#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 -1.02 -0.05 1.61 1.04 -1.26 -5.09 113.70 108.93 1v27 s SER 2 Ca 0.00 1.11 -0.04 0.00 0.48 0.00 0.00 55.95 57.49 1v27 s SER 2 Cb 0.00 2.04 0.02 0.00 0.10 0.00 0.00 66.02 68.18 1v27 s SER 2 CO 0.00 -0.19 0.14 -0.55 0.98 0.00 0.00 173.24 173.61 1v27 s SER 3 N 2.79 -0.14 0.20 7.02 0.15 -1.26 -4.78 113.70 117.69 1v27 s SER 3 Ca 0.02 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1v27 s SER 3 Cb -0.11 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1v27 s SER 3 CO -0.18 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1v27 n GLY 4 N 3.18 -3.01 2.79 9.45 0.00 -0.24 -4.86 105.19 112.50 1v27 n GLY 4 Ca -0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 1v27 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v27 s SER 5 N -2.08 -1.10 -0.24 1.61 1.04 -1.26 -5.01 113.70 106.67 1v27 s SER 5 Ca 0.00 -1.19 -0.17 0.00 0.48 0.00 0.00 55.95 55.07 1v27 s SER 5 Cb 0.00 1.44 0.02 0.00 0.10 0.00 0.00 66.02 67.59 1v27 s SER 5 CO 0.00 -0.05 0.31 -0.24 0.98 0.00 0.00 173.24 174.23 1v27 n SER 6 N 3.06 -6.38 -3.39 7.02 2.88 -1.26 -4.76 113.62 110.78 1v27 n SER 6 Ca 0.15 0.29 -0.31 0.00 -1.33 0.00 0.00 58.87 57.67 1v27 n SER 6 Cb 0.59 -2.23 0.28 0.00 -0.75 0.00 0.00 64.21 62.10 1v27 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v27 s GLY 7 N -1.36 1.47 0.00 0.46 0.00 -1.26 -4.68 107.32 101.95 1v27 s GLY 7 Ca 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1v27 s GLY 7 CO 0.47 0.03 0.00 0.61 0.00 0.00 0.00 173.10 174.22 1v27 n GLY 8 N 0.56 1.59 3.10 0.20 0.00 -1.22 -4.83 105.19 104.58 1v27 n GLY 8 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 3.52 1.21 -0.04 1.61 -0.21 -1.01 -2.25 119.66 122.49 1v27 s GLN 9 Ca 0.00 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 54.94 1v27 s GLN 9 Cb 0.00 -1.14 -0.02 0.00 1.00 0.00 0.00 33.01 32.84 1v27 s GLN 9 CO 0.00 0.27 -0.20 -1.17 -2.12 0.00 0.00 175.29 172.07 1v27 s LEU 10 N -0.20 2.39 -0.36 2.90 0.20 -1.02 -1.42 118.68 121.16 1v27 s LEU 10 Ca 0.03 -0.35 -0.13 0.00 0.69 0.00 0.00 54.13 54.37 1v27 s LEU 10 Cb -0.07 -1.45 0.00 0.00 -0.43 0.00 0.00 46.19 44.24 1v27 s LEU 10 CO 0.00 0.31 0.24 -0.44 -0.29 0.00 0.00 176.35 176.17 1v27 s SER 11 N -0.54 5.95 -0.11 3.68 0.01 -0.29 -0.49 113.70 121.91 1v27 s SER 11 Ca 0.07 -0.66 0.01 0.00 1.31 0.00 0.00 55.95 56.69 1v27 s SER 11 Cb -0.11 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.03 1v27 s SER 11 CO 0.01 -0.31 -0.14 -0.63 0.41 0.00 0.00 173.24 172.58 1v27 s ILE 12 N 1.67 1.40 -0.30 1.44 1.01 -1.06 -1.46 121.20 123.90 1v27 s ILE 12 Ca 0.05 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1v27 s ILE 12 Cb -0.18 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1v27 s ILE 12 CO 0.09 0.42 0.14 -0.75 0.00 0.00 0.00 174.94 174.85 1v27 s LYS 13 N 1.11 3.41 0.15 2.79 2.20 0.18 -3.69 119.74 125.89 1v27 s LYS 13 Ca -0.04 -0.67 0.06 0.00 -0.36 0.00 0.00 55.97 54.96 1v27 s LYS 13 Cb -0.14 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1v27 s LYS 13 CO -0.03 -0.37 0.02 -0.51 -0.36 0.00 0.00 175.35 174.09 1v27 s LEU 14 N 1.62 3.41 0.05 5.43 1.43 -1.26 0.14 118.68 129.50 1v27 s LEU 14 Ca 0.05 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 1v27 s LEU 14 Cb -0.17 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.04 1v27 s LEU 14 CO 0.06 0.11 0.59 0.86 0.23 0.00 0.00 176.35 178.20 1v27 s TRP 15 N -1.63 -0.53 -0.17 0.29 -0.11 0.77 -2.67 118.94 114.88 1v27 s TRP 15 Ca 0.27 0.63 0.01 0.00 1.22 0.00 0.00 56.10 58.24 1v27 s TRP 15 Cb -0.10 0.42 0.02 0.00 -1.50 0.00 0.00 33.47 32.31 1v27 s TRP 15 CO 0.19 -0.69 -0.20 0.12 -4.62 0.00 0.00 176.95 171.75 1v27 s PHE 16 N -2.41 2.76 -0.90 5.86 5.36 -1.26 -0.10 117.98 127.28 1v27 s PHE 16 Ca -0.05 -1.60 -0.11 0.00 -0.96 0.00 0.00 56.93 54.21 1v27 s PHE 16 Cb -0.01 -1.90 0.23 0.00 -0.34 0.00 0.00 43.02 41.01 1v27 s PHE 16 CO -0.01 -0.78 0.85 -0.51 -1.46 0.00 0.00 175.22 173.31 1v27 s ASP 17 N 1.21 6.81 0.57 6.13 1.11 0.26 -4.84 116.67 127.91 1v27 s ASP 17 Ca 0.03 -3.01 0.38 0.00 0.18 0.00 0.00 52.55 50.13 1v27 s ASP 17 Cb -0.13 -2.18 2.05 0.00 1.07 0.00 0.00 42.92 43.73 1v27 s ASP 17 CO -0.11 -0.46 2.17 0.07 1.18 0.00 0.00 175.17 178.02 1v27 h LYS 18 N 7.33 0.00 0.01 8.23 -0.00 -1.92 0.87 116.57 131.09 1v27 h LYS 18 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.77 1v27 h LYS 18 Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.21 1v27 h LYS 18 CO 0.83 0.00 -0.01 0.28 -0.00 0.00 0.00 179.45 180.55 1v27 h VAL 19 N 0.00 0.00 -0.34 0.07 2.07 -1.94 -3.18 116.25 112.92 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 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 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 -1.01 1.42 3.26 2.17 0.00 -1.12 -4.96 105.19 104.95 