#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 -0.60 0.47 1.61 1.04 -1.26 -4.96 113.70 109.99 1v27 s SER 2 Ca 0.00 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1v27 s SER 2 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1v27 s SER 2 CO 0.00 -0.49 0.00 -0.24 0.98 0.00 0.00 173.24 173.49 1v27 n SER 3 N 1.41 -7.24 0.00 7.02 2.88 -1.26 -5.08 113.62 111.36 1v27 n SER 3 Ca -0.18 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1v27 n SER 3 Cb 0.56 -4.15 0.00 0.00 -0.75 0.00 0.00 64.21 59.88 1v27 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v27 n GLY 4 N -4.06 1.63 0.00 0.46 0.00 -1.26 -5.07 105.19 96.89 1v27 n GLY 4 Ca -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -1.20 1.61 2.88 -1.26 -5.07 113.62 110.58 1v27 n SER 5 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1v27 n SER 5 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1v27 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v27 n SER 6 N 0.00 -7.11 -3.80 -3.46 7.64 -1.26 -4.70 113.62 100.92 1v27 n SER 6 Ca 0.00 1.04 -0.10 0.00 1.01 0.00 0.00 58.87 60.83 1v27 n SER 6 Cb 0.00 -2.97 -0.05 0.00 -1.01 0.00 0.00 64.21 60.18 1v27 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v27 s GLY 7 N -6.22 0.07 0.00 0.23 0.00 -1.26 -4.67 107.32 95.48 1v27 s GLY 7 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1v27 s GLY 7 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1v27 n GLY 8 N -0.30 1.97 3.10 0.20 0.00 -1.25 -4.72 105.19 104.19 1v27 n GLY 8 Ca -0.09 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 4.03 1.33 -0.02 1.61 -0.21 -0.88 -2.55 119.66 122.97 1v27 s GLN 9 Ca 0.00 -0.51 0.08 0.00 0.02 0.00 0.00 55.36 54.94 1v27 s GLN 9 Cb 0.00 -1.23 -0.02 0.00 1.00 0.00 0.00 33.01 32.76 1v27 s GLN 9 CO 0.00 0.26 -0.24 -1.17 -2.12 0.00 0.00 175.29 172.02 1v27 s LEU 10 N -0.14 2.15 -0.22 2.90 0.20 -0.97 -1.39 118.68 121.22 1v27 s LEU 10 Ca 0.01 -0.44 -0.05 0.00 0.69 0.00 0.00 54.13 54.34 1v27 s LEU 10 Cb -0.08 -1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 44.30 1v27 s LEU 10 CO 0.00 0.32 0.00 -0.55 -0.29 0.00 0.00 176.35 175.83 1v27 s SER 11 N -0.68 4.74 -0.04 3.68 0.15 -1.00 0.23 113.70 120.78 1v27 s SER 11 Ca 0.10 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1v27 s SER 11 Cb -0.10 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1v27 s SER 11 CO -0.01 0.02 -0.08 -0.63 1.20 0.00 0.00 173.24 173.74 1v27 s ILE 12 N 1.28 0.77 -0.20 6.45 1.01 -0.93 -2.46 121.20 127.11 1v27 s ILE 12 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1v27 s ILE 12 Cb -0.15 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1v27 s ILE 12 CO 0.01 0.26 0.03 -0.75 0.00 0.00 0.00 174.94 174.48 1v27 s LYS 13 N 0.49 3.73 0.12 2.79 2.20 -0.05 -3.21 119.74 125.81 1v27 s LYS 13 Ca -0.08 -0.46 0.10 0.00 -0.36 0.00 0.00 55.97 55.17 1v27 s LYS 13 Cb -0.12 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1v27 s LYS 13 CO 0.01 0.07 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.31 1v27 s LEU 14 N 0.87 2.37 -0.23 5.43 1.43 -1.26 0.88 118.68 128.18 1v27 s LEU 14 Ca 0.02 -0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1v27 s LEU 14 Cb -0.14 -1.28 0.07 0.00 0.03 0.00 0.00 46.19 44.87 1v27 s LEU 14 CO 0.02 0.19 0.55 0.86 0.23 0.00 0.00 176.35 178.21 1v27 s TRP 15 N -1.04 -0.84 -0.27 0.29 -0.11 0.33 -2.12 118.94 115.18 1v27 s TRP 15 Ca 0.14 1.72 -0.15 0.00 1.22 0.00 0.00 56.10 59.04 1v27 s TRP 15 Cb -0.10 0.45 -0.04 0.00 -1.50 0.00 0.00 33.47 32.29 1v27 s TRP 15 CO 0.06 -0.44 0.37 0.12 -4.62 0.00 0.00 176.95 172.44 1v27 s PHE 16 N 1.51 3.24 -1.12 5.86 5.36 -1.26 0.20 117.98 131.76 1v27 s PHE 16 Ca -0.10 0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 56.14 1v27 s PHE 16 Cb -0.07 -2.57 0.23 0.00 -0.34 0.00 0.00 43.02 40.27 1v27 s PHE 16 CO -0.16 -0.24 1.21 -0.51 -1.46 0.00 0.00 175.22 174.06 1v27 s ASP 17 N 1.65 7.18 0.58 6.13 1.01 0.27 -4.80 116.67 128.69 1v27 s ASP 17 Ca 0.15 -3.27 0.39 0.00 0.71 0.00 0.00 52.55 50.52 1v27 s ASP 17 Cb -0.16 -2.29 2.06 0.00 1.01 0.00 0.00 42.92 43.54 1v27 s ASP 17 CO 0.10 -0.50 2.18 0.07 0.21 0.00 0.00 175.17 177.23 1v27 h LYS 18 N 6.99 0.00 0.00 8.23 -0.00 -1.91 1.35 116.57 131.23 1v27 h LYS 18 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.87 1v27 h LYS 18 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.12 1v27 h LYS 18 CO 1.08 0.00 0.00 0.28 -0.00 0.00 0.00 179.45 180.81 1v27 n VAL 19 N -2.89 0.00 1.42 0.07 0.31 -1.26 -3.50 118.33 112.49 1v27 n VAL 19 Ca -0.02 1.36 0.13 0.00 -0.01 0.00 0.00 64.34 65.79 1v27 n VAL 19 Cb 0.09 -2.35 0.48 0.00 -0.91 0.00 0.00 33.84 31.15 1v27 n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1v27 n GLY 20 N -0.70 0.06 3.09 2.92 0.00 -1.12 -4.93 105.19 104.51 1v27 n GLY 20 