#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v27 s SER 2 N 0.00 -0.16 -0.08 1.61 0.15 -1.26 -5.05 113.70 108.91 1v27 s SER 2 Ca 0.00 -0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.45 1v27 s SER 2 Cb 0.00 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1v27 s SER 2 CO 0.00 -0.54 0.01 -0.44 1.20 0.00 0.00 173.24 173.47 1v27 s SER 3 N -2.77 1.68 0.00 5.45 0.01 -1.26 -5.08 113.70 111.73 1v27 s SER 3 Ca 0.11 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1v27 s SER 3 Cb 0.01 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1v27 s SER 3 CO -0.03 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1v27 n GLY 4 N 5.15 2.89 2.60 3.44 0.00 -1.26 -5.06 105.19 112.96 1v27 n GLY 4 Ca -0.07 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1v27 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v27 n SER 5 N 0.00 -2.23 -3.15 1.61 2.88 -1.26 -5.07 113.62 106.40 1v27 n SER 5 Ca 0.00 -2.74 0.05 0.00 -1.33 0.00 0.00 58.87 54.85 1v27 n SER 5 Cb 0.00 0.85 -0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1v27 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v27 s SER 6 N 0.33 -0.96 0.47 -3.46 1.04 -1.26 -5.03 113.70 104.83 1v27 s SER 6 Ca 0.31 0.15 -0.22 0.00 0.48 0.00 0.00 55.95 56.68 1v27 s SER 6 Cb 0.04 1.62 -0.10 0.00 0.10 0.00 0.00 66.02 67.68 1v27 s SER 6 CO -0.12 -0.18 0.78 0.61 0.98 0.00 0.00 173.24 175.31 1v27 n GLY 7 N 5.27 -0.85 0.00 7.32 0.00 -1.25 -5.00 105.19 110.69 1v27 n GLY 7 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1v27 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v27 n GLY 8 N 1.49 0.75 3.08 -0.02 0.00 -1.26 -4.29 105.19 104.94 1v27 n GLY 8 Ca 0.11 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1v27 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v27 s GLN 9 N 1.99 0.23 -0.00 1.61 -0.21 -1.08 -0.99 119.66 121.21 1v27 s GLN 9 Ca 0.00 0.60 0.07 0.00 0.02 0.00 0.00 55.36 56.05 1v27 s GLN 9 Cb 0.00 -0.09 -0.03 0.00 1.00 0.00 0.00 33.01 33.89 1v27 s GLN 9 CO 0.00 -0.18 -0.22 -1.17 -2.12 0.00 0.00 175.29 171.60 1v27 s LEU 10 N 1.43 2.33 -0.36 2.90 0.20 -0.88 -1.17 118.68 123.14 1v27 s LEU 10 Ca -0.08 -0.42 -0.10 0.00 0.69 0.00 0.00 54.13 54.22 1v27 s LEU 10 Cb -0.10 -1.41 0.02 0.00 -0.43 0.00 0.00 46.19 44.27 1v27 s LEU 10 CO -0.09 0.30 0.18 -0.44 -0.29 0.00 0.00 176.35 176.01 1v27 s SER 11 N -0.90 5.61 -0.14 3.68 0.01 0.02 -0.34 113.70 121.65 1v27 s SER 11 Ca 0.11 -0.94 0.01 0.00 1.31 0.00 0.00 55.95 56.45 1v27 s SER 11 Cb -0.10 -1.99 0.02 0.00 0.21 0.00 0.00 66.02 64.16 1v27 s SER 11 CO 0.01 -0.34 -0.16 -0.63 0.41 0.00 0.00 173.24 172.53 1v27 s ILE 12 N 1.54 1.66 -0.32 1.44 1.01 -1.18 -1.29 121.20 124.05 1v27 s ILE 12 Ca 0.02 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 1v27 s ILE 12 Cb -0.19 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.75 1v27 s ILE 12 CO 0.06 0.47 0.17 -0.75 0.00 0.00 0.00 174.94 174.89 1v27 s LYS 13 N 1.25 3.28 0.17 2.79 2.20 0.80 -4.07 119.74 126.16 1v27 s LYS 13 Ca 0.00 -0.76 0.06 0.00 -0.36 0.00 0.00 55.97 54.91 1v27 s LYS 13 Cb -0.14 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1v27 s LYS 13 CO -0.07 -0.46 0.10 -0.51 -0.36 0.00 0.00 175.35 174.05 1v27 s LEU 14 N 1.61 3.66 -0.09 5.43 1.43 -1.26 0.55 118.68 130.02 1v27 s LEU 14 Ca 0.04 -0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 52.68 1v27 s LEU 14 Cb -0.17 -2.28 0.06 0.00 0.03 0.00 0.00 46.19 43.83 1v27 s LEU 14 CO 0.07 0.07 0.59 0.86 0.23 0.00 0.00 176.35 178.17 1v27 s TRP 15 N -1.77 -0.57 -0.13 0.29 -0.11 0.65 -1.79 118.94 115.51 1v27 s TRP 15 Ca 0.30 1.10 0.02 0.00 1.22 0.00 0.00 56.10 58.74 1v27 s TRP 15 Cb -0.10 0.30 -0.00 0.00 -1.50 0.00 0.00 33.47 32.17 1v27 s TRP 15 CO 0.22 -0.49 -0.18 0.12 -4.62 0.00 0.00 176.95 171.99 1v27 s PHE 16 N -0.82 2.71 -0.69 5.86 5.36 -1.26 0.21 117.98 129.34 1v27 s PHE 16 Ca -0.09 -0.96 -0.09 0.00 -0.96 0.00 0.00 56.93 54.83 1v27 s PHE 16 Cb -0.02 -1.81 0.18 0.00 -0.34 0.00 0.00 43.02 41.03 1v27 s PHE 16 CO 0.07 -0.40 0.57 0.34 -1.46 0.00 0.00 175.22 174.34 1v27 s ASP 17 N 0.54 5.98 0.61 6.13 -1.08 -0.43 -4.87 116.67 123.54 1v27 s ASP 17 Ca -0.11 -2.65 0.39 0.00 -0.52 0.00 0.00 52.55 49.66 1v27 s ASP 17 Cb -0.16 -2.04 1.93 0.00 -1.46 0.00 0.00 42.92 41.19 1v27 s ASP 17 CO 0.04 -0.51 2.20 0.07 0.52 0.00 0.00 175.17 177.49 1v27 h LYS 18 N 7.57 0.00 0.01 4.34 -0.00 -1.93 0.80 116.57 127.35 1v27 h LYS 18 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 1v27 h LYS 18 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.23 1v27 h LYS 18 CO 0.76 0.01 -0.06 0.28 -0.00 0.00 0.00 179.45 180.44 1v27 h VAL 19 N 0.00 0.00 -0.47 0.07 2.07 -1.95 -3.14 116.25 112.83 1v27 h VAL 19 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1v27 h VAL 19 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1v27 h VAL 19 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1v27 