac6 s PHE 47 CO 0.43 -0.86 -0.05 0.50 -0.05 0.00 0.00 175.22 175.18 1ac6 s ARG 48 N -3.35 0.39 -0.09 1.99 3.52 -1.26 -2.50 118.95 117.65 1ac6 s ARG 48 Ca 0.12 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1ac6 s ARG 48 Cb -0.02 -0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.28 1ac6 s ARG 48 CO 0.02 0.01 -0.07 0.00 -0.81 0.00 0.00 175.30 174.46 1ac6 s ALA 49 N -1.22 1.11 -0.09 6.12 0.00 -0.15 -4.42 121.76 123.11 1ac6 s ALA 49 Ca -0.11 -0.38 0.20 0.00 0.00 0.00 0.00 51.96 51.67 1ac6 s ALA 49 Cb -0.09 -0.74 -0.29 0.00 0.00 0.00 0.00 23.12 22.00 1ac6 s ALA 49 CO -0.00 -0.25 0.32 -1.13 0.00 0.00 0.00 175.76 174.69 1ac6 n SER 50 N 4.60 0.20 -4.51 0.00 3.41 -1.26 -1.38 113.62 114.68 1ac6 n SER 50 Ca -0.16 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.19 1ac6 n SER 50 Cb 0.50 1.60 -0.10 0.00 -0.26 0.00 0.00 64.21 65.95 1ac6 n SER 50 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ac6 s ARG 51 N -3.09 1.85 0.11 4.33 0.52 -1.26 -4.72 118.95 116.68 1ac6 s ARG 51 Ca -0.08 -1.36 -0.31 0.00 -0.52 0.00 0.00 55.73 53.45 1ac6 s ARG 51 Cb 0.11 -2.04 -0.10 0.00 0.52 0.00 0.00 34.95 33.44 1ac6 s ARG 51 CO 0.84 0.42 1.76 0.34 0.02 0.00 0.00 175.30 178.69 1ac6 s ASP 52 N -2.75 6.48 0.00 0.23 2.15 -1.26 -1.30 116.67 120.21 1ac6 s ASP 52 Ca 0.23 2.68 0.00 0.00 0.43 0.00 0.00 52.55 55.89 1ac6 s ASP 52 Cb -0.08 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 1ac6 s ASP 52 CO 0.13 -0.96 0.00 0.29 -0.17 0.00 0.00 175.17 174.46 1ac6 n LYS 53 N 5.49 0.00 -2.51 4.34 5.02 0.27 -5.00 118.16 125.77 1ac6 n LYS 53 Ca 0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 1ac6 n LYS 53 Cb 0.39 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.31 4.52 -0.44 1.97 2.12 -0.42 -4.65 118.70 121.49 1ac6 s GLU 54 Ca 0.00 1.68 -0.12 0.00 0.36 0.00 0.00 54.97 56.89 1ac6 s GLU 54 Cb 0.00 -3.34 0.07 0.00 0.26 0.00 0.00 34.13 31.12 1ac6 s GLU 54 CO 0.00 -0.09 0.32 0.21 -0.54 0.00 0.00 175.26 175.15 1ac6 s LYS 55 N 0.53 2.81 0.60 4.30 2.20 -1.26 -1.12 119.74 127.79 1ac6 s LYS 55 Ca 0.54 -1.36 -0.15 0.00 -0.36 0.00 0.00 55.97 54.64 1ac6 s LYS 55 Cb -0.28 -3.95 -0.04 0.00 -1.51 0.00 0.00 37.83 32.06 1ac6 s LYS 55 CO 0.31 -0.96 1.04 0.20 -0.36 0.00 0.00 175.35 175.58 1ac6 s GLY 56 N 2.28 2.00 -0.23 5.54 0.00 0.89 -4.83 107.32 112.98 1ac6 s GLY 56 Ca 0.03 0.26 -0.27 0.00 0.00 0.00 0.00 44.72 44.75 1ac6 s GLY 56 CO 0.05 0.57 0.90 -1.35 0.00 0.00 0.00 173.10 173.26 1ac6 s SER 57 N -3.11 -0.54 -0.28 1.64 1.04 -1.26 -1.02 113.70 110.17 1ac6 s SER 57 Ca 0.61 0.92 -0.21 0.00 0.48 0.00 0.00 55.95 57.74 1ac6 s SER 57 Cb -0.14 0.89 0.11 0.00 0.10 0.00 0.00 66.02 66.98 1ac6 s SER 57 CO 0.40 -0.27 0.91 -0.55 0.98 0.00 0.00 173.24 174.71 1ac6 s SER 58 N -0.16 -0.59 -1.74 