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 0.18 -2.03 -4.21 1.61 -0.00 0.44 -4.78 115.22 106.43 1v27 n HIS 21 Ca 0.18 0.80 -0.20 0.00 -0.00 0.00 0.00 57.72 58.50 1v27 n HIS 21 Cb 0.33 -4.38 -0.12 0.00 -0.00 0.00 0.00 29.99 25.82 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 -4.78 0.92 -0.30 -0.41 -0.21 0.02 0.20 119.66 115.11 1v27 s GLN 22 Ca 0.17 -1.04 -0.11 0.00 0.02 0.00 0.00 55.36 54.40 1v27 s GLN 22 Cb -0.02 -0.99 -0.03 0.00 1.00 0.00 0.00 33.01 32.96 1v27 s GLN 22 CO 0.65 0.22 0.19 -1.17 -2.12 0.00 0.00 175.29 173.05 1v27 s LEU 23 N -1.85 4.12 -0.22 2.90 2.96 0.26 0.97 118.68 127.82 1v27 s LEU 23 Ca 0.01 -0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 53.53 1v27 s LEU 23 Cb -0.10 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1v27 s LEU 23 CO 0.03 -0.12 0.43 -0.63 -1.32 0.00 0.00 176.35 174.73 1v27 s ILE 24 N 1.71 5.17 -0.24 6.68 1.09 0.53 -0.17 121.20 135.97 1v27 s ILE 24 Ca 0.06 0.74 -0.03 0.00 -1.10 0.00 0.00 60.65 60.33 1v27 s ILE 24 Cb -0.16 -3.75 0.08 0.00 -1.06 0.00 0.00 42.46 37.56 1v27 s ILE 24 CO 0.09 0.21 0.08 0.54 -0.10 0.00 0.00 174.94 175.75 1v27 s VAL 25 N 1.59 0.41 -0.32 2.92 0.11 0.18 0.12 120.40 125.41 1v27 s VAL 25 Ca 0.19 -0.75 -0.11 0.00 -2.93 0.00 0.00 61.98 58.39 1v27 s VAL 25 Cb -0.15 -1.11 -0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1v27 s VAL 25 CO 0.09 -0.43 0.19 -0.89 -3.33 0.00 0.00 175.10 170.72 1v27 s THR 26 N 1.88 4.88 -0.81 5.04 2.01 0.25 -1.50 115.64 127.39 1v27 s THR 26 Ca 0.04 -0.33 -0.26 0.00 0.31 0.00 0.00 61.69 61.45 1v27 s THR 26 Cb -0.17 -3.49 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1v27 s THR 26 CO -0.18 0.04 1.41 -0.63 -0.69 0.00 0.00 174.62 174.58 1v27 s ILE 27 N 1.66 3.73 0.00 1.82 -1.09 -1.08 -0.87 121.20 125.36 1v27 s ILE 27 Ca 0.05 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1v27 s ILE 27 Cb -0.17 -4.83 0.00 0.00 -1.58 0.00 0.00 42.46 35.88 1v27 s ILE 27 CO 0.08 -1.75 0.00 0.18 -1.23 0.00 0.00 174.94 172.22 1v27 n LEU 28 N 9.76 0.00 -3.46 2.97 4.77 -1.03 0.19 117.00 130.21 1v27 n LEU 28 Ca 0.14 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1v27 n LEU 28 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1v27 n LEU 28 CO 0.69 0.00 0.51 -0.83 -1.33 0.00 0.00 177.39 176.43 1v27 s GLY 29 N 0.00 -0.56 0.37 -0.72 0.00 -1.22 0.88 107.32 106.07 1v27 s GLY 29 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.48 1v27 s GLY 29 CO 0.00 0.28 0.56 0.00 0.00 0.00 0.00 173.10 173.93 1v27 s ALA 30 N -3.36 3.88 0.25 3.20 0.00 -0.26 -2.38 121.76 123.08 1v27 s ALA 30 Ca 0.02 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.66 1v27 s ALA 30 Cb -0.01 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.15 1v27 s ALA 30 CO -0.10 -0.14 0.59 -1.59 0.00 0.00 0.00 175.76 174.52 1v27 s LYS 31 N -4.34 1.60 -1.67 0.00 0.00 -0.48 -3.20 119.74 111.65 1v27 s LYS 31 Ca 0.44 -1.04 -0.18 0.00 0.00 0.00 0.00 55.97 55.19 1v27 s LYS 31 Cb -0.10 0.54 0.14 0.00 0.00 0.00 0.00 37.83 38.42 1v27 s LYS 31 CO 0.35 -0.70 0.84 -0.25 0.00 0.00 0.00 175.35 175.59 1v27 n ASP 32 N -0.40 -3.70 -4.81 0.03 8.00 -1.26 -2.07 116.55 112.34 1v27 n ASP 32 Ca -0.05 -0.96 -0.32 0.00 0.71 0.00 0.00 54.79 54.17 1v27 n ASP 32 Cb 0.61 -3.01 0.03 0.00 -0.02 0.00 0.00 41.12 38.73 1v27 n ASP 32 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1v27 s LEU 33 N -7.28 3.33 -0.82 0.64 1.43 -1.26 -3.83 118.68 110.89 1v27 s LEU 33 Ca 0.73 1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 55.32 1v27 s LEU 33 Cb -0.39 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.31 1v27 s LEU 33 CO 0.91 -1.31 1.63 -2.16 0.23 0.00 0.00 176.35 175.64 1v27 s PRO 34 N -4.50 3.00 0.00 1.29 0.04 -1.26 -4.90 135.00 128.66 1v27 s PRO 34 Ca 0.61 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1v27 s PRO 34 Cb -0.15 -4.75 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1v27 s PRO 34 CO 0.45 -2.61 0.00 0.45 0.04 0.00 0.00 177.00 175.33 1v27 n SER 35 N 11.21 0.00 -0.64 6.66 2.88 -1.26 -4.83 113.62 127.65 1v27 n SER 35 Ca 0.24 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.86 1v27 n SER 35 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 1v27 n SER 35 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1v27 n ARG 36 N 0.00 -1.34 -1.41 -1.46 1.74 -1.26 -5.00 116.66 107.93 1v27 n ARG 36 Ca 0.00 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 1v27 n ARG 36 Cb 0.00 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1v27 n ARG 36 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v27 n GLU 37 N -2.96 -3.98 0.00 5.56 1.02 -1.26 -4.49 120.64 114.53 1v27 n GLU 37 Ca -0.01 2.90 0.00 0.00 -0.02 0.00 0.00 57.16 60.03 1v27 n GLU 37 Cb 0.29 -3.22 0.00 0.00 -0.02 0.00 0.00 31.44 28.50 1v27 n GLU 37 