1v27 n GLY 20 Ca -0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 1.25 -2.46 -4.22 1.61 -0.00 0.29 -4.72 115.22 106.97 1v27 n HIS 21 Ca 0.19 0.85 -0.18 0.00 -0.00 0.00 0.00 57.72 58.58 1v27 n HIS 21 Cb 0.55 -4.10 -0.11 0.00 -0.00 0.00 0.00 29.99 26.32 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 -4.43 0.97 -0.32 -0.41 -0.21 -0.49 0.21 119.66 114.97 1v27 s GLN 22 Ca 0.45 -1.18 -0.11 0.00 0.02 0.00 0.00 55.36 54.54 1v27 s GLN 22 Cb -0.06 -0.86 -0.02 0.00 1.00 0.00 0.00 33.01 33.07 1v27 s GLN 22 CO 0.74 0.17 0.20 -1.17 -2.12 0.00 0.00 175.29 173.11 1v27 s LEU 23 N -2.32 4.30 -0.61 2.90 2.96 0.26 -0.57 118.68 125.60 1v27 s LEU 23 Ca 0.07 -0.43 -0.22 0.00 -0.22 0.00 0.00 54.13 53.33 1v27 s LEU 23 Cb -0.06 -2.08 0.07 0.00 0.50 0.00 0.00 46.19 44.63 1v27 s LEU 23 CO 0.03 -0.20 0.87 -0.63 -1.32 0.00 0.00 176.35 175.09 1v27 s ILE 24 N 1.68 4.50 -0.39 6.68 1.09 0.85 -0.13 121.20 135.47 1v27 s ILE 24 Ca 0.06 -0.40 -0.08 0.00 -1.10 0.00 0.00 60.65 59.13 1v27 s ILE 24 Cb -0.17 -4.58 0.07 0.00 -1.06 0.00 0.00 42.46 36.72 1v27 s ILE 24 CO 0.09 -1.26 0.21 -0.69 -0.10 0.00 0.00 174.94 173.19 1v27 s VAL 25 N 3.60 4.06 -0.24 2.92 1.01 0.17 -0.17 120.40 131.76 1v27 s VAL 25 Ca 0.20 -1.35 -0.09 0.00 0.00 0.00 0.00 61.98 60.75 1v27 s VAL 25 Cb -0.18 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1v27 s VAL 25 CO 0.11 -0.42 0.11 -0.89 0.00 0.00 0.00 175.10 174.01 1v27 s THR 26 N 1.41 4.84 -0.84 3.92 2.01 0.38 -0.22 115.64 127.12 1v27 s THR 26 Ca 0.02 -0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 1v27 s THR 26 Cb -0.22 -3.25 0.16 0.00 0.01 0.00 0.00 72.50 69.20 1v27 s THR 26 CO 0.02 0.35 0.93 -0.63 -0.69 0.00 0.00 174.62 174.60 1v27 s ILE 27 N 1.25 5.10 0.00 1.82 -1.09 -0.96 0.47 121.20 127.79 1v27 s ILE 27 Ca 0.06 -1.86 0.00 0.00 -2.23 0.00 0.00 60.65 56.62 1v27 s ILE 27 Cb -0.14 -4.62 0.00 0.00 -1.58 0.00 0.00 42.46 36.12 1v27 s ILE 27 CO 0.05 -1.27 0.00 0.18 -1.23 0.00 0.00 174.94 172.67 1v27 n LEU 28 N 5.48 0.00 -3.69 2.97 4.77 -0.54 0.12 117.00 126.12 1v27 n LEU 28 Ca 0.15 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1v27 n LEU 28 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1v27 n LEU 28 CO 0.44 0.00 0.43 -0.83 -1.33 0.00 0.00 177.39 176.11 1v27 s GLY 29 N 0.00 -0.29 0.18 -0.72 0.00 -1.20 0.43 107.32 105.72 1v27 s GLY 29 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 44.72 44.77 1v27 s GLY 29 CO 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 173.10 173.27 1v27 s ALA 30 N -3.85 3.66 0.16 3.20 0.00 -1.00 -1.14 121.76 122.78 1v27 s ALA 30 Ca 0.07 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 1v27 s ALA 30 Cb -0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 1v27 s ALA 30 CO -0.01 0.47 0.21 -1.59 0.00 0.00 0.00 175.76 174.84 1v27 s LYS 31 N -3.25 1.09 -1.24 0.00 0.00 -0.51 -3.44 119.74 112.39 1v27 s LYS 31 Ca 0.32 -1.27 -0.07 0.00 0.00 0.00 0.00 55.97 54.95 1v27 s LYS 31 Cb -0.10 0.33 -0.01 0.00 0.00 0.00 0.00 37.83 38.06 1v27 s LYS 31 CO 0.25 -0.38 0.71 -0.25 0.00 0.00 0.00 175.35 175.68 1v27 n ASP 32 N -0.18 -2.92 -4.92 0.03 9.92 -1.26 -2.41 116.55 114.80 1v27 n ASP 32 Ca -0.06 -0.90 -0.27 0.00 -0.53 0.00 0.00 54.79 53.02 1v27 n ASP 32 Cb 0.63 -3.79 -0.03 0.00 -0.64 0.00 0.00 41.12 37.30 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 -6.53 4.14 0.14 0.64 1.02 -1.26 -3.40 118.68 113.44 1v27 s LEU 33 Ca 0.20 0.51 -0.30 0.00 0.02 0.00 0.00 54.13 54.56 1v27 s LEU 33 Cb -0.06 -3.31 -0.07 0.00 0.02 0.00 0.00 46.19 42.77 1v27 s LEU 33 CO 0.83 -0.13 1.13 -2.16 0.02 0.00 0.00 176.35 176.05 1v27 s PRO 34 N -3.53 4.54 0.22 1.29 0.04 -1.26 -5.02 135.00 131.28 1v27 s PRO 34 Ca 0.40 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.19 1v27 s PRO 34 Cb -0.11 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1v27 s PRO 34 CO 0.30 -0.04 0.03 -1.13 0.04 0.00 0.00 177.00 176.20 1v27 n SER 35 N 2.85 2.00 -1.67 6.66 3.41 -1.26 -4.94 113.62 120.67 1v27 n SER 35 Ca 0.05 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1v27 n SER 35 Cb 0.46 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.53 -4.76 0.00 4.33 1.74 -1.26 -5.05 116.66 111.14 1v27 n ARG 36 Ca -0.07 3.51 0.00 0.00 -0.77 0.00 0.00 57.85 60.52 1v27 n ARG 36 Cb 0.30 -3.92 0.00 0.00 -1.02 0.00 0.00 32.46 27.82 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 -0.46 0.00 -1.85 5.56 2.13 -1.26 -4.96 120.64 119.80 1v27 n GLU 37 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1v27 n GLU 37 Cb 0.00 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.78 1v27 n GLU 37 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1v27 n ASP 38 N 0.00 2.95 -0.99 4.31 8.00 -1.26 -4.91 116.55 124.65 1v27 n ASP 38 Ca 0.00 -3.16 -0.11 0.00 0.71 0.00 0.00 54.79 52.23 1v27 n ASP 38 Cb 0.00 