#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 -0.38 -0.23 1.61 0.15 -1.26 -5.18 113.70 108.40 1v27 s SER 2 Ca 0.00 0.37 -0.31 0.00 0.70 0.00 0.00 55.95 56.71 1v27 s SER 2 Cb 0.00 0.32 0.16 0.00 -1.71 0.00 0.00 66.02 64.79 1v27 s SER 2 CO 0.00 -0.39 1.24 -0.94 1.20 0.00 0.00 173.24 174.35 1v27 s SER 3 N -1.28 -0.14 0.20 5.45 1.04 -1.26 -5.18 113.70 112.54 1v27 s SER 3 Ca -0.01 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.56 1v27 s SER 3 Cb -0.00 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.19 1v27 s SER 3 CO 0.01 -0.16 -0.02 -0.83 0.98 0.00 0.00 173.24 173.22 1v27 s GLY 4 N -1.38 1.38 -0.15 7.32 0.00 -1.26 -5.08 107.32 108.15 1v27 s GLY 4 Ca 0.07 -1.67 -0.34 0.00 0.00 0.00 0.00 44.72 42.77 1v27 s GLY 4 CO -0.05 -1.62 1.29 -0.56 0.00 0.00 0.00 173.10 172.17 1v27 s SER 5 N -3.25 -0.07 0.55 1.64 0.01 -1.26 -5.15 113.70 106.17 1v27 s SER 5 Ca 0.25 -0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.50 1v27 s SER 5 Cb 0.05 0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.43 1v27 s SER 5 CO 0.06 -0.18 0.77 -0.94 0.41 0.00 0.00 173.24 173.36 1v27 s SER 6 N -2.46 5.22 0.10 2.44 1.04 -1.26 -4.78 113.70 113.99 1v27 s SER 6 Ca 0.12 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 1v27 s SER 6 Cb 0.02 -0.67 -0.06 0.00 0.10 0.00 0.00 66.02 65.41 1v27 s SER 6 CO -0.04 -1.18 0.46 -0.83 0.98 0.00 0.00 173.24 172.63 1v27 s GLY 7 N -4.46 2.40 0.00 7.32 0.00 -1.26 -4.81 107.32 106.51 1v27 s GLY 7 Ca 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1v27 s GLY 7 CO 0.38 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 174.08 1v27 n GLY 8 N 0.95 1.30 3.01 0.20 0.00 -1.26 -4.54 105.19 104.86 1v27 n GLY 8 Ca -0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 4.36 0.17 -0.04 1.61 -0.21 -1.08 -1.02 119.66 123.45 1v27 s GLN 9 Ca 0.00 0.51 0.07 0.00 0.02 0.00 0.00 55.36 55.96 1v27 s GLN 9 Cb 0.00 -0.13 -0.01 0.00 1.00 0.00 0.00 33.01 33.86 1v27 s GLN 9 CO 0.00 -0.18 -0.25 -1.17 -2.12 0.00 0.00 175.29 171.57 1v27 s LEU 10 N 1.37 2.06 -0.43 2.90 0.20 -1.02 -1.37 118.68 122.40 1v27 s LEU 10 Ca -0.08 -0.49 -0.15 0.00 0.69 0.00 0.00 54.13 54.10 1v27 s LEU 10 Cb -0.11 -1.35 0.04 0.00 -0.43 0.00 0.00 46.19 44.34 1v27 s LEU 10 CO -0.08 0.27 0.33 -0.44 -0.29 0.00 0.00 176.35 176.14 1v27 s SER 11 N -0.32 6.07 -0.14 3.68 0.01 -0.54 -1.22 113.70 121.23 1v27 s SER 11 Ca 0.01 -1.11 0.02 0.00 1.31 0.00 0.00 55.95 56.19 1v27 s SER 11 Cb -0.12 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.97 1v27 s SER 11 CO 0.02 -0.53 -0.20 -0.63 0.41 0.00 0.00 173.24 172.31 1v27 s ILE 12 N 1.64 1.96 -0.35 1.44 1.01 -1.20 -1.75 121.20 123.95 1v27 s ILE 12 Ca 0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 1v27 s ILE 12 Cb -0.21 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1v27 s ILE 12 CO 0.08 0.53 0.23 -0.75 0.00 0.00 0.00 174.94 175.03 1v27 s LYS 13 N 0.96 3.36 0.16 2.79 2.20 -0.14 -4.11 119.74 124.96 1v27 s LYS 13 Ca -0.04 -0.73 0.05 0.00 -0.36 0.00 0.00 55.97 54.89 1v27 s LYS 13 Cb -0.15 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1v27 s LYS 13 CO -0.04 -0.50 0.15 -0.51 -0.36 0.00 0.00 175.35 174.09 1v27 s LEU 14 N 1.69 3.85 -0.10 5.43 1.43 -1.26 0.97 118.68 130.69 1v27 s LEU 14 Ca 0.05 -0.10 -0.27 0.00 -1.03 0.00 0.00 54.13 52.78 1v27 s LEU 14 Cb -0.18 -2.46 0.06 0.00 0.03 0.00 0.00 46.19 43.65 1v27 s LEU 14 CO 0.10 0.07 0.64 0.86 0.23 0.00 0.00 176.35 178.24 1v27 s TRP 15 N -1.74 -0.63 -0.26 0.29 -0.11 0.75 -1.69 118.94 115.54 1v27 s TRP 15 Ca 0.31 1.22 -0.03 0.00 1.22 0.00 0.00 56.10 58.82 1v27 s TRP 15 Cb -0.10 0.33 0.02 0.00 -1.50 0.00 0.00 33.47 32.22 1v27 s TRP 15 CO 0.24 -0.51 -0.02 0.12 -4.62 0.00 0.00 176.95 172.16 1v27 s PHE 16 N -0.76 3.09 -1.20 5.86 5.36 -1.26 0.20 117.98 129.27 1v27 s PHE 16 Ca -0.08 -1.35 -0.13 0.00 -0.96 0.00 0.00 56.93 54.41 1v27 s PHE 16 Cb -0.02 -2.12 0.19 0.00 -0.34 0.00 0.00 43.02 40.73 1v27 s PHE 16 CO 0.07 -0.67 1.39 -0.25 -1.46 0.00 0.00 175.22 174.29 1v27 n ASP 17 N 4.73 5.28 0.26 6.13 8.00 0.15 -4.78 116.55 136.33 1v27 n ASP 17 Ca -0.16 -2.99 0.17 0.00 0.71 0.00 0.00 54.79 52.52 1v27 n ASP 17 Cb 0.47 -1.53 0.91 0.00 -0.02 0.00 0.00 41.12 40.95 1v27 n ASP 17 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1v27 h LYS 18 N 7.00 0.00 0.25 -1.24 -0.00 -1.93 1.03 116.57 121.68 1v27 h LYS 18 Ca 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.94 1v27 h LYS 18 Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.09 1v27 h LYS 18 CO 1.21 0.00 -0.24 0.28 -0.00 0.00 0.00 179.45 180.70 1v27 h VAL 19 N 0.00 0.00 -0.34 0.07 2.07 -1.94 -3.20 116.25 112.91 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 0.