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1v27 n ASP 38 N -0.08 0.00 0.00 1.62 2.03 -1.26 -4.28 116.55 114.58 1v27 n ASP 38 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1v27 n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 3.64 3.91 0.27 0.00 -1.26 -5.10 105.19 106.65 1v27 n GLY 39 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.78 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 3.09 0.00 1.61 1.81 -1.26 -4.87 118.95 119.33 1v27 s ARG 40 Ca 0.00 0.09 0.00 0.00 -1.72 0.00 0.00 55.73 54.10 1v27 s ARG 40 Cb 0.00 -2.28 0.00 0.00 -0.45 0.00 0.00 34.95 32.22 1v27 s ARG 40 CO 0.00 -0.59 0.00 -0.35 -0.68 0.00 0.00 175.30 173.68 1v27 n PRO 41 N -2.53 0.61 -2.16 3.54 -0.04 -1.26 -4.84 135.00 128.32 1v27 n PRO 41 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1v27 n PRO 41 Cb 0.57 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.33 0.27 -3.73 0.54 1.85 -1.26 -4.71 116.66 109.30 1v27 n ARG 42 Ca 0.00 -0.23 -0.34 0.00 -1.00 0.00 0.00 57.85 56.28 1v27 n ARG 42 Cb 0.00 0.17 -0.09 0.00 -1.05 0.00 0.00 32.46 31.49 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 -1.16 5.48 0.84 2.89 0.02 -1.26 0.54 114.94 122.28 1v27 s ASN 43 Ca 0.02 -3.49 -0.12 0.00 -1.02 0.00 0.00 52.86 48.26 1v27 s ASN 43 Cb 0.00 -1.83 0.09 0.00 0.02 0.00 0.00 41.25 39.54 1v27 s ASN 43 CO 0.02 -0.21 1.11 -2.16 0.02 0.00 0.00 177.10 175.87 1v27 s PRO 44 N -0.98 1.76 -0.30 -0.60 0.04 -1.26 -2.40 135.00 131.26 1v27 s PRO 44 Ca 0.24 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.64 1v27 s PRO 44 Cb -0.11 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1v27 s PRO 44 CO -0.10 -1.82 1.00 1.52 0.04 0.00 0.00 177.00 177.64 1v27 s TYR 45 N -3.20 -0.62 0.62 0.56 -0.85 -0.73 -2.28 117.35 110.85 1v27 s TYR 45 Ca 0.62 1.12 -0.13 0.00 -0.52 0.00 0.00 57.07 58.16 1v27 s TYR 45 Cb -0.14 0.37 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 1v27 s TYR 45 CO 0.54 -0.31 1.04 0.08 -1.52 0.00 0.00 175.55 175.38 1v27 s VAL 46 N 2.11 4.29 -0.16 -3.49 1.01 -1.26 -2.99 120.40 119.90 1v27 s VAL 46 Ca -0.04 0.86 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 1v27 s VAL 46 Cb -0.05 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.80 1v27 s VAL 46 CO -0.17 -0.86 0.13 -0.75 0.00 0.00 0.00 175.10 173.45 1v27 s LYS 47 N -4.76 0.08 0.15 2.72 2.20 -0.11 -3.32 119.74 116.72 1v27 s LYS 47 Ca 0.58 0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 56.14 1v27 s LYS 47 Cb -0.13 -1.48 -0.07 0.00 -1.51 0.00 0.00 37.83 34.65 1v27 s LYS 47 CO 0.48 -0.62 0.51 0.42 -0.36 0.00 0.00 175.35 175.77 1v27 s ILE 48 N 2.20 4.94 -0.30 5.43 1.01 0.20 -1.84 121.20 132.84 1v27 s ILE 48 Ca 0.04 0.61 0.04 0.00 0.00 0.00 0.00 60.65 61.33 1v27 s ILE 48 Cb -0.15 -3.68 0.17 0.00 0.01 0.00 0.00 42.46 38.81 1v27 s ILE 48 CO -0.09 0.16 0.48 -0.31 0.00 0.00 0.00 174.94 175.17 1v27 s TYR 49 N -1.56 -1.27 -0.46 3.97 2.02 -0.40 -2.15 117.35 117.51 1v27 s TYR 49 Ca 0.40 0.46 -0.27 0.00 -0.37 0.00 0.00 57.07 57.29 1v27 s TYR 49 Cb -0.14 -0.00 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1v27 s TYR 49 CO 0.20 -1.03 1.98 0.12 -1.57 0.00 0.00 175.55 175.25 1v27 s PHE 50 N 2.50 1.55 0.53 2.71 2.19 -1.08 -1.33 117.98 125.04 1v27 s PHE 50 Ca 0.11 0.87 -0.19 0.00 0.33 0.00 0.00 56.93 58.05 1v27 s PHE 50 Cb -0.11 -3.98 -0.07 0.00 -1.31 0.00 0.00 43.02 37.55 1v27 s PHE 50 CO -0.26 -2.73 1.06 -0.51 1.83 0.00 0.00 175.22 174.61 1v27 s LEU 51 N 8.91 3.73 0.00 6.12 1.43 0.53 -4.40 118.68 135.00 1v27 s LEU 51 Ca 0.81 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1v27 s LEU 51 Cb -0.19 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.48 1v27 s LEU 51 CO 0.27 -0.96 0.00 -0.81 0.23 0.00 0.00 176.35 175.08 1v27 n PRO 52 N -1.32 -0.11 0.00 1.29 -0.04 -1.26 -2.16 135.00 131.40 1v27 n PRO 52 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1v27 n PRO 52 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1v27 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1v27 n ASP 53 N -2.22 -0.40 -1.46 3.54 2.03 -1.26 -4.96 116.55 111.81 1v27 n ASP 53 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1v27 n ASP 53 Cb 0.00 0.94 0.02 0.00 -0.72 0.00 0.00 41.12 41.35 1v27 n ASP 53 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1v27 n ARG 54 N -1.07 0.00 -4.04 -0.67 1.74 -1.26 -4.68 116.66 106.67 1v27 n ARG 54 Ca 0.00 -1.96 -0.28 0.00 -0.77 0.00 0.00 57.85 54.84 1v27 n ARG 54 Cb 0.00 -0.02 -0.01 0.00 -1.02 0.00 0.00 32.46 31.41 1v27 n ARG 54 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1v27 s SER 55 N -1.96 4.54 0.62 0.55 1.04 -1.26 -5.07 113.70 112.15 1v27 s SER 55 Ca 0.33 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1v27 s SER 55 Cb 0.38 0.55 0.00 0.00 0.10 0.00 0.00 66.02 67.05 1v27 s