7.02 0.15 0.34 -4.89 113.70 113.83 1ac6 s SER 58 Ca -0.00 1.05 -0.00 0.00 0.70 0.00 0.00 55.95 57.70 1ac6 s SER 58 Cb -0.04 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1ac6 s SER 58 CO -0.01 -0.18 0.01 0.54 1.20 0.00 0.00 173.24 174.81 1ac6 n ARG 59 N 2.98 -1.79 -0.45 5.44 1.74 -1.26 -0.79 116.66 122.52 1ac6 n ARG 59 Ca -0.15 0.99 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1ac6 n ARG 59 Cb 0.57 -5.66 0.00 0.00 -1.02 0.00 0.00 32.46 26.35 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 -1.02 0.93 3.91 -0.13 0.00 -1.26 -5.05 105.19 102.58 1ac6 n GLY 60 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.01 3.48 0.02 1.61 0.40 0.03 -4.51 117.98 116.01 1ac6 s PHE 61 Ca 0.00 0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 56.52 1ac6 s PHE 61 Cb 0.00 -1.94 0.08 0.00 0.51 0.00 0.00 43.02 41.66 1ac6 s PHE 61 CO 0.00 0.42 0.69 -1.83 0.70 0.00 0.00 175.22 175.21 1ac6 s GLU 62 N -2.86 1.08 -0.11 0.44 -1.05 -1.07 -0.50 118.70 114.63 1ac6 s GLU 62 Ca 0.40 -0.07 -0.13 0.00 -0.15 0.00 0.00 54.97 55.02 1ac6 s GLU 62 Cb -0.12 0.50 0.03 0.00 -0.44 0.00 0.00 34.13 34.11 1ac6 s GLU 62 CO 0.26 -0.41 0.35 0.00 0.95 0.00 0.00 175.26 176.41 1ac6 s ALA 63 N -2.29 -0.86 -0.18 -0.84 0.00 -0.18 -2.04 121.76 115.37 1ac6 s ALA 63 Ca -0.04 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 1ac6 s ALA 63 Cb -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1ac6 s ALA 63 CO -0.01 -0.18 0.01 0.99 0.00 0.00 0.00 175.76 176.56 1ac6 s THR 64 N -0.09 4.16 -0.39 0.00 2.01 -1.26 -0.07 115.64 120.00 1ac6 s THR 64 Ca -0.02 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.44 1ac6 s THR 64 Cb -0.03 -2.86 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1ac6 s THR 64 CO 0.01 0.45 1.84 -0.47 -0.69 0.00 0.00 174.62 175.77 1ac6 s TYR 65 N 0.65 1.74 -0.31 4.92 6.14 -0.27 -4.47 117.35 125.75 1ac6 s TYR 65 Ca 0.00 0.70 -0.01 0.00 0.64 0.00 0.00 57.07 58.40 1ac6 s TYR 65 Cb -0.14 -4.09 0.06 0.00 0.42 0.00 0.00 41.96 38.21 1ac6 s TYR 65 CO 0.02 -2.82 0.01 1.21 0.64 0.00 0.00 175.55 174.61 1ac6 s ASN 66 N 6.78 4.86 0.18 4.32 3.84 -1.00 0.93 114.94 134.86 1ac6 s ASN 66 Ca 0.78 -1.41 0.18 0.00 0.21 0.00 0.00 52.86 52.62 1ac6 s ASN 66 Cb -0.20 -1.70 -0.01 0.00 -0.55 0.00 0.00 41.25 38.79 1ac6 s ASN 66 CO 0.31 -0.28 1.11 0.50 -2.79 0.00 0.00 177.10 175.94 1ac6 h LYS 67 N 7.95 0.00 -0.25 0.43 3.11 -1.93 -1.16 116.57 124.72 1ac6 h LYS 67 Ca -0.19 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.50 1ac6 h LYS 67 Cb 1.05 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.28 1ac6 h LYS 67 CO 0.54 0.27 -0.47 0.93 -2.81 0.00 0.00 179.45 177.91 1ac6 h GLU 68 N 0.00 0.65 -0.34 1.90 5.08 -1.97 -2.98 114.58 116.92 1ac6 h GLU 68 Ca -0.07 