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 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 -1.27 1.65 2.90 2.17 0.00 -1.01 -4.98 105.19 104.64 1v27 n GLY 20 Ca -0.06 -0.60 -0.12 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 1.15 -1.89 -4.80 1.61 -0.00 0.34 -4.73 115.22 106.90 1v27 n HIS 21 Ca 0.16 0.70 -0.25 0.00 -0.00 0.00 0.00 57.72 58.33 1v27 n HIS 21 Cb 0.52 -3.98 -0.16 0.00 -0.00 0.00 0.00 29.99 26.36 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 -4.39 1.62 -0.26 -0.41 -0.21 -0.24 0.19 119.66 115.97 1v27 s GLN 22 Ca 0.26 -0.59 -0.21 0.00 0.02 0.00 0.00 55.36 54.84 1v27 s GLN 22 Cb -0.03 -1.46 -0.01 0.00 1.00 0.00 0.00 33.01 32.51 1v27 s GLN 22 CO 0.58 0.27 0.67 -1.17 -2.12 0.00 0.00 175.29 173.53 1v27 s LEU 23 N -0.07 4.07 -0.00 2.90 2.96 0.21 0.35 118.68 129.09 1v27 s LEU 23 Ca -0.01 0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 54.53 1v27 s LEU 23 Cb -0.10 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.62 1v27 s LEU 23 CO 0.01 -0.42 0.34 -0.63 -1.32 0.00 0.00 176.35 174.33 1v27 s ILE 24 N 2.60 5.17 -0.27 6.68 1.09 0.54 -0.14 121.20 136.87 1v27 s ILE 24 Ca 0.28 0.54 -0.00 0.00 -1.10 0.00 0.00 60.65 60.37 1v27 s ILE 24 Cb -0.15 -3.62 0.16 0.00 -1.06 0.00 0.00 42.46 37.79 1v27 s ILE 24 CO 0.09 0.49 0.45 0.54 -0.10 0.00 0.00 174.94 176.40 1v27 s VAL 25 N -1.18 -0.72 -0.28 2.92 0.11 0.77 -0.18 120.40 121.85 1v27 s VAL 25 Ca 0.25 -0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 1v27 s VAL 25 Cb -0.15 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1v27 s VAL 25 CO 0.13 -0.14 0.16 -0.89 -3.33 0.00 0.00 175.10 171.02 1v27 s THR 26 N 2.63 4.92 -0.84 5.04 2.01 0.27 -1.69 115.64 127.98 1v27 s THR 26 Ca 0.13 -0.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.84 1v27 s THR 26 Cb -0.14 -3.37 0.05 0.00 0.01 0.00 0.00 72.50 69.04 1v27 s THR 26 CO -0.22 0.23 1.30 -0.63 -0.69 0.00 0.00 174.62 174.60 1v27 s ILE 27 N 1.69 3.91 0.00 1.82 -1.09 -0.97 -0.97 121.20 125.59 1v27 s ILE 27 Ca 0.06 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 1v27 s ILE 27 Cb -0.16 -4.94 0.00 0.00 -1.58 0.00 0.00 42.46 35.78 1v27 s ILE 27 CO 0.08 -1.83 0.00 0.18 -1.23 0.00 0.00 174.94 172.14 1v27 n LEU 28 N 8.88 0.00 -3.67 2.97 4.77 -0.72 0.20 117.00 129.44 1v27 n LEU 28 Ca 0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1v27 n LEU 28 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1v27 n LEU 28 CO 0.67 0.00 0.38 -0.83 -1.33 0.00 0.00 177.39 176.28 1v27 s GLY 29 N 0.00 -0.27 0.28 -0.72 0.00 -1.21 0.83 107.32 106.23 1v27 s GLY 29 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 44.72 44.78 1v27 s GLY 29 CO 0.00 -0.07 0.28 0.00 0.00 0.00 0.00 173.10 173.31 1v27 s ALA 30 N -3.85 3.78 0.17 3.20 0.00 -0.70 -1.47 121.76 122.89 1v27 s ALA 30 Ca 0.07 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.40 1v27 s ALA 30 Cb -0.02 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.76 1v27 s ALA 30 CO -0.03 0.15 0.46 -1.59 0.00 0.00 0.00 175.76 174.75 1v27 s LYS 31 N -3.94 1.27 -1.28 0.00 0.00 -0.47 -3.49 119.74 111.84 1v27 s LYS 31 Ca 0.37 -0.86 -0.04 0.00 0.00 0.00 0.00 55.97 55.44 1v27 s LYS 31 Cb -0.08 0.49 0.01 0.00 0.00 0.00 0.00 37.83 38.25 1v27 s LYS 31 CO 0.27 -0.52 1.04 -0.25 0.00 0.00 0.00 175.35 175.88 1v27 n ASP 32 N -0.30 -3.63 -4.86 0.03 8.00 -1.26 -2.62 116.55 111.92 1v27 n ASP 32 Ca -0.11 -0.62 -0.35 0.00 0.71 0.00 0.00 54.79 54.43 1v27 n ASP 32 Cb 0.63 -4.96 -0.06 0.00 -0.02 0.00 0.00 41.12 36.72 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 -6.76 4.33 -0.46 0.64 1.43 -1.26 -4.40 118.68 112.19 1v27 s LEU 33 Ca 0.24 0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 53.97 1v27 s LEU 33 Cb -0.11 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1v27 s LEU 33 CO 0.74 0.12 1.44 -2.16 0.23 0.00 0.00 176.35 176.72 1v27 s PRO 34 N -2.01 3.45 1.27 1.29 0.04 -1.26 -5.00 135.00 132.78 1v27 s PRO 34 Ca 0.36 0.