n GLY 20 N -1.05 2.20 3.30 2.17 0.00 -1.18 -4.97 105.19 105.66 1v27 n GLY 20 Ca -0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 1v27 n GLY 20 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v27 n HIS 21 N 1.16 -2.21 -4.08 1.61 -0.00 0.26 -4.74 115.22 107.22 1v27 n HIS 21 Ca 0.18 0.89 -0.32 0.00 -0.00 0.00 0.00 57.72 58.46 1v27 n HIS 21 Cb 0.53 -4.69 -0.16 0.00 -0.00 0.00 0.00 29.99 25.67 1v27 n HIS 21 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1v27 s GLN 22 N -5.00 2.65 -0.03 -0.41 -0.21 -0.02 0.15 119.66 116.79 1v27 s GLN 22 Ca 0.15 -0.78 -0.30 0.00 0.02 0.00 0.00 55.36 54.45 1v27 s GLN 22 Cb -0.02 -2.44 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 1v27 s GLN 22 CO 0.71 -0.26 1.14 -1.17 -2.12 0.00 0.00 175.29 173.59 1v27 s LEU 23 N 1.35 4.30 -0.18 2.90 1.98 0.14 -1.31 118.68 127.86 1v27 s LEU 23 Ca 0.04 1.79 -0.10 0.00 -2.89 0.00 0.00 54.13 52.96 1v27 s LEU 23 Cb -0.14 -3.56 -0.05 0.00 0.66 0.00 0.00 46.19 43.10 1v27 s LEU 23 CO -0.11 -0.50 0.16 -0.63 -1.89 0.00 0.00 176.35 173.39 1v27 s ILE 24 N 1.78 5.40 -0.11 6.68 1.09 0.56 0.42 121.20 137.01 1v27 s ILE 24 Ca 0.55 0.27 -0.01 0.00 -1.10 0.00 0.00 60.65 60.36 1v27 s ILE 24 Cb -0.24 -3.50 0.03 0.00 -1.06 0.00 0.00 42.46 37.69 1v27 s ILE 24 CO 0.24 0.45 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.77 1v27 s VAL 25 N 0.22 0.91 -0.11 2.92 1.01 0.54 -0.25 120.40 125.63 1v27 s VAL 25 Ca 0.10 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1v27 s VAL 25 Cb -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1v27 s VAL 25 CO -0.00 0.35 -0.22 -0.89 0.00 0.00 0.00 175.10 174.33 1v27 s THR 26 N 1.76 2.17 -0.85 3.92 2.01 0.19 0.82 115.64 125.65 1v27 s THR 26 Ca 0.05 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 60.96 1v27 s THR 26 Cb -0.12 -1.84 0.22 0.00 0.01 0.00 0.00 72.50 70.76 1v27 s THR 26 CO -0.08 0.55 0.79 -0.63 -0.69 0.00 0.00 174.62 174.56 1v27 s ILE 27 N 0.43 5.45 0.00 1.82 -1.09 -1.15 -0.14 121.20 126.52 1v27 s ILE 27 Ca -0.16 -2.70 0.00 0.00 -2.23 0.00 0.00 60.65 55.56 1v27 s ILE 27 Cb -0.17 -4.37 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1v27 s ILE 27 CO 0.07 -1.04 0.00 0.18 -1.23 0.00 0.00 174.94 172.92 1v27 n LEU 28 N 3.69 0.00 -3.88 2.97 4.77 -0.41 0.16 117.00 124.31 1v27 n LEU 28 Ca 0.15 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1v27 n LEU 28 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1v27 n LEU 28 CO 0.35 0.00 0.43 -0.83 -1.33 0.00 0.00 177.39 176.01 1v27 s GLY 29 N 0.00 0.10 0.19 -0.72 0.00 -1.20 0.79 107.32 106.49 1v27 s GLY 29 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1v27 s GLY 29 CO 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 173.10 172.91 1v27 s ALA 30 N -3.66 3.26 0.09 3.20 0.00 -0.53 -0.80 121.76 123.33 1v27 s ALA 30 Ca 0.14 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 1v27 s ALA 30 Cb -0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 1v27 s ALA 30 CO 0.08 0.44 0.12 -1.59 0.00 0.00 0.00 175.76 174.81 1v27 s LYS 31 N -3.10 0.83 -1.06 0.00 0.00 -0.31 -3.22 119.74 112.87 1v27 s LYS 31 Ca 0.29 -1.15 -0.08 0.00 0.00 0.00 0.00 55.97 55.03 1v27 s LYS 31 Cb -0.09 0.29 -0.06 0.00 0.00 0.00 0.00 37.83 37.97 1v27 s LYS 31 CO 0.20 -0.24 0.91 -0.25 0.00 0.00 0.00 175.35 175.96 1v27 n ASP 32 N -0.04 -6.45 -4.98 0.03 9.92 -1.26 -2.65 116.55 111.13 1v27 n ASP 32 Ca -0.12 -0.75 -0.20 0.00 -0.53 0.00 0.00 54.79 53.20 1v27 n ASP 32 Cb 0.62 -4.99 -0.01 0.00 -0.64 0.00 0.00 41.12 36.10 1v27 n ASP 32 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1v27 s LEU 33 N -5.53 4.06 -0.09 0.64 1.02 -1.26 -4.39 118.68 113.13 1v27 s LEU 33 Ca 0.46 -0.12 -0.30 0.00 0.02 0.00 0.00 54.13 54.19 1v27 s LEU 33 Cb -0.07 -2.75 -0.03 0.00 0.02 0.00 0.00 46.19 43.36 1v27 s LEU 33 CO 0.75 -0.31 1.24 -2.16 0.02 0.00 0.00 176.35 175.89 1v27 s PRO 34 N -4.10 4.30 0.00 1.29 0.04 -1.26 -5.00 135.00 130.27 1v27 s PRO 34 Ca 0.41 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1v27 s PRO 34 Cb -0.09 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1v27 s PRO 34 CO 0.30 -0.56 0.00 -1.13 0.04 0.00 0.00 177.00 175.65 1v27 n SER 35 N 5.76 0.96 -0.80 6.66 3.41 -1.26 -4.94 113.62 123.42 1v27 n SER 35 Ca 0.12 -0.61 0.06 0.00 -0.26 0.00 0.00 58.87 58.18 1v27 n SER 35 Cb 0.45 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1v27 n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1v27 n ARG 36 N 0.00 -0.88 0.00 4.33 1.74 -1.26 -4.82 116.66 115.78 1v27 n ARG 36 Ca 0.00 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 1v27 n ARG 36 Cb 0.00 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1v27 n ARG 36 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1v27 n GLU 37 N -2.08 0.00 0.00 5.56 2.13 -1.26 -4.11 120.64 120.88 1v27 n GLU 37 Ca 0.00 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.97 1v27 n