SER 55 CO -0.16 -1.12 0.00 -0.90 0.98 0.00 0.00 173.24 172.03 1v27 n ASP 56 N -1.72 -1.23 0.00 7.02 5.68 -1.26 -3.66 116.55 121.37 1v27 n ASP 56 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1v27 n ASP 56 Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1v27 n ASP 56 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1v27 n LYS 57 N -1.23 0.00 -0.91 0.11 4.76 -1.26 -3.86 118.16 115.77 1v27 n LYS 57 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1v27 n LYS 57 Cb 0.00 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 33.29 1v27 n LYS 57 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1v27 n ASN 58 N 2.81 4.71 -4.11 4.39 3.02 -1.25 -4.84 115.26 119.99 1v27 n ASN 58 Ca 0.00 -3.17 -0.27 0.00 -0.03 0.00 0.00 54.58 51.11 1v27 n ASN 58 Cb 0.00 -0.83 -0.16 0.00 -0.61 0.00 0.00 39.78 38.17 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 -2.34 1.96 -0.09 3.52 2.20 -1.24 -2.63 119.74 121.11 1v27 s LYS 59 Ca 0.40 -0.59 -0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1v27 s LYS 59 Cb 0.33 -1.62 0.02 0.00 -1.51 0.00 0.00 37.83 35.05 1v27 s LYS 59 CO 0.05 0.16 -0.05 1.03 -0.36 0.00 0.00 175.35 176.18 1v27 s ARG 60 N 0.28 1.18 -0.03 4.03 1.81 -0.92 -4.97 118.95 120.35 1v27 s ARG 60 Ca -0.10 -0.14 0.05 0.00 -1.72 0.00 0.00 55.73 53.82 1v27 s ARG 60 Cb -0.14 -1.28 -0.01 0.00 -0.45 0.00 0.00 34.95 33.07 1v27 s ARG 60 CO 0.04 -0.22 -0.19 0.50 -0.68 0.00 0.00 175.30 174.75 1v27 s ARG 61 N 1.56 1.75 0.75 3.54 3.52 -1.26 0.61 118.95 129.42 1v27 s ARG 61 Ca 0.01 -0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 54.82 1v27 s ARG 61 Cb -0.13 -1.60 0.06 0.00 -1.56 0.00 0.00 34.95 31.72 1v27 s ARG 61 CO -0.05 0.35 1.11 0.95 -0.81 0.00 0.00 175.30 176.85 1v27 s THR 62 N -0.24 2.48 0.47 4.11 -4.23 -1.21 -5.02 115.64 112.01 1v27 s THR 62 Ca 0.02 0.05 -0.24 0.00 -1.18 0.00 0.00 61.69 60.35 1v27 s THR 62 Cb -0.10 -3.13 -0.07 0.00 1.34 0.00 0.00 72.50 70.54 1v27 s THR 62 CO 0.01 -0.17 1.29 -1.59 -0.54 0.00 0.00 174.62 173.62 1v27 s LYS 63 N -5.43 3.61 -0.35 3.99 -2.85 -1.26 -4.73 119.74 112.72 1v27 s LYS 63 Ca 0.60 2.10 -0.28 0.00 -1.00 0.00 0.00 55.97 57.39 1v27 s LYS 63 Cb -0.11 -2.48 0.02 0.00 -2.06 0.00 0.00 37.83 33.20 1v27 s LYS 63 CO 0.49 -0.77 1.05 0.99 0.10 0.00 0.00 175.35 177.20 1v27 s THR 64 N -1.35 4.49 1.12 3.79 2.01 -1.26 -4.81 115.64 119.63 1v27 s THR 64 Ca 0.64 1.55 -0.17 0.00 0.31 0.00 0.00 61.69 64.03 1v27 s THR 64 Cb -0.37 -4.42 0.25 0.00 0.01 0.00 0.00 72.50 67.97 1v27 s THR 64 CO 0.45 -0.55 1.11 -0.69 -0.69 0.00 0.00 174.62 174.25 1v27 s VAL 65 N 3.70 1.76 -0.08 3.82 1.01 -0.97 -4.99 120.40 124.66 1v27 s VAL 65 Ca 0.44 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1v27 s VAL 65 Cb -0.11 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1v27 s VAL 65 CO 0.18 0.00 -0.14 -0.54 0.00 0.00 0.00 175.10 174.60 1v27 s LYS 66 N -5.28 2.00 -0.09 2.72 -0.14 -1.26 -4.26 119.74 113.43 1v27 s LYS 66 Ca 0.69 -0.50 -0.08 0.00 -1.36 0.00 0.00 55.97 54.72 1v27 s LYS 66 Cb -0.13 -1.66 0.01 0.00 -1.68 0.00 0.00 37.83 34.38 1v27 s LYS 66 CO 0.56 0.01 0.13 0.36 -0.76 0.00 0.00 175.35 175.65 1v27 n LYS 67 N 3.93 -0.41 -3.64 1.68 2.85 0.19 -4.86 118.16 117.90 1v27 n LYS 67 Ca -0.21 0.39 -0.05 0.00 -1.05 0.00 0.00 58.31 57.40 1v27 n LYS 67 Cb 0.52 -0.53 -0.06 0.00 -0.65 0.00 0.00 35.03 34.31 1v27 n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1v27 s THR 68 N -0.43 -0.32 -0.23 0.58 -1.32 0.13 -4.69 115.64 109.36 1v27 s THR 68 Ca 0.08 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.73 1v27 s THR 68 Cb -0.01 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.09 1v27 s THR 68 CO 0.17 0.00 1.39 -0.07 -2.21 0.00 0.00 174.62 173.90 1v27 h LEU 69 N 7.26 0.00 -7.19 9.08 3.38 -1.92 -3.39 115.31 122.53 1v27 h LEU 69 Ca -0.26 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.08 1v27 h LEU 69 Cb 1.18 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.52 1v27 h LEU 69 CO 0.14 0.35 -0.60 -1.61 0.09 0.00 0.00 178.44 176.81 1v27 s GLU 70 N -3.05 2.26 0.11 1.13 2.02 -1.26 -4.12 118.70 115.79 1v27 s GLU 70 Ca 0.04 -3.05 -0.30 0.00 0.02 0.00 0.00 54.97 51.67 1v27 s GLU 70 Cb 0.07 -3.36 -0.06 0.00 0.10 0.00 0.00 34.13 30.87 1v27 s GLU 70 CO 0.74 -1.22 1.14 -1.25 0.02 0.00 0.00 175.26 174.69 1v27 s PRO 71 N -0.99 4.51 -0.34 0.39 0.04 -1.19 -4.83 135.00 132.59 1v27 s PRO 71 Ca 0.22 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1v27 s PRO 71 Cb -0.13 -3.32 0.09 0.00 0.04 0.00 0.00 34.50 31.18 1v27 s PRO 71 CO -0.10 -0.09 0.07 0.15 0.04 0.00 0.00 177.00 177.06 1v27 s LYS 72 N 0.36 1.84 -0.25 4.56 1.02 -1.26 -1.10 119.74 124.91 1v27 s LYS 72 Ca 0.54 -1.72 -0.10 0.00 0.02 0.00 0.00 55.97 54.71 1v27 s LYS 72 Cb -0.29 -3.27 -0.16 0.00 -0.52 0.00 