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.01 1v27 s PRO 34 Cb -0.14 -4.07 0.31 0.00 0.04 0.00 0.00 34.50 30.64 1v27 s PRO 34 CO 0.19 -1.73 1.01 0.45 0.04 0.00 0.00 177.00 176.95 1v27 s SER 35 N 4.30 0.21 0.24 6.66 0.15 -1.26 -5.00 113.70 119.01 1v27 s SER 35 Ca 0.59 1.00 0.06 0.00 0.70 0.00 0.00 55.95 58.30 1v27 s SER 35 Cb -0.13 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.67 1v27 s SER 35 CO 0.30 -4.60 0.20 0.54 1.20 0.00 0.00 173.24 170.88 1v27 n ARG 36 N -5.13 0.31 0.00 5.44 5.12 -1.26 -4.97 116.66 116.17 1v27 n ARG 36 Ca 0.09 -2.44 0.00 0.00 -1.93 0.00 0.00 57.85 53.57 1v27 n ARG 36 Cb 0.58 1.98 0.00 0.00 -1.16 0.00 0.00 32.46 33.86 1v27 n ARG 36 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1v27 n GLU 37 N -0.47 0.00 0.00 5.56 1.02 -1.26 -4.04 120.64 121.45 1v27 n GLU 37 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1v27 n GLU 37 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 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 1.46 0.00 0.00 1.62 -0.08 -1.26 -4.96 116.55 113.33 1v27 n ASP 38 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1v27 n ASP 38 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1v27 n GLY 39 N 0.00 0.00 3.82 0.27 0.00 -1.26 -5.07 105.19 102.95 1v27 n GLY 39 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.84 4.16 0.00 1.61 3.00 -1.26 -5.08 118.95 119.53 1v27 s ARG 40 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 55.73 56.42 1v27 s ARG 40 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 34.95 31.80 1v27 s ARG 40 CO 0.00 0.59 0.00 -0.35 0.00 0.00 0.00 175.30 175.54 1v27 n PRO 41 N 1.46 0.61 -3.80 3.54 -0.04 -1.26 -4.35 135.00 131.16 1v27 n PRO 41 Ca -0.09 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 1v27 n PRO 41 Cb 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.32 0.82 -3.83 0.54 1.85 -1.26 -4.78 116.66 109.68 1v27 n ARG 42 Ca 0.00 -2.55 -0.32 0.00 -1.00 0.00 0.00 57.85 53.98 1v27 n ARG 42 Cb 0.00 1.15 -0.11 0.00 -1.05 0.00 0.00 32.46 32.45 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 -2.87 4.94 0.71 2.89 0.01 -1.26 -0.41 114.94 118.94 1v27 s ASN 43 Ca 0.10 -3.28 -0.11 0.00 -0.71 0.00 0.00 52.86 48.86 1v27 s ASN 43 Cb 0.00 -1.74 0.02 0.00 0.41 0.00 0.00 41.25 39.94 1v27 s ASN 43 CO 0.07 -0.23 1.07 -2.16 -1.51 0.00 0.00 177.10 174.34 1v27 s PRO 44 N -0.67 2.80 -0.25 -0.60 0.04 -1.16 -0.22 135.00 134.94 1v27 s PRO 44 Ca 0.20 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 61.88 1v27 s PRO 44 Cb -0.17 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.52 1v27 s PRO 44 CO -0.07 -1.18 1.06 1.52 0.04 0.00 0.00 177.00 178.37 1v27 s TYR 45 N -3.07 -0.41 0.15 0.56 -0.85 -0.64 -2.27 117.35 110.83 1v27 s TYR 45 Ca 0.58 0.94 0.01 0.00 -0.52 0.00 0.00 57.07 58.09 1v27 s TYR 45 Cb -0.14 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 1v27 s TYR 45 CO 0.55 -0.24 0.30 0.08 -1.52 0.00 0.00 175.55 174.72 1v27 s VAL 46 N -0.11 5.30 -0.22 -3.49 1.01 -1.26 -2.21 120.40 119.41 1v27 s VAL 46 Ca 0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 1v27 s VAL 46 Cb -0.04 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.71 1v27 s VAL 46 CO -0.05 -0.07 0.15 -0.75 0.00 0.00 0.00 175.10 174.38 1v27 s LYS 47 N -3.12 0.15 0.25 2.72 2.20 0.12 -3.21 119.74 118.85 1v27 s LYS 47 Ca 0.36 -0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.74 1v27 s LYS 47 Cb -0.11 -1.40 -0.06 0.00 -1.51 0.00 0.00 37.83 34.75 1v27 s LYS 47 CO 0.28 -0.80 0.54 0.42 -0.36 0.00 0.00 175.35 175.43 1v27 s ILE 48 N 2.19 4.99 -0.30 5.43 1.01 0.66 -1.06 121.20 134.11 1v27 s ILE 48 Ca 0.06 0.26 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1v27 s ILE 48 Cb -0.16 -3.67 0.17 0.00 0.01 0.00 0.00 42.46 38.82 1v27 s ILE 48 CO -0.20 -0.17 0.48 -0.31 0.00 0.00 0.00 174.94 174.74 1v27 s TYR 49 N -1.93 -1.28 -0.58 3.97 2.02 -1.14 -3.10 117.35 115.31 1v27 s TYR 49 Ca 0.45 0.47 -0.26 0.00 -0.37 0.00 0.00 57.07 57.36 1v27 s TYR 49 Cb -0.11 0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.41 1v27 s TYR 49 CO 0.25 -1.03 2.12 0.12 -1.57 0.00 0.00 175.55 175.44 1v27 s PHE 50 N 2.50 1.39 0.80 2.71 5.36 -1.20 -2.90 117.98 126.65 1v27 s PHE 50 Ca 0.11 1.17 -0.11 0.00 -0.96 0.00 0.00 56.93 57.14 1v27 s PHE 50 Cb -0.11 -3.84 0.07 0.00 -0.34 0.00 0.00 43.02 38.80 1v27 s PHE 50 CO -0.25 -2.34 1.10 -0.51 -1.46 0.00 0.00 175.22 171.75 1v27 s LEU 51 N 10.73 2.91 0.00 6.12 1.02 -0.83 -1.71 118.68 136.93 1v27 s LEU 51 Ca 0.81 1.81 0.22 0.00 0.02 0.00 0.00 54.13 56.99 1v27 s LEU 51 Cb -0.14 -4.44 0.97 0.00 0.02 0.00 0.00 46.19 42.60 1v27 s LEU 51 CO 0.21 -2.22 1.71 -0.81 0.02 0.00 0.00 176.35 175.26 1v27 n PRO 52 N -3.64 0.06 -1.56 1.29 -0.04 -1.26 -4.02 135.00 125.83 1v27 n PRO 52 Ca 0.09 0.11 -0.48 0.00 -0.04 0.00 0.00 63.50 63.19 1v27 n PRO 52 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.46 1.01 -2.71 3.54 2.03 -0.69 -4.90 116.55 113.37 1v27 n ASP 53 Ca 0.06 1.15 -0.07 0.00 0.52 0.00 0.00 54.79 56.45 1v27 n ASP 53 Cb 0.24 -1.20 0.09 0.00 -0.72 0.00 0.00 41.12 39.54 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 1.39 0.85 -2.69 -0.67 1.74 -1.26 -4.26 116.66 111.76 1v27 n ARG 54 Ca 0.14 -1.65 -0.05 0.00 -0.77 0.00 0.00 57.85 55.52 1v27 n ARG 54 Cb 0.26 -0.73 0.06 0.00 -1.02 0.00 0.00 32.46 31.03 1v27 n ARG 54 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1v27 n SER 55 N 0.26 -1.79 -0.90 0.55 7.64 -1.26 -5.14 113.62 112.98 1v27 n SER 55 Ca 0.02 -2.05 0.03 0.00 1.01 0.00 0.00 58.87 57.87 1v27 n SER 55 Cb 0.73 1.02 -0.01 0.00 -1.01 0.00 0.00 64.21 64.94 1v27 n SER 55 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1v27 n ASP 56 N 1.78 -5.37 0.00 6.43 -0.08 -1.26 -4.76 116.55 113.29 1v27 n ASP 56 Ca 0.05 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.54 1v27 n ASP 56 Cb 0.67 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1v27 n ASP 56 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1v27 n LYS 57 N -1.99 0.00 -1.21 -0.67 4.01 -1.26 -3.40 118.16 113.64 1v27 n LYS 57 Ca 0.00 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.54 1v27 n LYS 57 Cb 0.09 0.00 0.14 0.00 -0.51 0.00 0.00 35.03 34.74 1v27 n LYS 57 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1v27 n ASN 58 N 2.04 5.13 -4.37 4.39 3.02 -1.26 -4.86 115.26 119.35 1v27 n ASN 58 Ca 0.00 -3.60 -0.42 0.00 -0.03 0.00 0.00 54.58 50.53 1v27 n ASN 58 Cb 0.00 -0.88 -0.10 0.00 -0.61 0.00 0.00 39.78 38.19 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 -3.32 2.84 -0.17 3.52 2.20 -1.22 -3.24 119.74 120.36 1v27 s LYS 59 Ca 0.57 -1.24 -0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1v27 s LYS 59 Cb 0.47 -3.91 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1v27 s LYS 59 CO 0.06 -0.87 -0.10 1.03 -0.36 0.00 0.00 175.35 175.11 1v27 s ARG 60 N 1.57 3.36 0.01 4.03 1.81 -1.18 -4.97 118.95 123.58 1v27 s ARG 60 Ca 0.03 -0.67 0.01 0.00 -1.72 0.00 0.00 55.73 53.38 1v27 s ARG 60 Cb -0.22 -2.77 -0.01 0.00 -0.45 0.00 0.00 34.95 31.51 1v27 s ARG 60 CO 0.06 0.03 -0.03 0.50 -0.68 0.00 0.00 175.30 175.18 1v27 s ARG 61 N 0.83 0.24 0.49 3.54 3.52 -1.26 -0.25 118.95 126.06 1v27 s ARG 61 Ca -0.03 -0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 55.23 1v27 s ARG 61 Cb -0.15 -0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.12 1v27 s ARG 61 CO 0.01 0.02 0.78 0.95 -0.81 0.00 0.00 175.30 176.24 1v27 s THR 62 N -0.58 4.61 0.46 4.11 -4.23 -1.20 -5.02 115.64 113.79 1v27 s THR 62 Ca -0.05 0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.26 1v27 s THR 62 Cb -0.04 -3.75 -0.08 0.00 1.34 0.00 0.00 72.50 69.96 1v27 s THR 62 CO -0.00 -0.71 1.33 2.29 -0.54 0.00 0.00 174.62 176.99 1v27 n LYS 63 N -2.27 1.95 -2.61 3.99 2.85 -1.26 -4.67 118.16 116.15 1v27 n LYS 63 Ca 0.01 0.70 -0.43 0.00 -1.05 0.00 0.00 58.31 57.54 1v27 n LYS 63 Cb 0.56 -2.49 -0.02 0.00 -0.65 0.00 0.00 35.03 32.43 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 -1.22 4.24 0.30 0.58 2.01 -1.26 -4.78 115.64 115.51 1v27 s THR 64 Ca 0.63 1.29 -0.28 0.00 0.31 0.00 0.00 61.69 