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1ac6 h GLU 68 Cb 1.37 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ac6 h GLU 68 CO 0.04 0.98 0.00 0.00 -1.00 0.00 0.00 179.01 179.03 1ac6 n ALA 69 N -2.52 2.41 -4.25 3.43 0.00 -1.25 -4.98 120.51 113.34 1ac6 n ALA 69 Ca -0.03 -0.96 -0.33 0.00 0.00 0.00 0.00 53.44 52.12 1ac6 n ALA 69 Cb 0.56 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 1.39 -0.61 -4.37 0.00 -2.24 -0.65 -4.88 114.28 102.92 1ac6 n THR 70 Ca 0.18 -0.30 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 1ac6 n THR 70 Cb 0.58 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 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 -3.88 2.61 -0.38 3.42 1.04 -0.53 -0.60 113.70 115.38 1ac6 s SER 71 Ca 0.28 -1.09 0.12 0.00 0.48 0.00 0.00 55.95 55.73 1ac6 s SER 71 Cb -0.16 -0.14 0.36 0.00 0.10 0.00 0.00 66.02 66.18 1ac6 s SER 71 CO 0.94 -0.24 0.83 0.33 0.98 0.00 0.00 173.24 176.08 1ac6 n PHE 72 N -0.45 -0.26 -2.17 5.02 7.35 0.67 -2.37 117.46 125.25 1ac6 n PHE 72 Ca -0.07 -3.38 -0.40 0.00 -0.76 0.00 0.00 57.45 52.84 1ac6 n PHE 72 Cb 0.62 -0.04 -0.02 0.00 0.35 0.00 0.00 39.48 40.39 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 -2.02 3.10 -0.07 -5.13 3.76 -1.26 -4.46 115.29 109.21 1ac6 s HIS 73 Ca 0.35 1.46 -0.09 0.00 -0.15 0.00 0.00 55.06 56.63 1ac6 s HIS 73 Cb 0.35 -3.60 -0.05 0.00 1.11 0.00 0.00 32.58 30.39 1ac6 s HIS 73 CO -0.06 -1.66 0.23 -1.17 -0.85 0.00 0.00 174.74 171.23 1ac6 s LEU 74 N -1.85 4.41 0.05 0.89 2.96 0.51 -4.21 118.68 121.44 1ac6 s LEU 74 Ca 0.50 0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 54.98 1ac6 s LEU 74 Cb -0.38 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1ac6 s LEU 74 CO 0.50 0.37 0.08 -1.10 -1.32 0.00 0.00 176.35 174.88 1ac6 s GLN 75 N -1.13 0.62 -0.24 1.98 -0.21 -0.86 -0.40 119.66 119.42 1ac6 s GLN 75 Ca 0.19 -0.86 -0.09 0.00 0.02 0.00 0.00 55.36 54.62 1ac6 s GLN 75 Cb -0.14 0.24 0.10 0.00 1.00 0.00 0.00 33.01 34.21 1ac6 s GLN 75 CO 0.08 -0.15 0.52 0.21 -2.12 0.00 0.00 175.29 173.83 1ac6 s LYS 76 N -2.98 0.45 0.44 2.91 2.20 -0.74 -2.60 119.74 119.41 1ac6 s LYS 76 Ca -0.02 1.17 0.10 0.00 -0.36 0.00 0.00 55.97 56.86 1ac6 s LYS 76 Cb 0.01 0.47 0.97 0.00 -1.51 0.00 0.00 37.83 37.77 1ac6 s LYS 76 CO -0.06 -0.22 2.07 0.00 -0.36 0.00 0.00 175.35 176.78 1ac6 h ALA 77 N 7.92 1.81 -2.08 3.13 0.00 -1.85 0.36 119.26 128.55 1ac6 h ALA 77 Ca -0.20 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 1ac6 h ALA 77 Cb 1.12 -0.12 -0.32 0.00 0.00 0.00 0.00 17.79 18.47 1ac6 h ALA 77 CO 0.13 0.17 -0.61 -1.54 0.00 0.00 0.00 179.25 177.40 1ac6 s SER 78 N -6.73 1.40 0.38 0.00 1.04 -1.20 -3.80 113.70 104.80 1ac6 s SER 78 Ca -0.07 -0.64 -0.23 0.00 0.48 0.00 0.00 55.95 55.48 1ac6 s SER 78 Cb 0.18 0.62 -0.10 