0.00 37.83 33.59 1v27 s LYS 72 CO 0.32 -0.89 -0.16 0.91 -0.92 0.00 0.00 175.35 174.61 1v27 n TRP 73 N 4.42 0.29 -4.14 3.18 8.01 0.24 -4.95 117.44 124.48 1v27 n TRP 73 Ca -0.02 0.10 -0.35 0.00 -1.31 0.00 0.00 57.50 55.92 1v27 n TRP 73 Cb 0.42 -1.03 -0.06 0.00 -2.01 0.00 0.00 31.31 28.62 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 -3.91 -1.69 -3.79 -0.99 4.13 0.51 -4.88 115.26 104.63 1v27 n ASN 74 Ca -0.46 -0.91 -0.22 0.00 1.68 0.00 0.00 54.58 54.67 1v27 n ASN 74 Cb 0.90 -1.50 0.14 0.00 -1.54 0.00 0.00 39.78 37.78 1v27 n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1v27 n GLN 75 N -3.76 -0.58 -4.29 3.52 1.13 -0.93 -4.85 117.38 107.63 1v27 n GLN 75 Ca 0.10 -1.92 -0.19 0.00 -1.94 0.00 0.00 57.00 53.04 1v27 n GLN 75 Cb 0.46 -0.86 -0.13 0.00 0.11 0.00 0.00 30.24 29.82 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 -2.98 0.99 -0.20 5.09 2.01 -1.26 -2.64 115.64 116.66 1v27 s THR 76 Ca 0.58 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1v27 s THR 76 Cb -0.02 -0.92 0.10 0.00 0.01 0.00 0.00 72.50 71.67 1v27 s THR 76 CO 0.40 -0.06 0.30 -0.36 -0.69 0.00 0.00 174.62 174.21 1v27 s PHE 77 N -0.90 -0.53 -0.15 4.92 0.08 -0.57 -4.95 117.98 115.88 1v27 s PHE 77 Ca -0.00 0.72 -0.11 0.00 0.12 0.00 0.00 56.93 57.66 1v27 s PHE 77 Cb -0.08 -0.10 -0.05 0.00 -0.57 0.00 0.00 43.02 42.22 1v27 s PHE 77 CO 0.01 -0.57 0.21 0.42 -0.10 0.00 0.00 175.22 175.20 1v27 s ILE 78 N 2.44 5.36 -0.22 0.64 1.01 -1.26 -0.65 121.20 128.54 1v27 s ILE 78 Ca 0.07 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.10 1v27 s ILE 78 Cb -0.14 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 38.85 1v27 s ILE 78 CO -0.12 0.48 -0.07 -0.31 0.00 0.00 0.00 174.94 174.92 1v27 s TYR 79 N -0.05 2.30 0.10 3.97 2.02 0.76 -4.89 117.35 121.56 1v27 s TYR 79 Ca 0.14 -1.62 -0.07 0.00 -0.37 0.00 0.00 57.07 55.14 1v27 s TYR 79 Cb -0.12 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 1v27 s TYR 79 CO 0.03 -0.75 0.17 -1.54 -1.57 0.00 0.00 175.55 171.89 1v27 s SER 80 N 1.43 0.16 0.33 2.29 1.04 -1.26 0.93 113.70 118.61 1v27 s SER 80 Ca -0.04 -0.75 -0.27 0.00 0.48 0.00 0.00 55.95 55.37 1v27 s SER 80 Cb -0.18 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.19 1v27 s SER 80 CO -0.07 -0.74 1.07 -2.16 0.98 0.00 0.00 173.24 172.32 1v27 s PRO 81 N -3.89 4.46 -0.25 4.02 0.04 -1.26 -5.06 135.00 133.05 1v27 s PRO 81 Ca 0.08 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1v27 s PRO 81 Cb 0.05 -2.93 0.08 0.00 0.04 0.00 0.00 34.50 31.74 1v27 s PRO 81 CO -0.09 0.08 0.07 0.08 0.04 0.00 0.00 177.00 177.19 1v27 s VAL 82 N -1.36 0.57 0.09 -0.36 1.01 0.54 -4.97 120.40 115.90 1v27 s VAL 82 Ca 0.50 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1v27 s VAL 82 Cb -0.28 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1v27 s VAL 82 CO 0.35 -0.47 0.25 -1.00 0.00 0.00 0.00 175.10 174.23 1v27 s HIS 83 N 1.80 3.51 -0.53 5.22 3.76 -1.26 -3.87 115.29 123.93 1v27 s HIS 83 Ca 0.05 0.28 0.15 0.00 -0.15 0.00 0.00 55.06 55.39 1v27 s HIS 83 Cb -0.17 -1.79 0.77 0.00 1.11 0.00 0.00 32.58 32.50 1v27 s HIS 83 CO -0.19 0.55 1.46 -2.13 -0.85 0.00 0.00 174.74 173.58 1v27 n ARG 84 N 0.14 0.10 0.00 1.40 3.00 -1.26 0.32 116.66 120.36 1v27 n ARG 84 Ca -0.05 0.54 0.12 0.00 -0.00 0.00 0.00 57.85 58.47 1v27 n ARG 84 Cb 0.51 -1.78 0.22 0.00 0.00 0.00 0.00 32.46 31.42 1v27 n ARG 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1v27 n ARG 85 N -1.98 1.66 -0.07 -0.14 -4.01 -1.26 -4.01 116.66 106.84 1v27 n ARG 85 Ca -0.00 -1.24 -0.10 0.00 -1.04 0.00 0.00 57.85 55.47 1v27 n ARG 85 Cb 0.06 -1.47 -0.15 0.00 -3.04 0.00 0.00 32.46 27.85 1v27 n ARG 85 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1v27 n GLU 86 N 0.41 0.67 -0.54 2.89 -0.58 0.15 -4.27 120.64 119.37 1v27 n GLU 86 Ca 0.14 0.10 0.44 0.00 -0.42 0.00 0.00 57.16 57.42 1v27 n GLU 86 Cb 0.47 -1.62 0.71 0.00 -0.57 0.00 0.00 31.44 30.43 1v27 n GLU 86 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1v27 n PHE 87 N -2.88 0.43 -2.07 -0.32 3.01 -1.12 -3.43 117.46 111.08 1v27 n PHE 87 Ca -0.28 0.44 -0.42 0.00 1.01 0.00 0.00 57.45 58.20 1v27 n PHE 87 Cb 1.12 -0.89 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1v27 n PHE 87 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1v27 s ARG 88 N -5.05 4.26 0.00 -1.08 3.52 -1.26 -2.87 118.95 116.47 1v27 s ARG 88 Ca -0.06 2.18 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 1v27 s ARG 88 Cb 0.29 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1v27 s ARG 88 CO 0.82 -0.58 0.00 0.39 -0.81 0.00 0.00 175.30 175.12 1v27 n GLU 89 N 4.68 0.00 -2.75 5.12 1.02 -1.26 -4.90 120.64 122.54 1v27 n GLU 89 Ca 0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 1v27 n GLU 89 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.80 