GLU 37 Cb 0.20 0.00 0.67 0.00 0.27 0.00 0.00 31.44 32.57 1v27 n GLU 37 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1v27 n ASP 38 N 4.20 0.75 0.00 4.31 2.03 -1.26 -4.93 116.55 121.65 1v27 n ASP 38 Ca 0.00 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.24 1v27 n ASP 38 Cb 0.00 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1v27 n GLY 39 N 1.16 1.99 3.84 0.27 0.00 -1.26 -4.96 105.19 106.24 1v27 n GLY 39 Ca 0.19 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1v27 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v27 s ARG 40 N 0.00 3.57 0.00 1.61 3.00 -1.26 -4.60 118.95 121.27 1v27 s ARG 40 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 55.73 56.64 1v27 s ARG 40 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 34.95 32.87 1v27 s ARG 40 CO 0.00 -0.59 0.00 -0.35 0.00 0.00 0.00 175.30 174.36 1v27 n PRO 41 N -2.34 0.00 -3.75 3.54 -0.04 -1.26 -4.49 135.00 126.65 1v27 n PRO 41 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1v27 n PRO 41 Cb 0.54 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1v27 n PRO 41 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1v27 n ARG 42 N 0.00 -3.58 -3.85 0.54 1.85 -1.26 -4.93 116.66 105.43 1v27 n ARG 42 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 1v27 n ARG 42 Cb 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.29 1v27 n ARG 42 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1v27 s ASN 43 N -0.37 4.87 0.25 2.89 0.01 -1.26 -0.76 114.94 120.57 1v27 s ASN 43 Ca 0.00 -3.32 -0.30 0.00 -0.71 0.00 0.00 52.86 48.53 1v27 s ASN 43 Cb 0.00 -1.72 -0.09 0.00 0.41 0.00 0.00 41.25 39.85 1v27 s ASN 43 CO 0.00 -0.21 1.09 -2.16 -1.51 0.00 0.00 177.10 174.31 1v27 s PRO 44 N -0.72 4.64 -0.16 -0.60 0.04 -1.25 -1.17 135.00 135.78 1v27 s PRO 44 Ca 0.21 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 1v27 s PRO 44 Cb -0.16 -3.22 0.05 0.00 0.04 0.00 0.00 34.50 31.21 1v27 s PRO 44 CO -0.07 0.20 0.39 1.52 0.04 0.00 0.00 177.00 179.08 1v27 s TYR 45 N -0.91 -0.55 0.61 0.56 -0.85 -0.48 -3.20 117.35 112.54 1v27 s TYR 45 Ca 0.46 1.20 -0.08 0.00 -0.52 0.00 0.00 57.07 58.13 1v27 s TYR 45 Cb -0.31 0.23 -0.01 0.00 0.38 0.00 0.00 41.96 42.25 1v27 s TYR 45 CO 0.39 -0.31 0.96 0.08 -1.52 0.00 0.00 175.55 175.15 1v27 s VAL 46 N 1.17 3.99 -0.22 -3.49 1.01 -1.26 -2.25 120.40 119.35 1v27 s VAL 46 Ca -0.08 0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 1v27 s VAL 46 Cb -0.08 -3.60 0.11 0.00 0.00 0.00 0.00 36.38 32.82 1v27 s VAL 46 CO -0.10 -0.69 0.29 -0.75 0.00 0.00 0.00 175.10 173.85 1v27 s LYS 47 N -5.08 0.26 0.27 2.72 2.20 -0.15 -3.41 119.74 116.54 1v27 s LYS 47 Ca 0.54 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 56.39 1v27 s LYS 47 Cb -0.11 -0.88 -0.06 0.00 -1.51 0.00 0.00 37.83 35.27 1v27 s LYS 47 CO 0.48 -0.67 0.58 0.42 -0.36 0.00 0.00 175.35 175.81 1v27 s ILE 48 N 2.42 4.94 -0.30 5.43 1.01 0.11 -1.92 121.20 132.89 1v27 s ILE 48 Ca 0.09 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.13 1v27 s ILE 48 Cb -0.16 -3.67 0.16 0.00 0.01 0.00 0.00 42.46 38.81 1v27 s ILE 48 CO -0.15 -0.21 0.41 -0.31 0.00 0.00 0.00 174.94 174.69 1v27 s TYR 49 N -1.97 -0.93 -0.79 3.97 2.02 -1.09 -2.95 117.35 115.61 1v27 s TYR 49 Ca 0.47 0.16 -0.25 0.00 -0.37 0.00 0.00 57.07 57.07 1v27 s TYR 49 Cb -0.11 -0.18 -0.06 0.00 -0.40 0.00 0.00 41.96 41.21 1v27 s TYR 49 CO 0.25 -0.99 2.05 0.12 -1.57 0.00 0.00 175.55 175.41 1v27 s PHE 50 N 2.38 1.60 0.60 2.71 5.36 -1.20 -2.61 117.98 126.81 1v27 s PHE 50 Ca 0.11 0.98 -0.16 0.00 -0.96 0.00 0.00 56.93 56.90 1v27 s PHE 50 Cb -0.12 -3.91 -0.03 0.00 -0.34 0.00 0.00 43.02 38.62 1v27 s PHE 50 CO -0.26 -1.90 1.06 -0.51 -1.46 0.00 0.00 175.22 172.15 1v27 s LEU 51 N 10.89 3.48 0.12 6.12 1.02 0.27 -3.84 118.68 136.75 1v27 s LEU 51 Ca 0.76 1.83 -0.30 0.00 0.02 0.00 0.00 54.13 56.43 1v27 s LEU 51 Cb -0.10 -4.53 -0.07 0.00 0.02 0.00 0.00 46.19 41.51 1v27 s LEU 51 CO 0.07 -1.21 1.14 -2.16 0.02 0.00 0.00 176.35 174.22 1v27 s PRO 52 N -4.09 4.51 0.00 1.29 0.04 -1.26 -2.50 135.00 132.99 1v27 s PRO 52 Ca 0.64 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1v27 s PRO 52 Cb -0.16 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1v27 s PRO 52 CO 0.38 -0.09 0.00 -3.47 0.04 0.00 0.00 177.00 173.86 1v27 n ASP 53 N 3.11 0.00 0.00 6.66 -0.08 -1.25 -5.10 116.55 119.90 1v27 n ASP 53 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1v27 n ASP 53 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1v27 n ASP 53 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1v27 n ARG 54 N -0.26 0.00 0.00 -0.67 5.12 -1.26 -4.91 116.66 114.68 1v27 n ARG 54 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1v27 n ARG 54 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1v27 n ARG 54 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1v27 n SER 55 N 0.00 0.00 0.00 0.55 7.64 -1.26 -5.17 113.62 