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1v27 n GLY 39 N -0.63 0.71 3.42 0.44 0.00 -1.26 -5.01 105.19 102.86 1v27 n GLY 39 Ca 0.25 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.55 1.52 0.00 1.61 1.81 -1.26 -5.11 118.95 113.97 1v27 s ARG 40 Ca 0.00 -1.73 0.00 0.00 -1.72 0.00 0.00 55.73 52.28 1v27 s ARG 40 Cb 0.00 -1.31 0.00 0.00 -0.45 0.00 0.00 34.95 33.19 1v27 s ARG 40 CO 0.00 0.15 0.00 -0.35 -0.68 0.00 0.00 175.30 174.42 1v27 n PRO 41 N -0.54 0.00 0.00 3.54 -0.04 -1.26 -4.01 135.00 132.69 1v27 n PRO 41 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1v27 n PRO 41 Cb 0.62 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1v27 n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1v27 n ARG 42 N 0.00 0.00 -3.84 0.54 5.12 -1.26 -4.42 116.66 112.80 1v27 n ARG 42 Ca 0.00 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 1v27 n ARG 42 Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 1v27 n ARG 42 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1v27 n ASN 43 N 0.00 3.07 -4.80 0.55 3.02 -1.26 -1.35 115.26 114.48 1v27 n ASN 43 Ca 0.00 -3.23 -0.33 0.00 -0.03 0.00 0.00 54.58 50.99 1v27 n ASN 43 Cb 0.00 -0.75 -0.01 0.00 -0.61 0.00 0.00 39.78 38.41 1v27 n ASN 43 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1v27 s PRO 44 N -1.58 3.53 -0.30 3.52 0.04 -1.18 0.51 135.00 139.55 1v27 s PRO 44 Ca 0.27 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.37 1v27 s PRO 44 Cb -0.02 -2.06 0.19 0.00 0.04 0.00 0.00 34.50 32.65 1v27 s PRO 44 CO -0.15 -0.64 1.18 1.52 0.04 0.00 0.00 177.00 178.95 1v27 s TYR 45 N -2.31 -0.29 0.58 0.56 -0.85 -0.97 -2.72 117.35 111.35 1v27 s TYR 45 Ca 0.64 0.50 -0.13 0.00 -0.52 0.00 0.00 57.07 57.57 1v27 s TYR 45 Cb -0.16 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.30 1v27 s TYR 45 CO 0.31 -0.14 1.02 0.08 -1.52 0.00 0.00 175.55 175.29 1v27 s VAL 46 N 2.10 4.60 -0.19 -3.49 1.01 -1.26 -3.20 120.40 119.97 1v27 s VAL 46 Ca -0.01 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 1v27 s VAL 46 Cb -0.03 -3.79 0.09 0.00 0.00 0.00 0.00 36.38 32.66 1v27 s VAL 46 CO -0.16 -0.96 0.25 -0.75 0.00 0.00 0.00 175.10 173.48 1v27 s LYS 47 N -4.76 0.20 -0.04 2.72 2.20 -1.02 -2.85 119.74 116.19 1v27 s LYS 47 Ca 0.57 0.34 -0.19 0.00 -0.36 0.00 0.00 55.97 56.33 1v27 s LYS 47 Cb -0.11 -0.91 -0.05 0.00 -1.51 0.00 0.00 37.83 35.25 1v27 s LYS 47 CO 0.46 -0.59 0.52 0.42 -0.36 0.00 0.00 175.35 175.80 1v27 s ILE 48 N 2.37 5.02 -0.31 5.43 1.01 -0.81 -3.29 121.20 130.62 1v27 s ILE 48 Ca 0.07 1.08 -0.03 0.00 0.00 0.00 0.00 60.65 61.77 1v27 s ILE 48 Cb -0.15 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.57 1v27 s ILE 48 CO -0.12 0.42 0.14 -0.31 0.00 0.00 0.00 174.94 175.07 1v27 s TYR 49 N -0.08 0.71 -0.03 3.97 2.02 -1.18 -2.32 117.35 120.44 1v27 s TYR 49 Ca 0.28 -1.21 -0.30 0.00 -0.37 0.00 0.00 57.07 55.47 1v27 s TYR 49 Cb -0.17 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1v27 s TYR 49 CO 0.14 -0.84 1.27 0.12 -1.57 0.00 0.00 175.55 174.67 1v27 s PHE 50 N 1.79 3.09 0.17 2.71 2.19 -1.20 -3.79 117.98 122.94 1v27 s PHE 50 Ca 0.11 1.08 0.05 0.00 0.33 0.00 0.00 56.93 58.50 1v27 s PHE 50 Cb -0.18 -3.51 -0.04 0.00 -1.31 0.00 0.00 43.02 37.99 1v27 s PHE 50 CO -0.28 -1.70 0.20 -0.51 1.83 0.00 0.00 175.22 174.76 1v27 s LEU 51 N 2.21 3.99 0.06 6.12 1.43 -1.26 -3.10 118.68 128.13 1v27 s LEU 51 Ca 0.59 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.34 1v27 s LEU 51 Cb -0.27 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1v27 s LEU 51 CO 0.24 0.04 1.16 -2.16 0.23 0.00 0.00 176.35 175.87 1v27 s PRO 52 N -3.28 4.46 0.00 1.29 0.04 -1.26 -4.52 135.00 131.73 1v27 s PRO 52 Ca 0.32 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1v27 s PRO 52 Cb -0.10 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1v27 s PRO 52 CO 0.25 -0.20 0.00 -0.25 0.04 0.00 0.00 177.00 176.84 1v27 n ASP 53 N 3.78 0.00 -1.98 6.66 8.00 -1.18 -5.05 116.55 126.79 1v27 n ASP 53 Ca 0.08 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.34 1v27 n ASP 53 Cb 0.47 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.66 1v27 n ASP 53 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1v27 n ARG 54 N 0.00 2.81 -3.93 -1.24 1.74 -1.26 -4.19 116.66 110.58 1v27 n ARG 54 Ca 0.00 -3.57 -0.16 0.00 -0.77 0.00 0.00 57.85 53.35 1v27 n ARG 54 Cb 0.00 -2.18 -0.06 0.00 -1.02 0.00 0.00 32.46 29.20 1v27 n ARG 54 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1v27 n SER 55 N -0.90 -0.84 -3.31 0.55 2.88 -1.26 -5.12 113.62 105.62 1v27 n SER 55 Ca 0.50 -2.90 -0.18 0.00 -1.33 0.00 0.00 58.87 54.97 1v27 n SER 55 Cb 0.92 1.77 0.17 0.00 -0.75 0.00 0.00 64.21 66.32 1v27 n SER 55 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1v27 n ASP 56 N -1.77 -3.18 0.00 -3.46 8.00 -1.26 -3.46 116.55 