0.00 0.10 0.00 0.00 66.02 66.82 1ac6 s SER 78 CO 0.72 -0.38 0.96 0.54 0.98 0.00 0.00 173.24 176.06 1ac6 s VAL 79 N 2.40 4.26 0.11 5.02 0.11 0.15 -4.66 120.40 127.78 1ac6 s VAL 79 Ca 0.09 1.62 0.03 0.00 -2.93 0.00 0.00 61.98 60.80 1ac6 s VAL 79 Cb -0.14 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1ac6 s VAL 79 CO -0.31 -0.10 -0.09 0.00 -3.33 0.00 0.00 175.10 171.27 1ac6 s GLN 80 N -2.64 0.89 0.17 1.54 1.03 -1.26 0.83 119.66 120.21 1ac6 s GLN 80 Ca 0.57 -1.28 -0.11 0.00 0.04 0.00 0.00 55.36 54.58 1ac6 s GLN 80 Cb -0.14 -0.45 0.19 0.00 0.03 0.00 0.00 33.01 32.64 1ac6 s GLN 80 CO 0.19 0.05 1.09 -1.91 -2.54 0.00 0.00 175.29 172.17 1ac6 n GLU 81 N 0.21 -0.15 0.00 9.60 4.07 -1.26 0.31 120.64 133.41 1ac6 n GLU 81 Ca -0.14 1.09 0.02 0.00 -0.06 0.00 0.00 57.16 58.07 1ac6 n GLU 81 Cb 0.59 -1.61 0.12 0.00 -0.06 0.00 0.00 31.44 30.48 1ac6 n GLU 81 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1ac6 n SER 82 N -5.05 0.00 -0.55 4.31 3.41 -1.26 -1.12 113.62 113.36 1ac6 n SER 82 Ca 0.08 -0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1ac6 n SER 82 Cb 0.29 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.43 1ac6 n SER 82 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ac6 n ASP 83 N -0.89 1.97 -4.62 4.04 8.00 0.15 -4.89 116.55 120.30 1ac6 n ASP 83 Ca 0.03 -1.49 -0.43 0.00 0.71 0.00 0.00 54.79 53.61 1ac6 n ASP 83 Cb 0.01 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1ac6 n ASP 83 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ac6 s SER 84 N -2.30 5.83 0.03 -2.24 0.01 -0.27 -4.81 113.70 109.95 1ac6 s SER 84 Ca 0.25 2.16 -0.13 0.00 1.31 0.00 0.00 55.95 59.54 1ac6 s SER 84 Cb 0.19 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.95 1ac6 s SER 84 CO 0.46 -1.62 0.59 0.00 0.41 0.00 0.00 173.24 173.08 1ac6 n ALA 85 N 10.12 -1.62 -3.21 1.44 0.00 -0.63 -4.68 120.51 121.94 1ac6 n ALA 85 Ca 0.26 -0.45 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 1ac6 n ALA 85 Cb 0.44 0.16 -0.14 0.00 0.00 0.00 0.00 19.45 19.91 1ac6 n ALA 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ac6 s VAL 86 N -2.18 3.41 -0.12 0.00 1.01 -1.08 -0.17 120.40 121.28 1ac6 s VAL 86 Ca 0.14 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1ac6 s VAL 86 Cb -0.01 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1ac6 s VAL 86 CO 0.01 0.48 -0.01 -0.31 0.00 0.00 0.00 175.10 175.26 1ac6 s TYR 87 N 0.79 3.10 -0.02 5.22 1.51 -0.66 -0.89 117.35 126.41 1ac6 s TYR 87 Ca -0.03 0.00 0.08 0.00 -1.01 0.00 0.00 57.07 56.12 1ac6 s TYR 87 Cb -0.15 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 1ac6 s TYR 87 CO 0.01 0.26 -0.25 0.71 -1.11 0.00 0.00 175.55 175.17 1ac6 s TYR 88 N -0.34 2.28 -0.08 2.71 2.02 -0.91 -1.26 117.35 121.76 1ac6 s TYR 88 Ca 0.06 