115.38 1v27 n SER 55 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1v27 n SER 55 Cb 0.00 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1v27 n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1v27 n ASP 56 N -2.03 0.00 0.00 6.43 9.92 -1.26 -4.98 116.55 124.63 1v27 n ASP 56 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1v27 n ASP 56 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1v27 n ASP 56 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1v27 n LYS 57 N -0.22 0.00 -0.54 -1.24 3.00 -1.26 -3.95 118.16 113.96 1v27 n LYS 57 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1v27 n LYS 57 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.28 1v27 n LYS 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1v27 n ASN 58 N 4.52 3.85 -4.48 3.14 3.02 -1.26 -4.81 115.26 119.25 1v27 n ASN 58 Ca 0.00 -2.54 -0.43 0.00 -0.03 0.00 0.00 54.58 51.58 1v27 n ASN 58 Cb 0.00 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.50 1v27 n ASN 58 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1v27 s LYS 59 N -2.05 3.14 -0.02 3.52 2.20 -1.25 -3.24 119.74 122.04 1v27 s LYS 59 Ca 0.34 -0.73 0.07 0.00 -0.36 0.00 0.00 55.97 55.29 1v27 s LYS 59 Cb 0.25 -4.01 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1v27 s LYS 59 CO 0.11 -1.01 -0.23 0.50 -0.36 0.00 0.00 175.35 174.36 1v27 s ARG 60 N 2.43 2.16 0.01 4.03 6.06 -1.15 -4.98 118.95 127.51 1v27 s ARG 60 Ca 0.15 -0.90 0.00 0.00 -2.50 0.00 0.00 55.73 52.48 1v27 s ARG 60 Cb -0.17 -2.11 -0.01 0.00 0.06 0.00 0.00 34.95 32.72 1v27 s ARG 60 CO 0.14 0.57 -0.01 0.50 -2.50 0.00 0.00 175.30 174.00 1v27 s ARG 61 N -0.73 0.11 0.65 5.12 3.52 -1.26 -0.71 118.95 125.65 1v27 s ARG 61 Ca 0.11 -0.18 -0.10 0.00 -0.13 0.00 0.00 55.73 55.43 1v27 s ARG 61 Cb -0.10 0.00 -0.01 0.00 -1.56 0.00 0.00 34.95 33.28 1v27 s ARG 61 CO -0.00 -0.01 1.03 0.95 -0.81 0.00 0.00 175.30 176.46 1v27 s THR 62 N -0.40 3.99 0.40 4.11 -4.23 -1.22 -5.00 115.64 113.30 1v27 s THR 62 Ca -0.04 0.53 -0.26 0.00 -1.18 0.00 0.00 61.69 60.74 1v27 s THR 62 Cb -0.03 -3.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 1v27 s THR 62 CO -0.00 -0.79 1.32 2.29 -0.54 0.00 0.00 174.62 176.90 1v27 n LYS 63 N -2.83 2.10 -2.61 3.99 2.85 -1.26 -4.72 118.16 115.68 1v27 n LYS 63 Ca 0.06 0.74 -0.43 0.00 -1.05 0.00 0.00 58.31 57.63 1v27 n LYS 63 Cb 0.56 -2.44 -0.02 0.00 -0.65 0.00 0.00 35.03 32.48 1v27 n LYS 63 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1v27 s THR 64 N -1.17 4.26 0.48 0.58 2.01 -1.26 -4.83 115.64 115.71 1v27 s THR 64 Ca 0.59 1.30 -0.21 0.00 0.31 0.00 0.00 61.69 63.68 1v27 s THR 64 Cb -0.51 -4.58 -0.08 0.00 0.01 0.00 0.00 72.50 67.35 1v27 s THR 64 CO 0.59 -0.93 1.06 -0.69 -0.69 0.00 0.00 174.62 173.97 1v27 s VAL 65 N 4.32 3.66 -0.23 3.82 1.01 -1.19 -5.02 120.40 126.78 1v27 s VAL 65 Ca 0.47 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.49 1v27 s VAL 65 Cb -0.08 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1v27 s VAL 65 CO 0.29 -0.19 -0.05 -0.54 0.00 0.00 0.00 175.10 174.62 1v27 s LYS 66 N -3.12 3.23 -0.11 2.72 -0.14 -1.26 -3.85 119.74 117.20 1v27 s LYS 66 Ca 0.67 -0.72 -0.05 0.00 -1.36 0.00 0.00 55.97 54.50 1v27 s LYS 66 Cb -0.19 -3.00 0.02 0.00 -1.68 0.00 0.00 37.83 32.98 1v27 s LYS 66 CO 0.22 -0.26 0.10 1.63 -0.76 0.00 0.00 175.35 176.29 1v27 n LYS 67 N 4.77 -2.77 -3.15 1.68 5.02 0.06 -4.98 118.16 118.78 1v27 n LYS 67 Ca -0.18 2.26 0.06 0.00 -2.02 0.00 0.00 58.31 58.43 1v27 n LYS 67 Cb 0.50 -3.07 -0.02 0.00 -0.02 0.00 0.00 35.03 32.42 1v27 n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1v27 s THR 68 N -0.57 -0.10 0.29 -0.18 -1.32 -1.14 -4.93 115.64 107.69 1v27 s THR 68 Ca -0.12 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.65 1v27 s THR 68 Cb 0.01 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.30 1v27 s THR 68 CO 0.41 0.00 2.00 -0.07 -2.21 0.00 0.00 174.62 174.75 1v27 h LEU 69 N 7.98 0.00 -7.07 9.08 4.07 -1.95 -3.35 115.31 124.06 1v27 h LEU 69 Ca -0.10 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.24 1v27 h LEU 69 Cb 1.18 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.51 1v27 h LEU 69 CO -0.21 0.13 -0.72 -1.61 -1.08 0.00 0.00 178.44 174.95 1v27 s GLU 70 N -3.93 1.37 0.38 1.13 2.02 -1.26 -4.01 118.70 114.40 1v27 s GLU 70 Ca -0.01 -2.05 -0.25 0.00 0.02 0.00 0.00 54.97 52.68 1v27 s GLU 70 Cb 0.11 -2.49 -0.09 0.00 0.10 0.00 0.00 34.13 31.77 1v27 s GLU 70 CO 0.58 -1.14 1.06 -1.25 0.02 0.00 0.00 175.26 174.53 1v27 s PRO 71 N 0.34 4.22 -0.35 0.39 0.04 -1.20 -4.85 135.00 133.59 1v27 s PRO 71 Ca 0.17 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1v27 s PRO 71 Cb -0.24 -2.62 0.11 0.00 0.04 0.00 0.00 34.50 31.79 1v27 s PRO 71 CO -0.01 -0.10 0.15 0.15 0.04 0.00 0.00 177.00 177.22 1v27 s LYS 72 N -2.36 0.89 -0.20 4.56 1.02 -1.26 -1.45 119.74 120.94 1v27 s LYS 72 Ca 0.56 -1.39 -0.18 0.00 0.02 