111.43 1v27 n ASP 56 Ca 0.05 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.04 1v27 n ASP 56 Cb 0.54 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1v27 n ASP 56 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1v27 n LYS 57 N -2.91 0.00 -0.72 -1.24 4.81 -1.26 -4.11 118.16 112.73 1v27 n LYS 57 Ca 0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.47 1v27 n LYS 57 Cb 0.35 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.61 1v27 n LYS 57 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1v27 n ASN 58 N 4.52 3.94 -4.29 3.14 2.85 -1.25 -4.83 115.26 119.33 1v27 n ASN 58 Ca 0.00 -2.85 -0.33 0.00 -0.11 0.00 0.00 54.58 51.29 1v27 n ASN 58 Cb 0.00 -0.68 -0.15 0.00 1.24 0.00 0.00 39.78 40.19 1v27 n ASN 58 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1v27 s LYS 59 N -2.24 3.25 -0.08 1.20 2.20 -1.22 -3.24 119.74 119.62 1v27 s LYS 59 Ca 0.38 -0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 55.22 1v27 s LYS 59 Cb 0.31 -2.61 0.04 0.00 -1.51 0.00 0.00 37.83 34.06 1v27 s LYS 59 CO 0.09 0.08 0.14 1.03 -0.36 0.00 0.00 175.35 176.34 1v27 s ARG 60 N 0.65 0.02 0.27 4.03 1.81 -0.98 -4.92 118.95 119.84 1v27 s ARG 60 Ca -0.08 0.52 0.09 0.00 -1.72 0.00 0.00 55.73 54.54 1v27 s ARG 60 Cb -0.16 -0.30 -0.05 0.00 -0.45 0.00 0.00 34.95 33.99 1v27 s ARG 60 CO 0.02 -0.30 -0.13 -0.98 -0.68 0.00 0.00 175.30 173.24 1v27 s ARG 61 N 2.17 1.59 0.65 3.54 3.03 -1.26 -1.93 118.95 126.73 1v27 s ARG 61 Ca 0.02 -1.76 -0.09 0.00 2.03 0.00 0.00 55.73 55.93 1v27 s ARG 61 Cb -0.12 -1.43 0.01 0.00 -1.03 0.00 0.00 34.95 32.38 1v27 s ARG 61 CO -0.05 0.18 1.00 0.95 -1.13 0.00 0.00 175.30 176.24 1v27 s THR 62 N -2.78 3.65 0.55 4.99 -4.23 -1.13 -4.98 115.64 111.71 1v27 s THR 62 Ca 0.28 0.29 -0.22 0.00 -1.18 0.00 0.00 61.69 60.87 1v27 s THR 62 Cb -0.00 -3.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 1v27 s THR 62 CO 0.12 -0.59 1.33 2.29 -0.54 0.00 0.00 174.62 177.23 1v27 n LYS 63 N -2.79 1.62 -2.68 3.99 2.85 -1.26 -4.72 118.16 115.17 1v27 n LYS 63 Ca 0.06 0.60 -0.43 0.00 -1.05 0.00 0.00 58.31 57.49 1v27 n LYS 63 Cb 0.57 -2.54 -0.02 0.00 -0.65 0.00 0.00 35.03 32.39 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 -1.30 4.49 -0.03 0.58 2.01 -1.26 -4.82 115.64 115.31 1v27 s THR 64 Ca 0.72 1.54 -0.18 0.00 0.31 0.00 0.00 61.69 64.08 1v27 s THR 64 Cb -0.42 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 67.62 1v27 s THR 64 CO 0.49 -0.56 0.49 -0.69 -0.69 0.00 0.00 174.62 173.66 1v27 s VAL 65 N 3.71 5.02 -0.08 3.82 1.01 -1.10 -5.05 120.40 127.72 1v27 s VAL 65 Ca 0.44 1.00 0.02 0.00 0.00 0.00 0.00 61.98 63.44 1v27 s VAL 65 Cb -0.11 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1v27 s VAL 65 CO 0.18 0.46 -0.13 -0.54 0.00 0.00 0.00 175.10 175.07 1v27 s LYS 66 N -0.33 2.88 -0.64 2.72 1.02 -1.26 -3.12 119.74 121.00 1v27 s LYS 66 Ca 0.26 -0.67 -0.05 0.00 0.02 0.00 0.00 55.97 55.53 1v27 s LYS 66 Cb -0.17 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1v27 s LYS 66 CO 0.14 0.47 0.67 1.63 -0.92 0.00 0.00 175.35 177.33 1v27 n LYS 67 N 2.78 -1.65 -3.19 1.68 5.02 -0.46 -5.01 118.16 117.33 1v27 n LYS 67 Ca -0.18 1.69 0.04 0.00 -2.02 0.00 0.00 58.31 57.85 1v27 n LYS 67 Cb 0.52 -5.72 -0.03 0.00 -0.02 0.00 0.00 35.03 29.78 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 -2.88 -0.16 -0.49 -0.18 -1.32 -1.14 -4.95 115.64 104.53 1v27 s THR 68 Ca 0.08 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.79 1v27 s THR 68 Cb -0.02 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.25 1v27 s THR 68 CO 0.76 0.00 1.57 -0.07 -2.21 0.00 0.00 174.62 174.67 1v27 h LEU 69 N 7.59 0.00 -6.94 9.08 3.38 -1.94 -3.39 115.31 123.09 1v27 h LEU 69 Ca -0.12 -0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.22 1v27 h LEU 69 Cb 1.15 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.50 1v27 h LEU 69 CO -0.06 0.00 -0.72 -1.61 0.09 0.00 0.00 178.44 176.15 1v27 s GLU 70 N -3.20 1.70 0.71 1.13 2.02 -1.26 -4.10 118.70 115.70 1v27 s GLU 70 Ca 0.07 -2.57 -0.11 0.00 0.02 0.00 0.00 54.97 52.38 1v27 s GLU 70 Cb 0.07 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.67 1v27 s GLU 70 CO 0.67 -1.25 1.06 -1.25 0.02 0.00 0.00 175.26 174.52 1v27 s PRO 71 N -0.42 2.84 -0.35 0.39 0.04 -1.22 -4.85 135.00 131.43 1v27 s PRO 71 Ca 0.23 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1v27 s PRO 71 Cb -0.12 -1.98 0.14 0.00 0.04 0.00 0.00 34.50 32.58 1v27 s PRO 71 CO -0.10 -1.16 0.24 0.15 0.04 0.00 0.00 177.00 176.18 1v27 s LYS 72 N -5.06 0.54 -0.04 4.56 1.02 -1.26 -2.38 119.74 117.12 1v27 s LYS 72 Ca 0.58 -1.14 -0.12 0.00 0.02 0.00 0.00 55.97 55.30 1v27 s LYS 72 Cb -0.14 -1.14 -0.31 0.00 -0.52 0.00 0.00 37.83 35.71 1v27 s LYS 72 CO 0.55 -1.19 0.71 -1.49 -0.92 0.00 0.00 175.35 173.01 1v27 h TRP 73 N 7.14 0.74 -5.44 