63.64 1v27 s THR 64 Cb -0.47 -4.58 -0.09 0.00 0.01 0.00 0.00 72.50 67.36 1v27 s THR 64 CO 0.56 -0.95 0.97 -0.69 -0.69 0.00 0.00 174.62 173.82 1v27 s VAL 65 N 4.35 4.02 -0.13 3.82 1.01 -0.96 -5.01 120.40 127.50 1v27 s VAL 65 Ca 0.48 1.83 0.02 0.00 0.00 0.00 0.00 61.98 64.30 1v27 s VAL 65 Cb -0.08 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 1v27 s VAL 65 CO 0.30 0.28 -0.18 -0.54 0.00 0.00 0.00 175.10 174.96 1v27 s LYS 66 N -1.72 3.18 -0.38 2.72 -0.14 -1.26 -2.99 119.74 119.15 1v27 s LYS 66 Ca 0.47 -0.79 -0.11 0.00 -1.36 0.00 0.00 55.97 54.18 1v27 s LYS 66 Cb -0.23 -2.51 0.01 0.00 -1.68 0.00 0.00 37.83 33.42 1v27 s LYS 66 CO 0.29 0.09 0.39 1.63 -0.76 0.00 0.00 175.35 177.00 1v27 n LYS 67 N 3.81 -2.72 -3.15 1.68 5.02 0.45 -4.95 118.16 118.30 1v27 n LYS 67 Ca -0.19 2.31 0.06 0.00 -2.02 0.00 0.00 58.31 58.47 1v27 n LYS 67 Cb 0.52 -5.38 -0.02 0.00 -0.02 0.00 0.00 35.03 30.13 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 -2.21 -0.02 -0.08 -0.18 -1.32 -0.79 -4.91 115.64 106.13 1v27 s THR 68 Ca 0.17 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 60.95 1v27 s THR 68 Cb -0.04 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.32 1v27 s THR 68 CO 0.77 0.00 1.87 -0.07 -2.21 0.00 0.00 174.62 174.98 1v27 h LEU 69 N 7.89 0.00 -6.99 9.08 3.38 -1.95 -3.37 115.31 123.34 1v27 h LEU 69 Ca -0.10 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.26 1v27 h LEU 69 Cb 1.17 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.52 1v27 h LEU 69 CO -0.22 0.00 -0.74 -1.61 0.09 0.00 0.00 178.44 175.96 1v27 s GLU 70 N -3.53 1.27 0.51 1.13 2.02 -1.26 -4.14 118.70 114.70 1v27 s GLU 70 Ca 0.03 -1.99 -0.19 0.00 0.02 0.00 0.00 54.97 52.84 1v27 s GLU 70 Cb 0.08 -2.32 -0.08 0.00 0.10 0.00 0.00 34.13 31.91 1v27 s GLU 70 CO 0.57 -1.16 1.04 -1.25 0.02 0.00 0.00 175.26 174.48 1v27 s PRO 71 N 0.38 3.72 -0.35 0.39 0.04 -1.23 -4.83 135.00 133.11 1v27 s PRO 71 Ca 0.18 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 62.53 1v27 s PRO 71 Cb -0.24 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.33 1v27 s PRO 71 CO 0.00 -0.50 0.18 0.15 0.04 0.00 0.00 177.00 176.88 1v27 s LYS 72 N -3.41 0.72 -0.09 4.56 1.02 -1.26 -1.72 119.74 119.55 1v27 s LYS 72 Ca 0.66 -1.31 -0.09 0.00 0.02 0.00 0.00 55.97 55.25 1v27 s LYS 72 Cb -0.16 -1.71 -0.28 0.00 -0.52 0.00 0.00 37.83 35.16 1v27 s LYS 72 CO 0.23 -1.11 0.50 -1.49 -0.92 0.00 0.00 175.35 172.56 1v27 h TRP 73 N 7.43 0.58 -5.48 3.18 6.55 0.35 -3.47 115.95 125.08 1v27 h TRP 73 Ca -0.05 -0.42 -0.19 0.00 0.95 0.00 0.00 58.89 59.18 1v27 h TRP 73 Cb 0.98 -0.02 -0.11 0.00 -0.86 0.00 0.00 29.16 29.14 1v27 h TRP 73 CO 0.41 1.73 -0.27 0.09 -1.05 0.00 0.00 178.44 179.35 1v27 n ASN 74 N -3.57 -1.19 -4.29 -3.49 3.02 0.54 -4.85 115.26 101.42 1v27 n ASN 74 Ca -0.29 -0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 53.94 1v27 n ASN 74 Cb 1.05 -1.13 0.16 0.00 -0.61 0.00 0.00 39.78 39.26 1v27 n ASN 74 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1v27 s GLN 75 N -5.42 0.94 0.08 3.52 -1.52 -0.96 -4.83 119.66 111.46 1v27 s GLN 75 Ca 0.25 -0.56 0.07 0.00 -1.95 0.00 0.00 55.36 53.17 1v27 s GLN 75 Cb -0.14 -1.97 -0.03 0.00 -0.22 0.00 0.00 33.01 30.65 1v27 s GLN 75 CO 0.30 -2.15 -0.18 0.99 -0.25 0.00 0.00 175.29 174.00 1v27 s THR 76 N -3.70 1.47 -0.15 -0.19 2.01 -1.26 -2.30 115.64 111.51 1v27 s THR 76 Ca 0.72 -1.35 -0.07 0.00 0.31 0.00 0.00 61.69 61.30 1v27 s THR 76 Cb -0.04 -1.34 0.06 0.00 0.01 0.00 0.00 72.50 71.19 1v27 s THR 76 CO 0.51 -0.05 0.33 -0.36 -0.69 0.00 0.00 174.62 174.35 1v27 s PHE 77 N -1.09 -0.53 0.01 4.92 0.08 -0.68 -4.95 117.98 115.74 1v27 s PHE 77 Ca 0.04 1.12 0.03 0.00 0.12 0.00 0.00 56.93 58.24 1v27 s PHE 77 Cb -0.10 0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.46 1v27 s PHE 77 CO 0.03 -0.35 -0.07 0.42 -0.10 0.00 0.00 175.22 175.16 1v27 s ILE 78 N 1.90 3.65 -0.17 0.64 1.01 -1.26 -0.16 121.20 126.81 1v27 s ILE 78 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 1v27 s ILE 78 Cb -0.11 -2.59 0.05 0.00 0.01 0.00 0.00 42.46 39.83 1v27 s ILE 78 CO -0.11 0.38 0.04 -0.31 0.00 0.00 0.00 174.94 174.95 1v27 s TYR 79 N -1.01 0.74 0.10 3.97 2.02 0.81 -4.91 117.35 119.08 1v27 s TYR 79 Ca 0.17 -0.60 -0.08 0.00 -0.37 0.00 0.00 57.07 56.20 1v27 s TYR 79 Cb -0.11 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1v27 s TYR 79 CO 0.08 -0.53 0.18 -1.54 -1.57 0.00 0.00 175.55 172.16 1v27 s SER 80 N 1.95 0.15 0.30 2.29 1.04 -1.26 0.64 113.70 118.81 1v27 s SER 80 Ca 0.01 -0.74 -0.28 0.00 0.48 0.00 0.00 55.95 55.41 1v27 s SER 80 Cb -0.16 0.34 -0.09 0.00 0.10 0.00 0.00 66.02 66.21 1v27 s SER 80 CO -0.08 -0.74 1.07 -2.16 0.98 0.00 0.00 173.24 172.31 1v27 s PRO 81 N -3.89 4.55 -0.13 4.02 0.04 -1.26 -5.07 135.00 133.25 1v27 s PRO 81 Ca 0.08 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1v27 s PRO 81 Cb 0.05 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.59 1v27 s PRO 81 CO -0.09 0.16 0.01 0.08 0.04 0.00 0.00 177.00 177.20 1v27 s VAL 82 N -1.28 0.55 0.30 -0.36 1.01 0.52 -4.99 120.40 116.15 1v27 s VAL 82 Ca 0.47 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1v27 s VAL 82 Cb -0.29 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1v27 s VAL 82 CO 0.37 0.06 0.47 -1.00 0.00 0.00 0.00 175.10 175.00 1v27 s HIS 83 N 1.88 3.48 0.25 5.22 3.76 -1.26 -3.93 115.29 124.69 1v27 s HIS 83 Ca 0.02 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1v27 s HIS 83 Cb -0.15 -1.78 0.32 0.00 1.11 0.00 0.00 32.58 32.08 1v27 s HIS 83 CO -0.07 0.25 1.63 -0.09 -0.85 0.00 0.00 174.74 175.61 1v27 h ARG 84 N 0.96 0.37 0.00 1.40 9.65 -2.00 -2.50 114.38 122.25 1v27 h ARG 84 Ca -0.50 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.18 1v27 h ARG 84 Cb 1.22 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1v27 h ARG 84 CO 0.61 0.75 0.00 0.07 2.80 0.00 0.00 179.97 184.20 1v27 h ARG 85 N 0.30 0.00 0.00 0.20 0.11 -2.00 -2.96 114.38 110.03 1v27 h ARG 85 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1v27 h ARG 85 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1v27 h ARG 85 CO 0.08 0.00 0.00 0.93 0.10 0.00 0.00 179.97 181.08 1v27 h GLU 86 N 0.00 0.00 -0.19 0.08 4.39 -1.84 -3.29 114.58 113.73 1v27 h GLU 86 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1v27 h GLU 86 Cb 0.84 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 1v27 h GLU 86 CO 0.00 0.00 -0.10 0.74 -1.16 0.00 0.00 179.01 178.49 1v27 h PHE 87 N 0.00 -0.24 0.00 4.33 -1.00 -1.42 1.60 116.94 120.22 1v27 h PHE 87 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1v27 h PHE 87 Cb 0.70 0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.39 1v27 h PHE 87 CO 0.00 -0.15 0.00 2.89 -1.61 0.00 0.00 178.31 179.44 1v27 n ARG 88 N -5.25 0.14 0.00 1.51 1.85 -1.24 -0.82 116.66 112.85 1v27 n ARG 88 Ca -0.02 0.50 0.07 0.00 -1.00 0.00 0.00 57.85 57.39 1v27 n ARG 88 Cb 0.17 -1.84 0.01 0.00 -1.05 0.00 0.00 32.46 29.75 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 -2.12 1.75 -3.67 2.89 1.02 0.68 -4.91 120.64 116.27 1v27 n GLU 89 Ca 0.01 -0.79 -0.17 0.00 -0.02 0.00 0.00 57.16 56.19 1v27 n GLU 89 Cb 0.13 -1.19 -0.16 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.57 0.02 0.10 3.49 0.52 0.52 -4.78 118.95 117.25 1v27 s ARG 90 Ca 0.12 0.53 0.10 0.00 -0.52 0.00 0.00 55.73 55.95 1v27 s ARG 90 Cb 0.11 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.24 1v27 s ARG 90 CO 0.31 -0.30 -0.26 1.41 0.02 0.00 0.00 175.30 176.48 1v27 s MET 91 N 2.21 1.44 0.11 3.54 -2.45 -1.26 -3.93 119.30 118.96 1v27 s MET 91 Ca 0.03 -1.25 -0.12 0.00 -1.25 0.00 0.00 55.69 53.10 1v27 s MET 91 Cb -0.12 -1.82 -0.06 0.00 1.25 0.00 0.00 34.83 34.08 1v27 s MET 91 CO -0.05 0.44 0.47 -0.51 1.05 0.00 0.00 175.02 176.41 1v27 s LEU 92 N -1.82 4.34 -0.40 4.11 2.01 -0.70 -1.96 118.68 124.26 1v27 s LEU 92 Ca 0.12 0.91 0.01 0.00 0.01 0.00 0.00 54.13 55.19 1v27 s LEU 92 Cb -0.10 -3.12 0.13 0.00 0.01 0.00 0.00 46.19 43.11 1v27 s LEU 92 CO 0.05 0.14 0.20 -0.70 1.01 0.00 0.00 176.35 177.05 1v27 s GLU 93 N -1.96 1.05 0.30 1.70 2.12 -1.14 -2.03 118.70 118.75 1v27 s GLU 93 Ca 0.35 -1.71 -0.15 0.00 0.36 0.00 0.00 54.97 53.82 1v27 s GLU 93 Cb -0.14 -2.11 -0.09 0.00 0.26 0.00 0.00 34.13 32.05 1v27 s GLU 93 CO 0.19 -1.13 0.72 0.42 -0.54 0.00 0.00 175.26 174.92 1v27 s ILE 94 N 0.73 4.68 0.00 -3.70 1.09 -0.51 -2.87 121.20 120.62 