0.00 0.00 55.97 54.99 1v27 s LYS 72 Cb -0.23 -2.08 -0.20 0.00 -0.52 0.00 0.00 37.83 34.80 1v27 s LYS 72 CO 0.29 -1.05 0.17 0.91 -0.92 0.00 0.00 175.35 174.76 1v27 n TRP 73 N 4.39 0.94 -4.33 3.18 8.01 0.19 -4.96 117.44 124.86 1v27 n TRP 73 Ca 0.02 0.35 -0.32 0.00 -1.31 0.00 0.00 57.50 56.24 1v27 n TRP 73 Cb 0.39 -1.10 -0.09 0.00 -2.01 0.00 0.00 31.31 28.50 1v27 n TRP 73 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1v27 n ASN 74 N -4.21 0.51 -4.70 -0.99 4.13 0.43 -4.91 115.26 105.53 1v27 n ASN 74 Ca -0.35 -1.26 -0.23 0.00 1.68 0.00 0.00 54.58 54.42 1v27 n ASN 74 Cb 0.78 -1.66 0.11 0.00 -1.54 0.00 0.00 39.78 37.47 1v27 n ASN 74 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1v27 s GLN 75 N -7.33 1.65 0.06 3.52 -1.52 -1.17 -4.86 119.66 110.00 1v27 s GLN 75 Ca 0.11 -1.30 0.07 0.00 -1.95 0.00 0.00 55.36 52.30 1v27 s GLN 75 Cb -0.07 -2.37 -0.03 0.00 -0.22 0.00 0.00 33.01 30.32 1v27 s GLN 75 CO 1.00 -1.46 -0.20 0.99 -0.25 0.00 0.00 175.29 175.37 1v27 s THR 76 N -3.11 1.59 -0.21 -0.19 2.01 -1.26 -2.95 115.64 111.52 1v27 s THR 76 Ca 0.67 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.37 1v27 s THR 76 Cb -0.04 -1.40 0.11 0.00 0.01 0.00 0.00 72.50 71.17 1v27 s THR 76 CO 0.44 0.10 0.33 -0.36 -0.69 0.00 0.00 174.62 174.45 1v27 s PHE 77 N -0.91 -0.64 -0.09 4.92 0.08 0.24 -4.95 117.98 116.63 1v27 s PHE 77 Ca 0.06 0.85 -0.04 0.00 0.12 0.00 0.00 56.93 57.92 1v27 s PHE 77 Cb -0.09 -0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.30 1v27 s PHE 77 CO 0.02 -0.59 0.08 0.42 -0.10 0.00 0.00 175.22 175.05 1v27 s ILE 78 N 2.49 4.97 -0.10 0.64 1.01 -1.26 0.20 121.20 129.17 1v27 s ILE 78 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 1v27 s ILE 78 Cb -0.14 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.21 1v27 s ILE 78 CO -0.13 0.58 0.02 -0.31 0.00 0.00 0.00 174.94 175.10 1v27 s TYR 79 N -0.99 0.63 0.08 3.97 2.02 0.17 -4.92 117.35 118.30 1v27 s TYR 79 Ca 0.15 -0.25 -0.09 0.00 -0.37 0.00 0.00 57.07 56.52 1v27 s TYR 79 Cb -0.12 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 1v27 s TYR 79 CO 0.05 -0.37 0.20 -1.54 -1.57 0.00 0.00 175.55 172.31 1v27 s SER 80 N 1.99 0.09 0.32 2.29 1.04 -1.26 0.28 113.70 118.45 1v27 s SER 80 Ca 0.04 -0.58 -0.28 0.00 0.48 0.00 0.00 55.95 55.61 1v27 s SER 80 Cb -0.13 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 1v27 s SER 80 CO -0.06 -0.70 1.07 -2.16 0.98 0.00 0.00 173.24 172.38 1v27 s PRO 81 N -3.58 4.49 -0.15 4.02 0.04 -1.26 -5.07 135.00 133.48 1v27 s PRO 81 Ca 0.03 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 1v27 s PRO 81 Cb 0.04 -2.97 0.05 0.00 0.04 0.00 0.00 34.50 31.65 1v27 s PRO 81 CO -0.10 0.11 0.02 0.08 0.04 0.00 0.00 177.00 177.15 1v27 s VAL 82 N -1.33 0.52 0.36 -0.36 1.01 0.39 -5.00 120.40 115.99 1v27 s VAL 82 Ca 0.49 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.21 1v27 s VAL 82 Cb -0.28 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1v27 s VAL 82 CO 0.36 -0.02 0.37 -1.00 0.00 0.00 0.00 175.10 174.81 1v27 s HIS 83 N 1.88 2.88 -0.01 5.22 3.76 -1.26 -4.18 115.29 123.58 1v27 s HIS 83 Ca 0.01 -0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 54.33 1v27 s HIS 83 Cb -0.15 -1.98 -0.19 0.00 1.11 0.00 0.00 32.58 31.37 1v27 s HIS 83 CO -0.07 0.02 1.30 -0.09 -0.85 0.00 0.00 174.74 175.05 1v27 h ARG 84 N 1.07 -0.04 0.00 1.40 9.65 -1.99 -2.58 114.38 121.90 1v27 h ARG 84 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 1v27 h ARG 84 Cb 1.26 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1v27 h ARG 84 CO 0.56 0.39 0.00 2.89 2.80 0.00 0.00 179.97 186.60 1v27 n ARG 85 N -4.90 0.07 0.13 0.20 1.85 -1.26 -0.51 116.66 112.24 1v27 n ARG 85 Ca -0.08 0.49 0.07 0.00 -1.00 0.00 0.00 57.85 57.32 1v27 n ARG 85 Cb 0.23 -1.70 0.03 0.00 -1.05 0.00 0.00 32.46 29.97 1v27 n ARG 85 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1v27 h GLU 86 N 0.00 0.00 0.03 2.89 4.39 -1.87 -3.36 114.58 116.66 1v27 h GLU 86 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1v27 h GLU 86 Cb 0.10 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1v27 h GLU 86 CO 0.00 0.20 -0.35 0.74 -1.16 0.00 0.00 179.01 178.44 1v27 h PHE 87 N 0.00 -0.96 0.00 4.33 -1.00 -0.61 1.49 116.94 120.20 1v27 h PHE 87 Ca -0.04 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1v27 h PHE 87 Cb 1.23 0.42 0.00 0.00 3.61 0.00 0.00 35.95 41.21 1v27 h PHE 87 CO 0.00 -0.44 0.05 0.07 -1.61 0.00 0.00 178.31 176.38 1v27 h ARG 88 N -0.52 0.00 0.00 1.51 0.11 -1.71 0.45 114.38 114.22 1v27 h ARG 88 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1v27 h ARG 88 Cb 0.59 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1v27 h ARG 88 CO -0.26 0.00 -1.44 0.39 0.10 0.00 0.00 179.97 178.76 1v27 n GLU 89 N -2.38 0.69 -3.69 0.08 1.02 0.98 -4.88 120.64 112.46 1v27 n GLU 89 Ca -0.02 -0.10 -0.21 0.00 -0.02 0.00 0.00 57.16 56.81 1v27 n GLU 89 Cb 