3.18 6.55 -0.12 -3.47 115.95 124.54 1v27 h TRP 73 Ca 0.04 -0.54 -0.26 0.00 0.95 0.00 0.00 58.89 59.08 1v27 h TRP 73 Cb 0.99 -0.03 -0.16 0.00 -0.86 0.00 0.00 29.16 29.11 1v27 h TRP 73 CO 0.40 1.65 -0.37 0.09 -1.05 0.00 0.00 178.44 179.16 1v27 n ASN 74 N -3.65 -1.19 -4.21 -3.49 3.02 0.33 -4.85 115.26 101.23 1v27 n ASN 74 Ca -0.24 -0.29 -0.25 0.00 -0.03 0.00 0.00 54.58 53.78 1v27 n ASN 74 Cb 1.06 -1.09 0.15 0.00 -0.61 0.00 0.00 39.78 39.29 1v27 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1v27 n GLN 75 N -2.79 -0.63 -4.17 3.52 1.13 -1.11 -4.84 117.38 108.49 1v27 n GLN 75 Ca 0.05 -2.37 -0.17 0.00 -1.94 0.00 0.00 57.00 52.57 1v27 n GLN 75 Cb 0.40 -0.96 -0.12 0.00 0.11 0.00 0.00 30.24 29.67 1v27 n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1v27 s THR 76 N -3.39 0.85 -0.13 5.09 2.01 -1.26 -2.26 115.64 116.54 1v27 s THR 76 Ca 0.69 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 1v27 s THR 76 Cb -0.03 -0.83 0.05 0.00 0.01 0.00 0.00 72.50 71.71 1v27 s THR 76 CO 0.47 -0.20 0.09 -0.36 -0.69 0.00 0.00 174.62 173.93 1v27 s PHE 77 N -1.12 0.11 -0.40 4.92 0.08 0.69 -4.93 117.98 117.33 1v27 s PHE 77 Ca -0.04 -0.08 -0.18 0.00 0.12 0.00 0.00 56.93 56.75 1v27 s PHE 77 Cb -0.09 -0.59 0.01 0.00 -0.57 0.00 0.00 43.02 41.78 1v27 s PHE 77 CO 0.01 -0.42 0.47 0.42 -0.10 0.00 0.00 175.22 175.60 1v27 s ILE 78 N 2.17 5.04 -0.32 0.64 1.01 -1.25 0.41 121.20 128.90 1v27 s ILE 78 Ca 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 1v27 s ILE 78 Cb -0.15 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.33 1v27 s ILE 78 CO -0.08 -0.35 0.12 -0.31 0.00 0.00 0.00 174.94 174.32 1v27 s TYR 79 N 2.28 3.19 0.12 3.97 2.02 0.81 -4.83 117.35 124.92 1v27 s TYR 79 Ca 0.15 -1.05 -0.07 0.00 -0.37 0.00 0.00 57.07 55.73 1v27 s TYR 79 Cb -0.16 -2.30 -0.01 0.00 -0.40 0.00 0.00 41.96 39.08 1v27 s TYR 79 CO 0.14 -0.62 0.18 -1.54 -1.57 0.00 0.00 175.55 172.15 1v27 s SER 80 N 1.49 0.15 0.32 2.29 1.04 -1.26 0.92 113.70 118.66 1v27 s SER 80 Ca 0.02 -0.85 -0.28 0.00 0.48 0.00 0.00 55.95 55.32 1v27 s SER 80 Cb -0.18 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 1v27 s SER 80 CO 0.04 -0.78 1.07 -2.16 0.98 0.00 0.00 173.24 172.39 1v27 s PRO 81 N -3.93 4.49 -0.24 4.02 0.04 -1.26 -5.06 135.00 133.06 1v27 s PRO 81 Ca 0.12 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 1v27 s PRO 81 Cb 0.05 -2.97 0.08 0.00 0.04 0.00 0.00 34.50 31.70 1v27 s PRO 81 CO -0.05 0.11 0.09 0.08 0.04 0.00 0.00 177.00 177.27 1v27 s VAL 82 N -1.33 0.29 0.51 -0.36 1.01 0.55 -4.98 120.40 116.09 1v27 s VAL 82 Ca 0.49 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1v27 s VAL 82 Cb -0.28 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1v27 s VAL 82 CO 0.36 -0.46 0.76 -1.00 0.00 0.00 0.00 175.10 174.75 1v27 s HIS 83 N 1.94 3.19 -0.24 5.22 3.76 -1.26 -3.66 115.29 124.24 1v27 s HIS 83 Ca 0.05 0.33 0.20 0.00 -0.15 0.00 0.00 55.06 55.49 1v27 s HIS 83 Cb -0.17 -2.50 0.32 0.00 1.11 0.00 0.00 32.58 31.35 1v27 s HIS 83 CO -0.20 -0.57 1.58 -0.09 -0.85 0.00 0.00 174.74 174.61 1v27 h ARG 84 N 0.18 0.00 -0.01 1.40 9.65 -2.00 -2.93 114.38 120.68 1v27 h ARG 84 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 1v27 h ARG 84 Cb 1.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1v27 h ARG 84 CO 0.58 0.24 -0.03 2.89 2.80 0.00 0.00 179.97 186.44 1v27 n ARG 85 N -3.18 1.11 -0.00 0.20 1.85 -1.26 -3.05 116.66 112.32 1v27 n ARG 85 Ca 0.03 -0.36 0.09 0.00 -1.00 0.00 0.00 57.85 56.61 1v27 n ARG 85 Cb 0.60 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.40 1v27 n ARG 85 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1v27 n GLU 86 N -0.63 0.69 -0.33 2.89 1.02 -1.11 -4.36 120.64 118.81 1v27 n GLU 86 Ca 0.20 -0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.29 1v27 n GLU 86 Cb 0.23 -1.41 0.13 0.00 -0.02 0.00 0.00 31.44 30.38 1v27 n GLU 86 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1v27 h PHE 87 N 0.00 1.19 -0.08 -0.32 -1.00 -1.58 0.34 116.94 115.49 1v27 h PHE 87 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1v27 h PHE 87 Cb 0.52 -0.40 0.00 0.00 3.61 0.00 0.00 35.95 39.68 1v27 h PHE 87 CO 0.00 0.77 0.00 2.89 -1.61 0.00 0.00 178.31 180.36 1v27 n ARG 88 N -4.38 1.34 0.00 1.51 1.85 -1.26 -2.20 116.66 113.53 1v27 n ARG 88 Ca 0.11 -0.52 0.00 0.00 -1.00 0.00 0.00 57.85 56.44 1v27 n ARG 88 Cb 0.04 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1v27 n ARG 88 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1v27 n GLU 89 N -0.26 0.66 -3.71 2.89 1.02 0.14 -5.01 120.64 116.37 1v27 n GLU 89 Ca 0.14 -0.80 -0.12 0.00 -0.02 0.00 0.00 57.16 56.36 1v27 n GLU 89 Cb 0.19 -0.89 -0.07 0.00 -0.02 0.00 0.00 31.44 30.65 1v27 n GLU 89 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1v27 s ARG 90 N -0.36 0.86 0.00 3.49 6.06 0.98 -5.01 118.95 124.97 1v27 s ARG 90 Ca 0.00 -0.41 -0.05 0.00 -2.50 0.00 0.00 55.73 52.77 1v27 s ARG 90 Cb 0.00 0.38 -0.00 0.00 0.06 0.00 0.00 34.95 35.39 1v27 s ARG 90 CO 0.00 -0.28 0.10 1.41 -2.50 0.00 0.00 175.30 174.02 1v27 s MET 91 N -2.43 0.41 0.16 5.12 -2.45 -1.26 -3.63 119.30 115.22 1v27 s MET 91 Ca -0.06 -0.39 -0.08 0.00 -1.25 0.00 0.00 55.69 53.91 1v27 s MET 91 Cb -0.01 0.17 -0.06 0.00 1.25 0.00 0.00 34.83 36.17 1v27 s MET 91 CO -0.02 -0.09 0.46 -0.51 1.05 0.00 0.00 175.02 175.91 1v27 s LEU 92 N -1.26 4.25 -0.32 4.11 1.43 -0.35 -3.99 118.68 122.55 1v27 s LEU 92 Ca -0.14 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1v27 s LEU 92 Cb -0.07 -3.39 0.11 0.00 0.03 0.00 0.00 46.19 42.86 1v27 s LEU 92 CO 0.01 0.03 0.12 -0.70 0.23 0.00 0.00 176.35 176.04 1v27 s GLU 93 N -2.52 0.66 -0.00 1.70 2.12 -1.25 -2.49 118.70 116.92 1v27 s GLU 93 Ca 0.42 -1.07 -0.02 0.00 0.36 0.00 0.00 54.97 54.66 1v27 s GLU 93 Cb -0.12 -1.83 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 1v27 s GLU 93 CO 0.22 -1.02 0.14 0.42 -0.54 0.00 0.00 175.26 174.48 1v27 s ILE 94 N 1.56 5.14 0.02 -3.70 1.09 0.19 -3.12 121.20 122.38 1v27 s ILE 94 Ca 0.11 -0.28 -0.07 0.00 -1.10 0.00 0.00 60.65 59.31 1v27 s ILE 94 Cb -0.18 -3.39 -0.00 0.00 -1.06 0.00 0.00 42.46 37.83 1v27 s ILE 94 CO -0.24 0.32 0.13 0.42 -0.10 0.00 0.00 174.94 175.48 1v27 s THR 95 N -1.28 0.11 -0.11 2.92 -4.23 -1.21 0.13 115.64 111.96 1v27 s THR 95 Ca 0.26 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.90 1v27 s THR 95 Cb -0.12 -0.69 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 1v27 s THR 95 CO 0.17 -0.49 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.37 1v27 s LEU 96 N -1.79 2.49 0.25 4.79 2.96 0.19 -2.44 118.68 125.13 1v27 s LEU 96 Ca -0.09 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1v27 s LEU 96 Cb -0.04 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 1v27 s LEU 96 CO -0.02 0.18 0.08 0.26 -1.32 0.00 0.00 176.35 175.53 1v27 s TRP 97 N 0.27 1.54 -0.31 5.38 0.52 -1.19 -0.80 118.94 124.34 1v27 s TRP 97 Ca -0.12 -1.15 0.02 0.00 0.02 0.00 0.00 56.10 54.88 1v27 s TRP 97 Cb -0.16 -0.91 0.09 0.00 -1.15 0.00 0.00 33.47 31.34 1v27 s TRP 97 CO 0.06 -0.29 0.04 0.34 0.02 0.00 0.00 176.95 177.12 1v27 s ASP 98 N -3.31 4.42 -0.51 2.95 2.15 0.06 -2.29 116.67 120.13 1v27 s ASP 98 Ca 0.36 -1.82 -0.33 0.00 0.43 0.00 0.00 52.55 51.19 1v27 s ASP 98 Cb 0.08 -1.35 -0.13 0.00 -0.30 0.00 0.00 42.92 41.21 1v27 s ASP 98 CO 0.13 -0.36 2.33 1.67 -0.17 0.00 0.00 175.17 178.78 1v27 n GLN 99 N 4.48 0.80 -1.55 4.34 0.00 0.18 -3.27 117.38 122.37 1v27 n GLN 99 Ca -0.01 0.16 -0.12 0.00 -0.00 0.00 0.00 57.00 57.02 1v27 n GLN 99 Cb 0.42 -2.41 0.07 0.00 0.00 0.00 0.00 30.24 28.31 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v27 n ALA 100 N 11.06 -0.00 -0.18 1.69 0.00 -0.86 -4.41 120.51 127.82 1v27 n ALA 100 Ca 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1v27 n ALA 100 Cb 0.24 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.01 0.00 -4.54 0.00 5.12 -1.26 -4.32 116.66 109.65 1v27 n ARG 101 Ca 0.09 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.75 1v27 n ARG 101 Cb 0.30 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.50 1v27 n ARG 101 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1v27 s VAL 102 N 0.00 1.52 -1.17 1.55 -7.23 -1.26 -4.70 120.40 109.10 1v27 s VAL 102 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1v27 s VAL 102 Cb 0.00 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1v27 s VAL 102 CO 0.00 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.33 1v27 n ARG 103 N -0.85 -1.74 -2.88 4.82 1.74 -1.26 -3.35 116.66 113.14 1v27 n ARG 103 Ca -0.04 0.66 -0.01 0.00 -0.77 0.00 0.00 57.85 57.68 1v27 n ARG 103 Cb 0.67 -5.07 -0.01 0.00 -1.02 0.00 0.00 32.46 27.03 1v27 n ARG 103 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1v27 n GLU 104 N -2.30 -2.53 0.08 5.56 2.13 -1.26 -5.01 120.64 117.32 1v27 n GLU 104 Ca -0.13 2.16 0.00 0.00 0.66 0.00 0.00 57.16 59.84 1v27 n GLU 104 Cb 0.50 -3.41 0.00 0.00 0.27 0.00 0.00 31.44 28.80 1v27 n GLU 104 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1v27 n GLU 105 N 1.38 0.00 -4.09 5.31 2.13 -1.21 -5.09 120.64 119.07 1v27 n GLU 105 Ca -0.09 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.43 1v27 n GLU 105 Cb 0.28 -0.31 -0.07 0.00 0.27 0.00 0.00 31.44 31.62 1v27 n GLU 105 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1v27 s GLU 106 N -1.97 2.76 -0.10 5.31 2.02 -1.26 -5.07 118.70 120.38 1v27 s GLU 106 Ca 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 1v27 s GLU 106 Cb 0.00 -2.63 0.04 0.00 0.10 0.00 0.00 34.13 31.64 1v27 s GLU 106 CO 0.00 0.53 0.03 -1.12 0.02 0.00 0.00 175.26 174.72 1v27 s SER 107 N -2.56 1.89 -0.08 -0.19 0.01 -1.26 -2.02 