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 0.00 3.46 0.29 3.49 0.52 -1.14 -4.55 118.95 121.02 1v27 s ARG 90 Ca 0.00 0.04 0.11 0.00 -0.52 0.00 0.00 55.73 55.37 1v27 s ARG 90 Cb 0.00 -4.00 -0.05 0.00 0.52 0.00 0.00 34.95 31.42 1v27 s ARG 90 CO 0.00 -1.45 -0.17 0.00 0.02 0.00 0.00 175.30 173.70 1v27 s MET 91 N 4.17 1.74 0.14 3.54 0.23 -0.92 -4.00 119.30 124.21 1v27 s MET 91 Ca 0.37 -1.79 -0.08 0.00 -1.03 0.00 0.00 55.69 53.15 1v27 s MET 91 Cb -0.10 -1.77 -0.06 0.00 -1.53 0.00 0.00 34.83 31.36 1v27 s MET 91 CO 0.24 0.29 0.44 -0.51 -2.03 0.00 0.00 175.02 173.45 1v27 s LEU 92 N -3.54 4.27 -0.30 0.18 1.43 -0.31 0.20 118.68 120.61 1v27 s LEU 92 Ca 0.31 0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 54.17 1v27 s LEU 92 Cb -0.03 -3.30 0.10 0.00 0.03 0.00 0.00 46.19 42.99 1v27 s LEU 92 CO 0.16 0.06 0.10 -0.70 0.23 0.00 0.00 176.35 176.20 1v27 s GLU 93 N -2.41 0.58 -0.12 1.70 -6.30 -0.44 -2.42 118.70 109.29 1v27 s GLU 93 Ca 0.40 -0.92 -0.02 0.00 -2.50 0.00 0.00 54.97 51.92 1v27 s GLU 93 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 34.13 32.19 1v27 s GLU 93 CO 0.21 -0.99 -0.03 0.42 0.02 0.00 0.00 175.26 174.89 1v27 s ILE 94 N 1.74 3.99 0.01 -3.70 1.09 0.18 -1.27 121.20 123.24 1v27 s ILE 94 Ca 0.09 -0.34 0.01 0.00 -1.10 0.00 0.00 60.65 59.31 1v27 s ILE 94 Cb -0.17 -2.71 -0.01 0.00 -1.06 0.00 0.00 42.46 38.51 1v27 s ILE 94 CO -0.28 0.54 -0.03 0.42 -0.10 0.00 0.00 174.94 175.49 1v27 s THR 95 N -0.21 0.20 -0.13 2.92 -4.23 -0.77 0.21 115.64 113.63 1v27 s THR 95 Ca 0.04 -0.55 -0.02 0.00 -1.18 0.00 0.00 61.69 59.99 1v27 s THR 95 Cb -0.13 -0.26 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1v27 s THR 95 CO 0.02 -0.22 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.58 1v27 s LEU 96 N -0.81 3.02 0.17 4.79 2.96 0.36 -0.93 118.68 128.24 1v27 s LEU 96 Ca -0.07 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1v27 s LEU 96 Cb -0.06 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1v27 s LEU 96 CO -0.00 0.19 0.09 0.26 -1.32 0.00 0.00 176.35 175.57 1v27 s TRP 97 N 0.19 1.05 -0.23 5.38 0.52 -1.16 0.98 118.94 125.67 1v27 s TRP 97 Ca -0.05 -1.29 0.01 0.00 0.02 0.00 0.00 56.10 54.79 1v27 s TRP 97 Cb -0.14 -0.55 0.04 0.00 -1.15 0.00 0.00 33.47 31.67 1v27 s TRP 97 CO 0.04 -0.56 -0.12 0.34 0.02 0.00 0.00 176.95 176.67 1v27 s ASP 98 N -3.12 3.98 -0.99 2.95 2.15 -1.26 -1.78 116.67 118.60 1v27 s ASP 98 Ca 0.32 -1.00 -0.26 0.00 0.43 0.00 0.00 52.55 52.04 1v27 s ASP 98 Cb 0.07 -1.56 -0.21 0.00 -0.30 0.00 0.00 42.92 40.92 1v27 s ASP 98 CO 0.07 -0.11 2.15 0.00 -0.17 0.00 0.00 175.17 177.12 1v27 n GLN 99 N 4.56 0.19 0.00 4.34 10.64 -1.01 -4.47 117.38 131.64 1v27 n GLN 99 Ca -0.17 -1.44 0.00 0.00 -1.83 0.00 0.00 57.00 53.56 1v27 n GLN 99 Cb 0.46 -3.78 0.00 0.00 -0.86 0.00 0.00 30.24 26.06 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1v27 n ALA 100 N 19.18 0.00 -1.42 2.61 0.00 -1.26 -4.81 120.51 134.81 1v27 n ALA 100 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 1v27 n ALA 100 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.98 1v27 n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1v27 s ARG 101 N -0.04 2.62 0.48 0.00 1.81 -1.25 -5.05 118.95 117.52 1v27 s ARG 101 Ca 0.00 1.08 -0.08 0.00 -1.72 0.00 0.00 55.73 55.01 1v27 s ARG 101 Cb 0.00 -1.95 0.12 0.00 -0.45 0.00 0.00 34.95 32.67 1v27 s ARG 101 CO 0.00 -1.36 0.48 1.33 -0.68 0.00 0.00 175.30 175.08 1v27 n VAL 102 N -3.27 0.00 -1.74 3.52 0.24 -1.26 -4.81 118.33 111.02 1v27 n VAL 102 Ca 0.08 -0.26 0.06 0.00 -2.04 0.00 0.00 64.34 62.19 1v27 n VAL 102 Cb 0.53 -1.29 -0.02 0.00 -1.47 0.00 0.00 33.84 31.59 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 -2.69 -0.95 -3.12 7.34 1.74 -1.26 -4.11 116.66 113.62 1v27 n ARG 103 Ca 0.06 0.63 -0.45 0.00 -0.77 0.00 0.00 57.85 57.33 1v27 n ARG 103 Cb 0.24 -1.16 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 1v27 n ARG 103 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1v27 s GLU 104 N -0.96 3.94 0.00 5.56 2.02 -1.26 -4.92 118.70 123.08 1v27 s GLU 104 Ca 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 54.97 52.42 1v27 s GLU 104 Cb 0.00 -4.78 0.00 0.00 0.10 0.00 0.00 34.13 29.45 1v27 s GLU 104 CO 0.00 -1.54 0.00 0.39 0.02 0.00 0.00 175.26 174.13 1v27 n GLU 105 N 4.73 -1.48 -3.00 1.61 1.02 -1.26 -5.09 120.64 117.17 1v27 n GLU 105 Ca 0.27 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1v27 n GLU 105 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.87 1v27 n GLU 105 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v27 n GLU 106 N -0.03 -2.33 -4.53 3.49 -0.58 -1.26 -4.54 120.64 110.86 1v27 n GLU 106 Ca 0.00 1.99 -0.31 0.00 -0.42 0.00 0.00 57.16 58.42 1v27 n GLU 106 Cb 0.00 -4.49 -0.11 0.00 -0.57 0.00 0.00 31.44 26.27 