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.29 1ac6 s TYR 88 Cb -0.12 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1ac6 s TYR 88 CO 0.02 -0.03 0.13 0.00 -1.57 0.00 0.00 175.55 174.10 1ac6 s ALA 90 N -1.11 0.85 -0.06 0.00 0.00 -1.10 -1.49 121.76 118.85 1ac6 s ALA 90 Ca 0.19 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 1ac6 s ALA 90 Cb -0.12 1.32 0.03 0.00 0.00 0.00 0.00 23.12 24.34 1ac6 s ALA 90 CO 0.08 -0.65 0.34 -1.17 0.00 0.00 0.00 175.76 174.37 1ac6 s LEU 91 N -3.13 0.71 -0.11 0.00 0.20 -0.81 -1.15 118.68 114.40 1ac6 s LEU 91 Ca 0.35 0.35 -0.01 0.00 0.69 0.00 0.00 54.13 55.52 1ac6 s LEU 91 Cb 0.05 1.30 0.03 0.00 -0.43 0.00 0.00 46.19 47.14 1ac6 s LEU 91 CO 0.11 -0.33 -0.06 -0.55 -0.29 0.00 0.00 176.35 175.24 1ac6 s SER 92 N -0.74 2.13 0.00 3.68 0.15 -0.83 -1.41 113.70 116.68 1ac6 s SER 92 Ca -0.08 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1ac6 s SER 92 Cb -0.04 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1ac6 s SER 92 CO 0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1ac6 n GLY 93 N 4.98 1.62 5.49 9.45 0.00 -1.26 -1.28 105.19 124.18 1ac6 n GLY 93 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.27 2.69 -0.02 0.00 -1.26 -1.95 105.19 104.92 1ac6 n GLY 96 Ca 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 46.02 46.33 1ac6 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ac6 n ASN 97 N 1.51 0.99 0.00 1.61 6.94 -1.26 -5.02 115.26 120.04 1ac6 n ASN 97 Ca 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 51.98 1ac6 n ASN 97 Cb 0.00 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1ac6 n ASN 97 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1ac6 n ASN 98 N -0.23 -1.05 -4.70 0.53 4.05 -0.82 -5.03 115.26 108.00 1ac6 n ASN 98 Ca 0.07 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.81 1ac6 n ASN 98 Cb 0.82 -0.59 -0.07 0.00 1.23 0.00 0.00 39.78 41.17 1ac6 n ASN 98 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 1ac6 s LYS 99 N -0.21 2.57 -0.10 1.20 -2.85 -1.26 -4.97 119.74 114.12 1ac6 s LYS 99 Ca 0.00 -0.92 -0.23 0.00 -1.00 0.00 0.00 55.97 53.82 1ac6 s LYS 99 Cb 0.00 -2.51 -0.03 0.00 -2.06 0.00 0.00 37.83 33.23 1ac6 s LYS 99 CO 0.00 0.51 0.69 -1.17 0.10 0.00 0.00 175.35 175.48 1ac6 s LEU 100 N -2.63 4.27 -0.25 2.77 2.96 -1.26 -4.26 118.68 120.28 1ac6 s LEU 100 Ca 0.27 1.11 -0.10 0.00 -0.22 0.00 0.00 54.13 55.20 1ac6 s LEU 100 Cb -0.11 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 1ac6 s LEU 100 CO 0.19 -0.17 0.14 -0.89 -1.32 0.00 0.00 176.35 174.31 1ac6 s THR 101 N 1.12 5.00 0.19 3.68 2.01 -0.50 -4.96 115.64 122.17 1ac6 s THR 101 Ca 0.36 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.48 1ac6 s THR 101 Cb -0.17 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1ac6 