0.09 -1.43 -0.18 0.00 -0.02 0.00 0.00 31.44 29.91 1v27 n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1v27 s ARG 90 N -3.09 0.12 0.25 3.49 3.00 0.47 -4.43 118.95 118.76 1v27 s ARG 90 Ca -0.01 0.27 0.11 0.00 0.00 0.00 0.00 55.73 56.10 1v27 s ARG 90 Cb 0.13 -0.74 -0.05 0.00 0.00 0.00 0.00 34.95 34.29 1v27 s ARG 90 CO 0.79 -0.35 -0.14 1.41 0.00 0.00 0.00 175.30 177.01 1v27 s MET 91 N 2.11 1.87 0.09 3.54 -2.45 -1.04 -4.17 119.30 119.25 1v27 s MET 91 Ca 0.05 -1.56 -0.05 0.00 -1.25 0.00 0.00 55.69 52.89 1v27 s MET 91 Cb -0.12 -1.95 -0.05 0.00 1.25 0.00 0.00 34.83 33.96 1v27 s MET 91 CO -0.04 0.37 0.32 -0.51 1.05 0.00 0.00 175.02 176.21 1v27 s LEU 92 N -3.30 4.31 -0.37 4.11 1.43 -0.57 -0.56 118.68 123.73 1v27 s LEU 92 Ca 0.28 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1v27 s LEU 92 Cb -0.06 -3.09 0.13 0.00 0.03 0.00 0.00 46.19 43.20 1v27 s LEU 92 CO 0.15 0.12 0.20 -0.70 0.23 0.00 0.00 176.35 176.36 1v27 s GLU 93 N -2.39 0.78 -0.12 1.70 2.12 -1.07 -2.57 118.70 117.14 1v27 s GLU 93 Ca 0.37 -1.47 -0.16 0.00 0.36 0.00 0.00 54.97 54.07 1v27 s GLU 93 Cb -0.13 -1.71 -0.05 0.00 0.26 0.00 0.00 34.13 32.51 1v27 s GLU 93 CO 0.23 -1.16 0.38 0.42 -0.54 0.00 0.00 175.26 174.60 1v27 s ILE 94 N 0.97 5.23 0.02 -3.70 1.09 -0.45 -2.65 121.20 121.71 1v27 s ILE 94 Ca 0.16 0.75 0.02 0.00 -1.10 0.00 0.00 60.65 60.48 1v27 s ILE 94 Cb -0.22 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1v27 s ILE 94 CO -0.05 0.39 -0.07 0.42 -0.10 0.00 0.00 174.94 175.53 1v27 s THR 95 N 0.34 0.54 -0.05 2.92 -4.23 -0.81 0.18 115.64 114.54 1v27 s THR 95 Ca 0.21 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1v27 s THR 95 Cb -0.14 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 1v27 s THR 95 CO 0.08 -0.10 0.04 -0.22 -0.54 0.00 0.00 174.62 173.87 1v27 s LEU 96 N -0.83 3.73 -0.08 4.79 1.98 0.31 -0.98 118.68 127.60 1v27 s LEU 96 Ca -0.03 0.14 -0.13 0.00 -2.89 0.00 0.00 54.13 51.22 1v27 s LEU 96 Cb -0.06 -2.01 0.03 0.00 0.66 0.00 0.00 46.19 44.81 1v27 s LEU 96 CO 0.00 0.33 0.33 0.26 -1.89 0.00 0.00 176.35 175.39 1v27 s TRP 97 N -1.03 -0.30 -0.38 5.38 0.52 -0.95 -1.16 118.94 121.02 1v27 s TRP 97 Ca 0.17 0.65 -0.10 0.00 0.02 0.00 0.00 56.10 56.85 1v27 s TRP 97 Cb -0.12 0.12 0.04 0.00 -1.15 0.00 0.00 33.47 32.36 1v27 s TRP 97 CO 0.07 -0.27 0.20 0.34 0.02 0.00 0.00 176.95 177.31 1v27 s ASP 98 N -0.46 5.64 -0.36 2.95 2.15 -1.26 -1.38 116.67 123.95 1v27 s ASP 98 Ca -0.06 -1.12 -0.43 0.00 0.43 0.00 0.00 52.55 51.37 1v27 s ASP 98 Cb -0.04 -1.99 -0.18 0.00 -0.30 0.00 0.00 42.92 40.42 1v27 s ASP 98 CO 0.02 -0.40 1.65 1.67 -0.17 0.00 0.00 175.17 177.94 1v27 n GLN 99 N 4.95 0.61 0.03 4.34 7.27 -0.32 -4.15 117.38 130.10 1v27 n GLN 99 Ca -0.12 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1v27 n GLN 99 Cb 0.45 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.28 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v27 n ALA 100 N 4.57 3.00 -1.22 1.69 0.00 -1.23 -4.42 120.51 122.91 1v27 n ALA 100 Ca 0.28 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.89 1v27 n ALA 100 Cb 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1v27 n ALA 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1v27 n ARG 101 N -2.78 -2.49 -0.29 0.00 3.00 -1.24 -4.96 116.66 107.90 1v27 n ARG 101 Ca 0.00 1.66 0.04 0.00 -0.01 0.00 0.00 57.85 59.54 1v27 n ARG 101 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 32.46 29.43 1v27 n ARG 101 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1v27 n VAL 102 N -3.78 0.00 0.00 1.55 0.24 -1.26 -4.47 118.33 110.61 1v27 n VAL 102 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1v27 n VAL 102 Cb 0.56 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1v27 n VAL 102 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1v27 n ARG 103 N -1.39 0.00 -3.57 7.34 1.74 -1.26 -4.56 116.66 114.96 1v27 n ARG 103 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1v27 n ARG 103 Cb 0.13 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.56 1v27 n ARG 103 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1v27 s GLU 104 N 0.00 0.94 -0.64 5.56 2.12 -1.26 -5.02 118.70 120.39 1v27 s GLU 104 Ca 0.00 -0.40 -0.09 0.00 0.36 0.00 0.00 54.97 54.84 1v27 s GLU 104 Cb 0.00 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.80 1v27 s GLU 104 CO 0.00 -0.42 0.54 -1.91 -0.54 0.00 0.00 175.26 172.93 1v27 n GLU 105 N -0.31 -1.43 -0.01 4.30 2.13 -1.26 -4.81 120.64 119.25 1v27 n GLU 105 Ca -0.08 0.79 -0.01 0.00 0.66 0.00 0.00 57.16 58.52 1v27 n GLU 105 Cb 0.62 -1.88 -0.01 0.00 0.27 0.00 0.00 31.44 30.44 1v27 n GLU 105 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1v27 h GLU 106 N 0.35 -0.04 -6.50 5.31 3.07 -1.85 -3.34 114.58 111.58 1v27 h GLU 106 Ca -0.55 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 57.76 1v27 h GLU 106 Cb 1.23 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 