1v27 n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1v27 s SER 107 N -2.08 4.20 -0.10 1.62 1.04 -1.26 -3.94 113.70 113.18 1v27 s SER 107 Ca 0.22 -0.31 0.20 0.00 0.48 0.00 0.00 55.95 56.54 1v27 s SER 107 Cb -0.05 -0.83 -0.29 0.00 0.10 0.00 0.00 66.02 64.96 1v27 s SER 107 CO 0.75 0.26 0.29 -1.84 0.98 0.00 0.00 173.24 173.67 1v27 n GLU 108 N 1.45 0.70 -2.26 4.02 -0.00 -1.26 -5.07 120.64 118.22 1v27 n GLU 108 Ca -0.15 -0.11 0.00 0.00 -0.00 0.00 0.00 57.16 56.89 1v27 n GLU 108 Cb 0.52 -1.51 0.00 0.00 -0.00 0.00 0.00 31.44 30.46 1v27 n GLU 108 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1v27 n PHE 109 N -2.46 -4.00 0.10 -1.84 7.35 -1.26 -4.77 117.46 110.58 1v27 n PHE 109 Ca -0.17 2.38 -0.21 0.00 -0.76 0.00 0.00 57.45 58.69 1v27 n PHE 109 Cb 0.82 -3.30 -0.15 0.00 0.35 0.00 0.00 39.48 37.20 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 0.62 0.00 -2.13 3.38 0.30 -3.44 115.31 118.30 1v27 h LEU 110 Ca 0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1v27 h LEU 110 Cb 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1v27 h LEU 110 CO 0.00 1.62 0.00 0.61 0.09 0.00 0.00 178.44 180.76 1v27 n GLY 111 N 1.72 0.15 3.00 0.83 0.00 -0.66 -4.23 105.19 105.99 1v27 n GLY 111 Ca -0.18 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.00 1.13 -0.25 1.61 -1.05 -1.11 -0.48 118.70 116.55 1v27 s GLU 112 Ca 0.00 -0.31 0.02 0.00 -0.15 0.00 0.00 54.97 54.53 1v27 s GLU 112 Cb 0.00 -1.02 0.06 0.00 -0.44 0.00 0.00 34.13 32.73 1v27 s GLU 112 CO 0.00 0.07 -0.08 0.42 0.95 0.00 0.00 175.26 176.62 1v27 s ILE 113 N 0.39 1.87 -0.10 1.83 1.01 0.57 -3.14 121.20 123.64 1v27 s ILE 113 Ca -0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 60.65 59.09 1v27 s ILE 113 Cb -0.11 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1v27 s ILE 113 CO 0.01 -0.08 0.03 -0.76 0.00 0.00 0.00 174.94 174.15 1v27 s LEU 114 N 1.23 3.74 -0.04 2.97 2.01 -1.26 -0.65 118.68 126.69 1v27 s LEU 114 Ca -0.07 0.19 -0.00 0.00 0.01 0.00 0.00 54.13 54.26 1v27 s LEU 114 Cb -0.19 -1.88 0.03 0.00 0.01 0.00 0.00 46.19 44.15 1v27 s LEU 114 CO -0.06 0.36 -0.00 -0.63 1.01 0.00 0.00 176.35 177.03 1v27 s ILE 115 N -0.75 0.27 -0.27 -0.59 1.09 -1.02 -5.01 121.20 114.93 1v27 s ILE 115 Ca 0.12 0.08 -0.23 0.00 -1.10 0.00 0.00 60.65 59.52 1v27 s ILE 115 Cb -0.12 -0.38 -0.01 0.00 -1.06 0.00 0.00 42.46 40.89 1v27 s ILE 115 CO 0.02 0.19 0.74 -1.61 -0.10 0.00 0.00 174.94 174.19 1v27 s GLU 116 N 1.30 4.06 0.45 2.79 2.02 -1.26 -1.16 118.70 126.91 1v27 s GLU 116 Ca -0.06 0.66 0.17 0.00 0.02 0.00 0.00 54.97 55.76 1v27 s GLU 116 Cb -0.13 -3.68 1.12 0.00 0.10 0.00 0.00 34.13 31.53 1v27 s GLU 116 CO -0.02 -0.55 1.97 -0.07 0.02 0.00 0.00 175.26 176.60 1v27 h LEU 117 N 9.21 0.29 -0.35 1.80 3.38 -1.74 1.33 115.31 129.25 1v27 h LEU 117 Ca -0.25 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1v27 h LEU 117 Cb 1.10 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 1v27 h LEU 117 CO 0.84 0.17 0.06 -0.08 0.09 0.00 0.00 178.44 179.52 1v27 h GLU 118 N 0.32 0.17 -0.33 1.13 4.81 -1.81 -2.35 114.58 116.51 1v27 h GLU 118 Ca 0.29 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1v27 h GLU 118 Cb 0.72 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1v27 h GLU 118 CO -0.07 0.11 0.00 0.25 -0.73 0.00 0.00 179.01 178.57 1v27 n THR 119 N -5.10 2.44 -1.33 0.32 -2.24 -0.24 -5.01 114.28 103.12 1v27 n THR 119 Ca 0.01 -2.23 -0.29 0.00 -2.27 0.00 0.00 64.05 59.27 1v27 n THR 119 Cb 0.16 -0.29 0.14 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.02 1.59 -0.19 6.98 0.00 0.44 -4.86 121.76 122.69 1v27 s ALA 120 Ca 0.44 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1v27 s ALA 120 Cb 0.37 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 20.41 1v27 s ALA 120 CO 0.05 -2.33 -0.11 -0.48 0.00 0.00 0.00 175.76 172.90 1v27 s LEU 121 N -6.15 2.24 -0.31 0.00 0.05 -1.26 -5.00 118.68 108.24 1v27 s LEU 121 Ca 0.63 -0.86 0.02 0.00 0.05 0.00 0.00 54.13 53.98 1v27 s LEU 121 Cb -0.17 -1.23 0.09 0.00 -2.05 0.00 0.00 46.19 42.83 1v27 s LEU 121 CO 0.56 -0.14 0.05 -0.76 -0.55 0.00 0.00 176.35 175.51 1v27 s LEU 122 N 1.40 3.51 0.00 1.48 2.01 -1.26 -4.39 118.68 121.44 1v27 s LEU 122 Ca -0.01 -1.82 0.03 0.00 0.01 0.00 0.00 54.13 52.34 1v27 s LEU 122 Cb -0.16 -1.28 0.04 0.00 0.01 0.00 0.00 46.19 44.80 1v27 s LEU 122 CO -0.08 -0.37 0.92 -0.67 1.01 0.00 0.00 176.35 177.15 1v27 n ASP 123 N 4.53 -0.57 -3.76 2.29 -0.08 -1.05 -4.23 116.55 113.68 1v27 n ASP 123 Ca -0.01 -1.80 -0.25 0.00 -1.51 0.00 0.00 54.79 51.22 1v27 n ASP 123 Cb 0.42 0.17 0.04 0.00 2.34 0.00 0.00 41.12 44.09 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 0.05 -3.66 -4.12 1.67 -0.08 -0.90 -4.97 116.55 104.54 1v27 n ASP 124 Ca -0.18 -0.74 -0.32 0.00 -1.51 0.00 0.00 54.79 52.03 1v27 