1v27 s ILE 94 Ca 0.16 0.97 -0.02 0.00 -1.10 0.00 0.00 60.65 60.66 1v27 s ILE 94 Cb -0.23 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 37.52 1v27 s ILE 94 CO -0.05 -0.12 0.03 0.42 -0.10 0.00 0.00 174.94 175.13 1v27 s THR 95 N -1.90 0.06 -0.06 2.92 -4.23 -0.22 -0.06 115.64 112.14 1v27 s THR 95 Ca 0.52 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1v27 s THR 95 Cb -0.11 -0.20 0.01 0.00 1.34 0.00 0.00 72.50 73.53 1v27 s THR 95 CO 0.18 -0.26 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.66 1v27 s LEU 96 N -0.78 1.68 0.19 4.79 2.96 -0.31 0.14 118.68 127.35 1v27 s LEU 96 Ca -0.09 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1v27 s LEU 96 Cb -0.05 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 1v27 s LEU 96 CO -0.00 0.05 0.20 0.26 -1.32 0.00 0.00 176.35 175.54 1v27 s TRP 97 N 0.56 0.87 -0.30 5.38 0.52 -0.94 -0.65 118.94 124.38 1v27 s TRP 97 Ca -0.12 -1.16 0.03 0.00 0.02 0.00 0.00 56.10 54.87 1v27 s TRP 97 Cb -0.15 -0.35 0.08 0.00 -1.15 0.00 0.00 33.47 31.91 1v27 s TRP 97 CO 0.03 -0.70 -0.03 0.34 0.02 0.00 0.00 176.95 176.62 1v27 s ASP 98 N -3.09 4.64 -0.77 2.95 2.15 -1.26 -1.61 116.67 119.68 1v27 s ASP 98 Ca 0.31 -1.72 -0.25 0.00 0.43 0.00 0.00 52.55 51.32 1v27 s ASP 98 Cb 0.05 -1.61 -0.17 0.00 -0.30 0.00 0.00 42.92 40.90 1v27 s ASP 98 CO 0.08 -0.29 2.46 1.67 -0.17 0.00 0.00 175.17 178.93 1v27 n GLN 99 N 4.38 0.50 -4.46 4.34 0.00 0.69 -4.46 117.38 118.36 1v27 n GLN 99 Ca -0.06 -0.17 -0.27 0.00 -0.00 0.00 0.00 57.00 56.50 1v27 n GLN 99 Cb 0.42 -2.58 -0.10 0.00 0.00 0.00 0.00 30.24 27.98 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v27 s ALA 100 N 10.04 3.33 0.00 1.69 0.00 -1.26 -4.34 121.76 131.23 1v27 s ALA 100 Ca 1.13 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1v27 s ALA 100 Cb -0.58 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1v27 s ALA 100 CO 0.34 -0.13 0.00 0.54 0.00 0.00 0.00 175.76 176.50 1v27 n ARG 101 N -1.07 0.00 -1.28 0.00 3.00 -1.26 -4.58 116.66 111.47 1v27 n ARG 101 Ca -0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.85 57.88 1v27 n ARG 101 Cb 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.08 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 0.00 -1.58 -1.70 1.55 0.24 -1.26 -4.79 118.33 110.79 1v27 n VAL 102 Ca 0.00 1.01 -0.16 0.00 -2.04 0.00 0.00 64.34 63.15 1v27 n VAL 102 Cb 0.00 -1.62 -0.05 0.00 -1.47 0.00 0.00 33.84 30.70 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 -3.29 -1.19 -1.77 7.34 1.74 -1.26 -4.89 116.66 113.33 1v27 n ARG 103 Ca -0.04 1.00 -0.01 0.00 -0.77 0.00 0.00 57.85 58.03 1v27 n ARG 103 Cb 0.51 -5.26 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 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 -2.54 0.13 -3.61 5.56 2.13 -1.26 -5.09 120.64 115.96 1v27 n GLU 104 Ca -0.17 -0.28 -0.37 0.00 0.66 0.00 0.00 57.16 57.00 1v27 n GLU 104 Cb 0.57 0.37 -0.06 0.00 0.27 0.00 0.00 31.44 32.59 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 -0.12 2.72 -4.04 5.31 2.13 -1.26 -5.01 120.64 120.38 1v27 n GLU 105 Ca -0.01 -4.48 -0.25 0.00 0.66 0.00 0.00 57.16 53.08 1v27 n GLU 105 Cb 0.10 -2.42 -0.17 0.00 0.27 0.00 0.00 31.44 29.22 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 -1.41 1.36 0.00 5.31 2.02 -1.26 -5.09 118.70 119.62 1v27 s GLU 106 Ca 0.28 -0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.06 1v27 s GLU 106 Cb -0.07 -1.39 -0.00 0.00 0.10 0.00 0.00 34.13 32.76 1v27 s GLU 106 CO -0.12 -0.20 -0.03 -1.54 0.02 0.00 0.00 175.26 173.39 1v27 s SER 107 N 1.47 0.39 0.00 -0.19 1.04 -1.26 -4.04 113.70 111.11 1v27 s SER 107 Ca -0.00 -0.10 0.24 0.00 0.48 0.00 0.00 55.95 56.56 1v27 s SER 107 Cb -0.13 -0.03 0.20 0.00 0.10 0.00 0.00 66.02 66.16 1v27 s SER 107 CO -0.05 0.01 1.24 -1.84 0.98 0.00 0.00 173.24 173.58 1v27 n GLU 108 N 2.86 1.60 -2.63 4.02 0.28 -1.26 -5.02 120.64 120.48 1v27 n GLU 108 Ca -0.14 -1.27 0.00 0.00 -0.16 0.00 0.00 57.16 55.59 1v27 n GLU 108 Cb 0.59 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.98 1v27 n GLU 108 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1v27 n PHE 109 N 0.41 0.00 0.38 -1.84 7.35 -1.26 -4.75 117.46 117.75 1v27 n PHE 109 