29.09 1v27 h GLU 106 CO 0.29 -0.03 1.06 -1.12 -1.40 0.00 0.00 179.01 177.82 1v27 s SER 107 N -2.85 6.27 0.37 1.42 0.01 -1.26 -3.47 113.70 114.20 1v27 s SER 107 Ca -0.01 0.43 0.27 0.00 1.31 0.00 0.00 55.95 57.94 1v27 s SER 107 Cb 0.01 -2.55 0.83 0.00 0.21 0.00 0.00 66.02 64.52 1v27 s SER 107 CO 0.05 -1.56 1.76 1.05 0.41 0.00 0.00 173.24 174.95 1v27 h GLU 108 N 10.60 0.00 -4.45 12.44 -0.00 -1.72 -3.48 114.58 127.97 1v27 h GLU 108 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1v27 h GLU 108 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 1v27 h GLU 108 CO 1.15 0.00 -0.81 0.34 -0.00 0.00 0.00 179.01 179.69 1v27 n PHE 109 N -2.72 -4.09 0.40 2.06 7.35 -1.26 -4.87 117.46 114.33 1v27 n PHE 109 Ca 0.03 2.44 0.12 0.00 -0.76 0.00 0.00 57.45 59.29 1v27 n PHE 109 Cb 0.39 -3.27 0.13 0.00 0.35 0.00 0.00 39.48 37.09 1v27 n PHE 109 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1v27 h LEU 110 N 4.26 0.00 0.00 -2.13 3.38 -1.49 -3.48 115.31 115.85 1v27 h LEU 110 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1v27 h LEU 110 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1v27 h LEU 110 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1v27 n GLY 111 N 1.27 2.70 3.18 0.83 0.00 -1.24 -4.53 105.19 107.39 1v27 n GLY 111 Ca 0.02 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 1v27 n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1v27 s GLU 112 N -2.04 1.90 -0.32 1.61 -1.05 -1.20 -0.53 118.70 117.08 1v27 s GLU 112 Ca 0.00 -0.69 0.02 0.00 -0.15 0.00 0.00 54.97 54.15 1v27 s GLU 112 Cb 0.00 -1.67 0.08 0.00 -0.44 0.00 0.00 34.13 32.10 1v27 s GLU 112 CO 0.00 0.31 0.01 0.42 0.95 0.00 0.00 175.26 176.95 1v27 s ILE 113 N -0.10 2.51 -0.07 1.83 1.01 0.49 -3.50 121.20 123.36 1v27 s ILE 113 Ca -0.02 -1.92 -0.15 0.00 0.00 0.00 0.00 60.65 58.56 1v27 s ILE 113 Cb -0.11 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1v27 s ILE 113 CO 0.02 -0.35 0.40 -0.76 0.00 0.00 0.00 174.94 174.25 1v27 s LEU 114 N 1.06 4.36 -0.08 2.97 2.01 -1.26 -1.34 118.68 126.40 1v27 s LEU 114 Ca 0.02 0.81 -0.02 0.00 0.01 0.00 0.00 54.13 54.95 1v27 s LEU 114 Cb -0.20 -2.57 0.03 0.00 0.01 0.00 0.00 46.19 43.47 1v27 s LEU 114 CO -0.05 0.17 0.02 -0.63 1.01 0.00 0.00 176.35 176.87 1v27 s ILE 115 N -0.19 0.23 -0.35 -0.59 1.01 -1.06 -5.01 121.20 115.24 1v27 s ILE 115 Ca 0.23 0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.80 1v27 s ILE 115 Cb -0.15 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 41.86 1v27 s ILE 115 CO 0.10 0.18 0.76 -1.61 0.00 0.00 0.00 174.94 174.38 1v27 s GLU 116 N 2.03 3.81 0.54 2.79 2.02 -1.26 -1.51 118.70 127.11 1v27 s GLU 116 Ca 0.04 0.36 0.35 0.00 0.02 0.00 0.00 54.97 55.74 1v27 s GLU 116 Cb -0.13 -3.78 1.52 0.00 0.10 0.00 0.00 34.13 31.84 1v27 s GLU 116 CO -0.05 -0.78 1.83 -0.07 0.02 0.00 0.00 175.26 176.20 1v27 h LEU 117 N 9.61 0.00 -0.20 1.80 3.38 -1.78 0.76 115.31 128.88 1v27 h LEU 117 Ca -0.25 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1v27 h LEU 117 Cb 1.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1v27 h LEU 117 CO 0.89 0.00 -0.27 -0.08 0.09 0.00 0.00 178.44 179.07 1v27 h GLU 118 N 0.00 -0.29 -0.16 1.13 4.81 -1.84 -2.77 114.58 115.46 1v27 h GLU 118 Ca 0.51 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.66 1v27 h GLU 118 Cb 2.08 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 31.46 1v27 h GLU 118 CO -0.01 -0.19 -0.41 0.25 -0.73 0.00 0.00 179.01 177.92 1v27 n THR 119 N -5.39 2.34 -2.36 0.32 -2.24 0.37 -4.97 114.28 102.35 1v27 n THR 119 Ca -0.02 -3.21 -0.40 0.00 -2.27 0.00 0.00 64.05 58.15 1v27 n THR 119 Cb 0.30 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1v27 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1v27 s ALA 120 N -3.28 3.38 -1.03 6.98 0.00 0.24 -4.87 121.76 123.18 1v27 s ALA 120 Ca 0.41 0.99 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 1v27 s ALA 120 Cb 0.38 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 20.18 1v27 s ALA 120 CO -0.04 -0.34 1.49 -0.51 0.00 0.00 0.00 175.76 176.36 1v27 s LEU 121 N -1.75 3.50 -0.38 0.00 1.43 -1.26 -4.94 118.68 115.28 1v27 s LEU 121 Ca 0.48 -1.46 -0.13 0.00 -1.03 0.00 0.00 54.13 51.99 1v27 s LEU 121 Cb -0.33 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1v27 s LEU 121 CO 0.43 -1.56 0.24 -0.76 0.23 0.00 0.00 176.35 174.93 1v27 s LEU 122 N 5.22 4.80 -0.03 1.79 1.43 -1.26 -4.24 118.68 126.38 1v27 s LEU 122 Ca 0.48 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 1v27 s LEU 122 Cb -0.00 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.16 1v27 s LEU 122 CO -0.09 -0.37 0.48 -0.67 0.23 0.00 0.00 176.35 175.93 1v27 n ASP 123 N 5.08 -0.19 -3.10 2.29 -0.08 -0.99 -4.83 116.55 114.73 1v27 n ASP 123 Ca -0.12 -0.87 -0.14 0.00 -1.51 0.00 0.00 54.79 52.16 1v27 n ASP 123 Cb 0.47 0.08 -0.03 0.00 2.34 0.00 0.00 41.12 43.99 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1v27 n ASP 124 N -0.15 -1.23 -4.48 1.67 2.03 -0.74 -4.86 116.55 108.80 1v27 n ASP 124 Ca -0.03 -0.08 -0.34 0.00 0.52 0.00 0.00 54.79 54.86 1v27 n ASP 124 Cb 0.47 -1.16 -0.12 0.00 -0.72 0.00 0.00 41.12 39.59 1v27 n ASP 124 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1v27 s GLU 125 N -5.55 3.65 -0.08 -0.67 2.02 -1.26 -4.98 118.70 111.83 1v27 s GLU 125 Ca 0.27 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 1v27 s GLU 125 Cb -0.16 -2.