s THR 101 CO 0.16 0.31 0.12 -0.36 -0.69 0.00 0.00 174.62 174.16 1ac6 s PHE 102 N 1.44 3.07 0.16 4.92 0.40 -1.26 -1.92 117.98 124.79 1ac6 s PHE 102 Ca 0.06 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1ac6 s PHE 102 Cb -0.15 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 41.96 1ac6 s PHE 102 CO 0.07 0.52 0.22 0.41 0.70 0.00 0.00 175.22 177.15 1ac6 n GLY 103 N -0.48 0.82 0.21 4.36 0.00 -0.56 -4.63 105.19 104.91 1ac6 n GLY 103 Ca -0.08 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.06 1ac6 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ac6 h ALA 104 N -0.43 0.95 0.00 4.61 0.00 -1.89 -3.45 119.26 119.05 1ac6 h ALA 104 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ac6 h ALA 104 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ac6 h ALA 104 CO 0.08 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1ac6 n GLY 105 N 1.04 -0.64 3.22 0.00 0.00 -1.26 -5.02 105.19 102.54 1ac6 n GLY 105 Ca 0.03 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.00 2.04 -0.46 2.61 2.01 -0.39 -4.34 115.64 115.11 1ac6 s THR 106 Ca 0.00 -1.02 -0.24 0.00 0.31 0.00 0.00 61.69 60.74 1ac6 s THR 106 Cb 0.00 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 70.78 1ac6 s THR 106 CO 0.00 0.56 0.87 -0.75 -0.69 0.00 0.00 174.62 174.61 1ac6 s LYS 107 N 0.28 3.48 -0.40 4.92 2.36 -0.32 -1.65 119.74 128.40 1ac6 s LYS 107 Ca -0.17 0.04 -0.16 0.00 -2.55 0.00 0.00 55.97 53.13 1ac6 s LYS 107 Cb -0.17 -3.94 0.01 0.00 -1.05 0.00 0.00 37.83 32.68 1ac6 s LYS 107 CO 0.08 -1.19 0.38 -1.17 1.55 0.00 0.00 175.35 175.01 1ac6 s LEU 108 N 3.58 4.82 -0.24 5.43 1.98 0.77 -1.78 118.68 133.25 1ac6 s LEU 108 Ca 0.34 -0.63 -0.02 0.00 -2.89 0.00 0.00 54.13 50.93 1ac6 s LEU 108 Cb -0.11 -2.32 0.01 0.00 0.66 0.00 0.00 46.19 44.44 1ac6 s LEU 108 CO 0.25 -0.49 -0.06 0.28 -1.89 0.00 0.00 176.35 174.44 1ac6 s THR 109 N 2.00 3.02 -0.04 3.68 -1.32 -0.66 -1.60 115.64 120.71 1ac6 s THR 109 Ca 0.10 -0.84 -0.03 0.00 -1.21 0.00 0.00 61.69 59.71 1ac6 s THR 109 Cb -0.17 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 1ac6 s THR 109 CO 0.12 0.29 0.13 -0.63 -2.21 0.00 0.00 174.62 172.32 1ac6 s ILE 110 N 1.38 5.15 0.00 5.08 -1.09 -1.25 -0.96 121.20 129.51 1ac6 s ILE 110 Ca 0.02 -0.16 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 1ac6 s ILE 110 Cb -0.16 -3.34 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1ac6 s ILE 110 CO -0.04 0.42 -0.12 -1.59 -1.23 0.00 0.00 174.94 172.38 1ac6 s LYS 111 N -1.59 0.90 0.00 2.79 -2.85 -0.10 -4.80 119.74 114.09 1ac6 s LYS 111 Ca 0.22 -0.48 0.30 0.00 -1.00 0.00 0.00 55.97 55.01 1ac6 s LYS 111 Cb -0.12 -0.87 1.50 0.00 -2.06 0.00 0.00 37.83 36.28 1ac6 s LYS 111 CO 0.13 0.23 2.00 -0.35 0.10 0.00 0.00 175.35 177.46