113.70 109.49 1v27 s SER 107 Ca 0.29 -0.28 -0.16 0.00 1.31 0.00 0.00 55.95 57.11 1v27 s SER 107 Cb -0.11 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.66 1v27 s SER 107 CO 0.21 -0.25 0.41 -0.70 0.41 0.00 0.00 173.24 173.32 1v27 s GLU 108 N 2.00 4.14 -0.13 12.44 2.12 -1.20 -4.94 118.70 133.13 1v27 s GLU 108 Ca 0.03 0.36 -0.26 0.00 0.36 0.00 0.00 54.97 55.47 1v27 s GLU 108 Cb -0.14 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1v27 s GLU 108 CO -0.06 0.40 0.84 0.12 -0.54 0.00 0.00 175.26 176.02 1v27 s PHE 109 N -0.13 3.48 -0.18 5.30 2.19 -1.26 -0.76 117.98 126.62 1v27 s PHE 109 Ca 0.23 1.32 -0.14 0.00 0.33 0.00 0.00 56.93 58.67 1v27 s PHE 109 Cb -0.15 -3.00 -0.07 0.00 -1.31 0.00 0.00 43.02 38.48 1v27 s PHE 109 CO 0.10 -0.16 -0.19 1.28 1.83 0.00 0.00 175.22 178.08 1v27 n LEU 110 N 4.84 1.87 -3.83 6.12 4.77 0.02 -1.07 117.00 129.71 1v27 n LEU 110 Ca 0.04 0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 56.42 1v27 n LEU 110 Cb 0.49 -0.84 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1v27 n LEU 110 CO 0.49 -0.19 0.49 -0.83 -1.33 0.00 0.00 177.39 176.02 1v27 s GLY 111 N -4.67 0.31 0.02 -0.72 0.00 -0.84 -4.05 107.32 97.38 1v27 s GLY 111 Ca -0.24 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 43.82 1v27 s GLY 111 CO 0.37 -0.29 -0.07 -1.83 0.00 0.00 0.00 173.10 171.28 1v27 s GLU 112 N -2.75 0.50 -0.20 2.90 -1.05 -1.09 -0.64 118.70 116.37 1v27 s GLU 112 Ca 0.15 -0.47 -0.01 0.00 -0.15 0.00 0.00 54.97 54.49 1v27 s GLU 112 Cb -0.05 -0.38 0.05 0.00 -0.44 0.00 0.00 34.13 33.31 1v27 s GLU 112 CO 0.11 0.09 -0.03 0.42 0.95 0.00 0.00 175.26 176.80 1v27 s ILE 113 N -0.72 1.08 -0.17 1.83 1.01 0.34 -3.01 121.20 121.55 1v27 s ILE 113 Ca -0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1v27 s ILE 113 Cb -0.06 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1v27 s ILE 113 CO 0.00 -0.05 0.07 -0.76 0.00 0.00 0.00 174.94 174.21 1v27 s LEU 114 N 1.62 3.91 -0.05 2.97 2.01 -1.26 -0.64 118.68 127.24 1v27 s LEU 114 Ca -0.02 0.15 -0.00 0.00 0.01 0.00 0.00 54.13 54.26 1v27 s LEU 114 Cb -0.17 -1.98 0.03 0.00 0.01 0.00 0.00 46.19 44.07 1v27 s LEU 114 CO -0.07 0.21 0.00 -0.63 1.01 0.00 0.00 176.35 176.87 1v27 s ILE 115 N 0.14 0.28 -0.20 -0.59 1.01 -1.04 -5.01 121.20 115.79 1v27 s ILE 115 Ca 0.06 0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.59 1v27 s ILE 115 Cb -0.12 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 1v27 s ILE 115 CO 0.00 0.20 0.67 -1.61 0.00 0.00 0.00 174.94 174.21 1v27 s GLU 116 N 1.48 4.22 0.51 2.79 2.02 -1.26 -1.21 118.70 127.25 1v27 s GLU 116 Ca -0.03 0.69 0.25 0.00 0.02 0.00 0.00 54.97 55.91 1v27 s GLU 116 Cb -0.13 -3.58 1.35 0.00 0.10 0.00 0.00 34.13 31.86 1v27 s GLU 116 CO -0.03 -0.27 1.93 -0.07 0.02 0.00 0.00 175.26 176.84 1v27 h LEU 117 N 8.29 0.10 0.08 1.80 3.38 -1.70 1.31 115.31 128.56 1v27 h LEU 117 Ca -0.30 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1v27 h LEU 117 Cb 1.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1v27 h LEU 117 CO 0.79 0.05 -0.04 -0.08 0.09 0.00 0.00 178.44 179.25 1v27 h GLU 118 N 0.10 -0.10 -0.58 1.13 4.81 -1.65 -2.77 114.58 115.52 1v27 h GLU 118 Ca 0.36 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.49 1v27 h GLU 118 Cb 1.26 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1v27 h GLU 118 CO -0.04 -0.00 0.11 0.25 -0.73 0.00 0.00 179.01 178.60 1v27 n THR 119 N -5.10 2.76 -2.27 0.32 -2.24 0.06 -4.91 114.28 102.90 1v27 n THR 119 Ca -0.08 -1.65 -0.40 0.00 -2.27 0.00 0.00 64.05 59.64 1v27 n THR 119 Cb 0.10 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.91 2.57 -0.91 6.98 0.00 0.43 -4.82 121.76 123.10 1v27 s ALA 120 Ca 0.52 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 51.49 1v27 s ALA 120 Cb 0.42 -4.20 -0.11 0.00 0.00 0.00 0.00 23.12 19.22 1v27 s ALA 120 CO 0.13 -3.34 2.15 -0.48 0.00 0.00 0.00 175.76 174.22 1v27 s LEU 121 N 7.16 2.93 -0.25 0.00 0.05 -1.26 -4.89 118.68 122.42 1v27 s LEU 121 Ca 0.56 -0.53 -0.19 0.00 0.05 0.00 0.00 54.13 54.01 1v27 s LEU 121 Cb -0.12 -2.56 -0.02 0.00 -2.05 0.00 0.00 46.19 41.44 1v27 s LEU 121 CO 0.22 -3.50 0.57 -0.76 -0.55 0.00 0.00 176.35 172.33 1v27 s LEU 122 N 12.98 4.07 0.00 1.48 1.43 -1.26 -4.82 118.68 132.55 1v27 s LEU 122 Ca 0.80 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 1v27 s LEU 122 Cb -0.08 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.40 1v27 s LEU 122 CO 0.07 -0.31 0.87 -0.67 0.23 0.00 0.00 176.35 176.53 1v27 n ASP 123 N 5.52 -0.54 -4.42 2.29 2.03 -1.24 -4.95 116.55 115.23 1v27 n ASP 123 Ca -0.02 -1.71 -0.40 0.00 0.52 0.00 0.00 54.79 53.17 1v27 n ASP 123 Cb 0.49 0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 40.98 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1v27 n ASP 124 N 0.03 -2.11 -4.27 1.67 2.03 -1.09 -4.90 116.55 107.92 1v27 n ASP 124 Ca -0.17 -1.15 -0.24 0.00 0.52 0.00 0.00 54.79 53.76 1v27 n ASP 124 Cb 0.67 -1.81 -0.13 0.00 -0.72 0.00 0.00 41.12 39.14 1v27 n ASP 124 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1v27 s GLU 125 N -7.11 1.12 -0.07 -0.67 -1.05 -1.26 -5.01 118.70 104.65 1v27 s GLU 125 Ca 0.80 -1.