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 1v27 s GLU 125 CO 0.33 0.15 1.23 -1.25 0.02 0.00 0.00 175.26 175.74 1v27 s PRO 126 N 0.62 4.32 0.07 0.39 0.04 -1.26 -4.53 135.00 134.65 1v27 s PRO 126 Ca -0.02 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.79 1v27 s PRO 126 Cb -0.14 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1v27 s PRO 126 CO 0.02 -0.52 -0.20 -1.01 0.04 0.00 0.00 177.00 175.34 1v27 s HIS 127 N 2.53 1.71 -0.45 0.56 3.76 -1.26 -5.02 115.29 117.12 1v27 s HIS 127 Ca 0.56 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.91 1v27 s HIS 127 Cb -0.25 -0.98 0.04 0.00 1.11 0.00 0.00 32.58 32.50 1v27 s HIS 127 CO 0.21 0.13 0.44 -1.58 -0.85 0.00 0.00 174.74 173.08 1v27 s TRP 128 N -0.96 3.18 -0.47 1.40 0.52 -1.26 -3.11 118.94 118.24 1v27 s TRP 128 Ca 0.06 -0.60 -0.14 0.00 0.02 0.00 0.00 56.10 55.43 1v27 s TRP 128 Cb -0.09 -3.05 0.08 0.00 -1.15 0.00 0.00 33.47 29.26 1v27 s TRP 128 CO 0.03 -0.78 0.38 0.71 0.02 0.00 0.00 176.95 177.31 1v27 s TYR 129 N 2.01 3.26 0.65 -1.98 2.02 0.54 -4.86 117.35 118.99 1v27 s TYR 129 Ca 0.09 -1.06 -0.17 0.00 -0.37 0.00 0.00 57.07 55.56 1v27 s TYR 129 Cb -0.20 -3.19 -0.06 0.00 -0.40 0.00 0.00 41.96 38.11 1v27 s TYR 129 CO 0.11 -0.83 0.57 1.63 -1.57 0.00 0.00 175.55 175.46 1v27 n LYS 130 N 5.16 0.44 -3.21 -0.62 4.01 -1.26 -2.06 118.16 120.61 1v27 n LYS 130 Ca -0.12 0.18 -0.27 0.00 -0.51 0.00 0.00 58.31 57.60 1v27 n LYS 130 Cb 0.43 -1.81 -0.02 0.00 -0.51 0.00 0.00 35.03 33.12 1v27 n LYS 130 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1v27 s LEU 131 N -0.00 3.96 -0.19 -0.35 2.01 -0.16 -4.84 118.68 119.11 1v27 s LEU 131 Ca 0.68 0.67 -0.00 0.00 0.01 0.00 0.00 54.13 55.49 1v27 s LEU 131 Cb -0.39 -3.53 0.05 0.00 0.01 0.00 0.00 46.19 42.33 1v27 s LEU 131 CO 0.55 -0.31 -0.05 0.00 1.01 0.00 0.00 176.35 177.56 1v27 s GLN 132 N -4.05 1.49 -0.05 1.70 -2.07 -1.23 -3.79 119.66 111.66 1v27 s GLN 132 Ca 0.43 -0.67 -0.04 0.00 -1.82 0.00 0.00 55.36 53.27 1v27 s GLN 132 Cb -0.10 -2.21 -0.04 0.00 -1.09 0.00 0.00 33.01 29.56 1v27 s GLN 132 CO 0.35 -0.49 0.14 0.95 -1.32 0.00 0.00 175.29 174.91 1v27 s THR 133 N 1.56 5.25 -0.11 3.63 -4.23 -1.26 -3.26 115.64 117.22 1v27 s THR 133 Ca -0.01 -0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 1v27 s THR 133 Cb -0.16 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.33 1v27 s THR 133 CO -0.07 0.46 0.13 1.41 -0.54 0.00 0.00 174.62 176.00 1v27 n HIS 134 N 1.45 -2.47 -3.38 3.99 8.25 -1.26 -4.97 115.22 116.83 1v27 n HIS 134 Ca -0.15 1.41 0.03 0.00 -0.26 0.00 0.00 57.72 58.75 1v27 n HIS 134 Cb 0.54 -2.63 -0.05 0.00 1.12 0.00 0.00 29.99 28.97 1v27 n HIS 134 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1v27 s ASP 135 N -0.47 -0.16 0.19 0.41 2.15 -1.26 -5.18 116.67 112.35 1v27 s ASP 135 Ca -0.15 0.23 -0.00 0.00 0.43 0.00 0.00 52.55 53.06 1v27 s ASP 135 Cb 0.01 1.14 -0.04 0.00 -0.30 0.00 0.00 42.92 43.73 1v27 s ASP 135 CO 0.44 -0.03 0.09 -0.44 -0.17 0.00 0.00 175.17 175.06 1v27 s SER 136 N 1.75 0.48 0.27 -0.34 0.01 -1.26 -5.16 113.70 109.45 1v27 s SER 136 Ca -0.03 -1.32 -0.21 0.00 1.31 0.00 0.00 55.95 55.70 1v27 s SER 136 Cb -0.02 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.52 1v27 s SER 136 CO -0.14 -0.77 0.70 -0.83 0.41 0.00 0.00 173.24 172.61 1v27 s GLY 137 N -3.16 -0.08 -0.16 3.44 0.00 -1.26 -5.13 107.32 100.97 1v27 s GLY 137 Ca 0.33 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 1v27 s GLY 137 CO 0.09 -0.11 1.27 2.56 0.00 0.00 0.00 173.10 176.91 1v27 s PRO 138 N -3.92 4.24 -0.36 2.90 0.04 -1.26 -4.98 135.00 131.66 1v27 s PRO 138 Ca 0.11 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.83 1v27 s PRO 138 Cb -0.05 -3.76 0.12 0.00 0.04 0.00 0.00 34.50 30.84 1v27 s PRO 138 CO 0.06 -0.70 0.17 0.45 0.04 0.00 0.00 177.00 177.01 1v27 s SER 139 N 2.00 3.66 1.03 6.66 0.15 -1.26 -5.13 113.70 120.82 1v27 s SER 139 Ca 0.55 -2.02 -0.12 0.00 0.70 0.00 0.00 55.95 55.06 1v27 s SER 139 Cb -0.22 -0.78 0.21 0.00 -1.71 0.00 0.00 66.02 63.51 1v27 s SER 139 CO 0.15 -0.35 1.08 -0.94 1.20 0.00 0.00 173.24 174.38 1v27 s SER 140 N 1.16 2.27 0.00 5.45 1.04 -1.26 -5.34 113.70 117.02 1v27 s SER 140 Ca 0.14 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.91 1v27 s SER 140 Cb -0.21 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.88 1v27 s SER 140 CO -0.13 -3.37 0.00 0.61 0.98 0.00 0.00 173.24 171.33