n ASP 124 Cb 0.71 -4.22 -0.16 0.00 2.34 0.00 0.00 41.12 39.79 1v27 n ASP 124 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1v27 s GLU 125 N -6.27 2.87 -0.07 -0.67 2.02 -1.26 -5.00 118.70 110.31 1v27 s GLU 125 Ca 0.39 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.29 1v27 s GLU 125 Cb -0.19 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.58 1v27 s GLU 125 CO 0.80 -0.14 1.23 -1.25 0.02 0.00 0.00 175.26 175.92 1v27 s PRO 126 N 1.15 4.32 0.04 0.39 0.04 -1.26 -4.36 135.00 135.32 1v27 s PRO 126 Ca 0.01 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.82 1v27 s PRO 126 Cb -0.14 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 1v27 s PRO 126 CO -0.09 -0.51 -0.22 -1.01 0.04 0.00 0.00 177.00 175.21 1v27 s HIS 127 N 2.51 1.93 -0.48 0.56 3.76 -1.20 -4.99 115.29 117.39 1v27 s HIS 127 Ca 0.56 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.93 1v27 s HIS 127 Cb -0.25 -1.15 0.07 0.00 1.11 0.00 0.00 32.58 32.37 1v27 s HIS 127 CO 0.21 0.10 0.44 -1.58 -0.85 0.00 0.00 174.74 173.06 1v27 s TRP 128 N -0.80 3.21 -0.23 1.40 0.52 -1.26 -2.19 118.94 119.58 1v27 s TRP 128 Ca 0.08 -0.88 -0.18 0.00 0.02 0.00 0.00 56.10 55.14 1v27 s TRP 128 Cb -0.09 -3.26 -0.03 0.00 -1.15 0.00 0.00 33.47 28.94 1v27 s TRP 128 CO 0.02 -0.85 0.51 0.71 0.02 0.00 0.00 176.95 177.36 1v27 s TYR 129 N 1.81 3.31 0.44 -1.98 2.02 0.13 -4.84 117.35 118.24 1v27 s TYR 129 Ca 0.06 0.69 -0.26 0.00 -0.37 0.00 0.00 57.07 57.19 1v27 s TYR 129 Cb -0.24 -2.69 -0.09 0.00 -0.40 0.00 0.00 41.96 38.54 1v27 s TYR 129 CO 0.07 -0.20 1.42 0.15 -1.57 0.00 0.00 175.55 175.42 1v27 s LYS 130 N 2.01 3.76 -0.01 -0.62 1.02 -1.26 -2.29 119.74 122.35 1v27 s LYS 130 Ca 0.22 2.40 -0.16 0.00 0.02 0.00 0.00 55.97 58.45 1v27 s LYS 130 Cb -0.15 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.40 1v27 s LYS 130 CO 0.09 -0.75 0.46 -0.51 -0.92 0.00 0.00 175.35 173.72 1v27 s LEU 131 N -2.62 4.45 -0.20 3.17 1.43 -1.06 -4.85 118.68 119.00 1v27 s LEU 131 Ca 0.60 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1v27 s LEU 131 Cb -0.43 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.15 1v27 s LEU 131 CO 0.56 0.25 -0.16 0.00 0.23 0.00 0.00 176.35 177.23 1v27 s GLN 132 N -0.73 2.64 -0.49 1.70 -2.07 -1.19 -4.74 119.66 114.78 1v27 s GLN 132 Ca 0.25 -0.94 -0.19 0.00 -1.82 0.00 0.00 55.36 52.66 1v27 s GLN 132 Cb -0.17 -2.60 0.05 0.00 -1.09 0.00 0.00 33.01 29.20 1v27 s GLN 132 CO 0.14 -0.33 0.61 0.95 -1.32 0.00 0.00 175.29 175.34 1v27 s THR 133 N 1.27 4.89 0.11 3.63 -4.23 -1.26 -2.74 115.64 117.30 1v27 s THR 133 Ca 0.01 -0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1v27 s THR 133 Cb -0.15 -4.26 -0.02 0.00 1.34 0.00 0.00 72.50 69.41 1v27 s THR 133 CO -0.10 -0.74 0.15 -2.28 -0.54 0.00 0.00 174.62 171.10 1v27 s HIS 134 N 2.61 0.39 0.19 3.99 5.04 -1.26 -5.05 115.29 121.20 1v27 s HIS 134 Ca 0.16 -0.82 -0.20 0.00 -1.54 0.00 0.00 55.06 52.66 1v27 s HIS 134 Cb -0.18 -0.19 0.15 0.00 0.04 0.00 0.00 32.58 32.39 1v27 s HIS 134 CO 0.13 -0.55 1.59 0.22 -2.34 0.00 0.00 174.74 173.79 1v27 h ASP 135 N 2.80 -1.12 -3.76 9.88 3.58 -2.06 -3.45 116.42 122.30 1v27 h ASP 135 Ca -0.34 0.23 0.29 0.00 0.42 0.00 0.00 57.03 57.64 1v27 h ASP 135 Cb 1.19 0.57 -0.23 0.00 1.72 0.00 0.00 39.33 42.59 1v27 h ASP 135 CO 0.57 -0.30 0.95 -0.55 -2.88 0.00 0.00 179.24 177.04 1v27 s SER 136 N -5.18 -0.03 0.46 2.28 0.15 -1.26 -5.18 113.70 104.93 1v27 s SER 136 Ca -0.14 0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.58 1v27 s SER 136 Cb 0.17 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.53 1v27 s SER 136 CO 0.70 -0.05 0.63 -0.83 1.20 0.00 0.00 173.24 174.89 1v27 s GLY 137 N -1.71 1.91 0.78 9.45 0.00 -1.26 -5.10 107.32 111.39 1v27 s GLY 137 Ca 0.11 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 1v27 s GLY 137 CO -0.04 -1.38 1.09 2.56 0.00 0.00 0.00 173.10 175.33 1v27 s PRO 138 N -4.46 2.21 -0.03 2.90 0.04 -1.26 -5.08 135.00 129.32 1v27 s PRO 138 Ca 0.56 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.28 1v27 s PRO 138 Cb -0.10 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1v27 s PRO 138 CO 0.35 -1.54 0.07 -1.12 0.04 0.00 0.00 177.00 174.79 1v27 s SER 139 N -3.88 -0.02 0.29 6.66 0.01 -1.26 -5.16 113.70 110.33 1v27 s SER 139 Ca 0.60 0.13 0.10 0.00 1.31 0.00 0.00 55.95 58.09 1v27 s SER 139 Cb -0.14 0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1v27 s SER 139 CO 0.54 -0.09 -0.01 -0.55 0.41 0.00 0.00 173.24 173.55 1v27 s SER 140 N 0.68 4.40 0.00 2.44 0.15 -1.26 -5.27 113.70 114.85 1v27 s SER 140 Ca -0.05 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1v27 s SER 140 Cb -0.08 -0.73 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1v27 s SER 140 CO -0.02 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.97