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.21 1v27 s GLU 125 Cb -0.46 -1.34 -0.03 0.00 -0.44 0.00 0.00 34.13 31.86 1v27 s GLU 125 CO 0.98 0.32 1.23 -1.25 0.95 0.00 0.00 175.26 177.48 1v27 s PRO 126 N -1.79 4.33 -0.07 -4.83 0.04 -1.26 -4.45 135.00 126.96 1v27 s PRO 126 Ca 0.06 1.70 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1v27 s PRO 126 Cb -0.10 -3.60 0.01 0.00 0.04 0.00 0.00 34.50 30.85 1v27 s PRO 126 CO 0.04 -0.50 -0.16 -1.01 0.04 0.00 0.00 177.00 175.40 1v27 s HIS 127 N 2.45 1.77 -0.30 0.56 3.76 -1.24 -5.01 115.29 117.28 1v27 s HIS 127 Ca 0.56 -0.65 -0.22 0.00 -0.15 0.00 0.00 55.06 54.61 1v27 s HIS 127 Cb -0.25 -1.24 -0.00 0.00 1.11 0.00 0.00 32.58 32.20 1v27 s HIS 127 CO 0.21 -0.29 0.73 -1.58 -0.85 0.00 0.00 174.74 172.96 1v27 s TRP 128 N 0.45 3.21 -0.30 1.40 0.52 -1.26 -2.58 118.94 120.39 1v27 s TRP 128 Ca -0.13 0.74 -0.07 0.00 0.02 0.00 0.00 56.10 56.65 1v27 s TRP 128 Cb -0.15 -3.11 0.00 0.00 -1.15 0.00 0.00 33.47 29.06 1v27 s TRP 128 CO 0.05 -0.52 0.09 0.71 0.02 0.00 0.00 176.95 177.30 1v27 s TYR 129 N 2.81 3.15 0.42 -1.98 2.02 0.35 -4.90 117.35 119.23 1v27 s TYR 129 Ca 0.30 -0.87 -0.26 0.00 -0.37 0.00 0.00 57.07 55.87 1v27 s TYR 129 Cb -0.14 -2.27 -0.10 0.00 -0.40 0.00 0.00 41.96 39.05 1v27 s TYR 129 CO 0.12 -0.54 1.35 1.63 -1.57 0.00 0.00 175.55 176.54 1v27 n LYS 130 N 4.89 2.13 -3.54 -0.62 5.02 -1.26 -2.44 118.16 122.33 1v27 n LYS 130 Ca -0.14 0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 56.56 1v27 n LYS 130 Cb 0.48 -2.50 -0.05 0.00 -0.02 0.00 0.00 35.03 32.95 1v27 n LYS 130 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1v27 s LEU 131 N -2.03 4.30 -0.17 -0.35 1.43 -0.95 -4.87 118.68 116.03 1v27 s LEU 131 Ca 0.60 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 1v27 s LEU 131 Cb -0.49 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1v27 s LEU 131 CO 0.59 0.10 -0.20 0.00 0.23 0.00 0.00 176.35 177.07 1v27 s GLN 132 N -2.21 2.90 -0.11 1.70 -2.07 -1.16 -4.68 119.66 114.02 1v27 s GLN 132 Ca 0.38 -0.80 -0.08 0.00 -1.82 0.00 0.00 55.36 53.04 1v27 s GLN 132 Cb -0.13 -2.47 -0.05 0.00 -1.09 0.00 0.00 33.01 29.27 1v27 s GLN 132 CO 0.20 -0.16 -0.19 0.25 -1.32 0.00 0.00 175.29 174.07 1v27 n THR 133 N 4.50 1.02 -0.98 3.63 -2.24 -1.26 -2.67 114.28 116.28 1v27 n THR 133 Ca -0.20 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 1v27 n THR 133 Cb 0.50 -1.81 -0.05 0.00 -2.10 0.00 0.00 70.33 66.88 1v27 n THR 133 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1v27 n HIS 134 N -3.78 1.47 -0.59 4.78 -0.00 -1.26 -4.91 115.22 110.93 1v27 n HIS 134 Ca -0.21 -2.24 -0.30 0.00 -0.00 0.00 0.00 57.72 54.98 1v27 n HIS 134 Cb 0.54 -1.93 0.21 0.00 -0.00 0.00 0.00 29.99 28.81 1v27 n HIS 134 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1v27 n ASP 135 N 3.59 -0.64 -3.16 0.26 5.68 -1.26 -5.04 116.55 115.97 1v27 n ASP 135 Ca 0.56 0.16 0.04 0.00 -0.50 0.00 0.00 54.79 55.05 1v27 n ASP 135 Cb 0.31 -1.37 -0.03 0.00 -1.14 0.00 0.00 41.12 38.88 1v27 n ASP 135 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1v27 s SER 136 N -2.52 -0.05 0.00 -1.12 1.04 -1.26 -5.17 113.70 104.62 1v27 s SER 136 Ca 0.67 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1v27 s SER 136 Cb -0.24 1.05 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1v27 s SER 136 CO 0.61 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.43 1v27 n GLY 137 N 4.78 1.75 3.80 7.32 0.00 -1.26 -5.10 105.19 116.48 1v27 n GLY 137 Ca -0.07 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 1v27 n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v27 s PRO 138 N -1.45 1.86 -0.27 1.61 0.04 -1.26 -5.07 135.00 130.46 1v27 s PRO 138 Ca 0.00 0.56 -0.00 0.00 0.04 0.00 0.00 61.00 61.60 1v27 s PRO 138 Cb 0.00 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 32.78 1v27 s PRO 138 CO 0.00 -1.76 0.36 0.45 0.04 0.00 0.00 177.00 176.09 1v27 s SER 139 N -3.93 0.73 -0.26 6.66 0.15 -1.26 -5.12 113.70 110.67 1v27 s SER 139 Ca 0.61 -0.30 -0.28 0.00 0.70 0.00 0.00 55.95 56.69 1v27 s SER 139 Cb -0.14 0.92 0.01 0.00 -1.71 0.00 0.00 66.02 65.09 1v27 s SER 139 CO 0.54 -0.35 1.01 -0.55 1.20 0.00 0.00 173.24 175.10 1v27 s SER 140 N 2.49 7.00 0.00 5.45 0.15 -1.26 -5.31 113.70 122.22 1v27 s SER 140 Ca 0.10 1.22 0.00 0.00 0.70 0.00 0.00 55.95 57.97 1v27 s SER 140 Cb -0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1v27 s SER 140 CO -0.26 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.09