Ca 0.12 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.93 1v27 n PHE 109 Cb 0.50 -0.82 0.51 0.00 0.35 0.00 0.00 39.48 40.02 1v27 n PHE 109 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1v27 n LEU 110 N 1.55 0.70 0.00 -2.13 4.77 0.18 -4.90 117.00 117.17 1v27 n LEU 110 Ca 0.00 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1v27 n LEU 110 Cb 0.26 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1v27 n LEU 110 CO 0.00 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.07 1v27 n GLY 111 N -0.07 4.03 3.61 -0.72 0.00 -1.07 -4.29 105.19 106.68 1v27 n GLY 111 Ca 0.02 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.53 2.40 -0.33 1.61 -1.05 -1.25 -1.16 118.70 115.38 1v27 s GLU 112 Ca 0.00 -0.86 0.03 0.00 -0.15 0.00 0.00 54.97 53.99 1v27 s GLU 112 Cb 0.00 -2.44 0.09 0.00 -0.44 0.00 0.00 34.13 31.35 1v27 s GLU 112 CO 0.00 0.55 0.04 0.42 0.95 0.00 0.00 175.26 177.23 1v27 s ILE 113 N -1.15 2.40 0.09 1.83 1.01 0.91 -3.57 121.20 122.72 1v27 s ILE 113 Ca 0.21 -2.18 -0.11 0.00 0.00 0.00 0.00 60.65 58.57 1v27 s ILE 113 Cb -0.11 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 1v27 s ILE 113 CO 0.12 -0.51 0.43 -0.76 0.00 0.00 0.00 174.94 174.22 1v27 s LEU 114 N 0.97 4.34 -0.06 2.97 1.02 -1.26 -1.43 118.68 125.23 1v27 s LEU 114 Ca 0.07 0.84 -0.02 0.00 0.02 0.00 0.00 54.13 55.04 1v27 s LEU 114 Cb -0.20 -3.04 0.04 0.00 0.02 0.00 0.00 46.19 43.01 1v27 s LEU 114 CO -0.07 0.16 0.11 -0.63 0.02 0.00 0.00 176.35 175.94 1v27 s ILE 115 N -1.42 -0.16 -0.59 -0.59 1.09 -0.86 -4.97 121.20 113.71 1v27 s ILE 115 Ca 0.34 0.33 -0.25 0.00 -1.10 0.00 0.00 60.65 59.97 1v27 s ILE 115 Cb -0.14 -0.22 0.04 0.00 -1.06 0.00 0.00 42.46 41.08 1v27 s ILE 115 CO 0.18 0.14 1.04 -1.61 -0.10 0.00 0.00 174.94 174.59 1v27 s GLU 116 N 1.93 3.35 0.51 2.79 2.02 -1.26 -1.73 118.70 126.30 1v27 s GLU 116 Ca 0.00 -0.18 0.43 0.00 0.02 0.00 0.00 54.97 55.24 1v27 s GLU 116 Cb -0.12 -4.07 1.64 0.00 0.10 0.00 0.00 34.13 31.68 1v27 s GLU 116 CO -0.05 -1.63 1.58 -0.07 0.02 0.00 0.00 175.26 175.12 1v27 h LEU 117 N 11.44 0.09 -0.23 1.80 3.38 -1.74 1.46 115.31 131.51 1v27 h LEU 117 Ca -0.26 0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1v27 h LEU 117 Cb 1.07 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1v27 h LEU 117 CO 1.14 -0.11 -0.08 -0.08 0.09 0.00 0.00 178.44 179.40 1v27 h GLU 118 N 0.00 -0.03 -0.43 1.13 4.81 -1.81 -2.41 114.58 115.84 1v27 h GLU 118 Ca 0.91 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.95 1v27 h GLU 118 Cb 3.37 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 32.64 1v27 h GLU 118 CO -0.21 -0.02 0.03 0.25 -0.73 0.00 0.00 179.01 178.33 1v27 n THR 119 N -5.23 2.61 -2.72 0.32 -2.24 0.46 -4.94 114.28 102.53 1v27 n THR 119 Ca -0.02 -2.52 -0.43 0.00 -2.27 0.00 0.00 64.05 58.82 1v27 n THR 119 Cb 0.16 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 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 -3.20 3.08 -0.91 6.98 0.00 0.12 -4.84 121.76 123.01 1v27 s ALA 120 Ca 0.46 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 1v27 s ALA 120 Cb 0.41 -3.87 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1v27 s ALA 120 CO 0.02 -2.51 2.03 -0.48 0.00 0.00 0.00 175.76 174.83 1v27 s LEU 121 N 4.41 3.09 -0.13 0.00 0.05 -1.26 -4.92 118.68 119.93 1v27 s LEU 121 Ca 0.36 -0.63 -0.18 0.00 0.05 0.00 0.00 54.13 53.73 1v27 s LEU 121 Cb -0.10 -2.56 -0.04 0.00 -2.05 0.00 0.00 46.19 41.44 1v27 s LEU 121 CO 0.22 -3.01 0.49 -0.76 -0.55 0.00 0.00 176.35 172.74 1v27 s LEU 122 N 11.12 4.25 -0.01 1.48 1.43 -1.26 -4.83 118.68 130.86 1v27 s LEU 122 Ca 0.74 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 1v27 s LEU 122 Cb -0.07 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.45 1v27 s LEU 122 CO 0.02 -0.04 0.46 -0.67 0.23 0.00 0.00 176.35 176.35 1v27 n ASP 123 N 3.88 -0.06 -4.25 2.29 -0.08 -1.17 -4.83 116.55 112.33 1v27 n ASP 123 Ca -0.06 -0.88 -0.37 0.00 -1.51 0.00 0.00 54.79 51.97 1v27 n ASP 123 Cb 0.51 0.03 -0.06 0.00 2.34 0.00 0.00 41.12 43.94 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 -0.06 -2.00 -4.35 1.67 2.03 -0.68 -4.88 116.55 108.28 1v27 n ASP 124 Ca -0.01 -1.00 -0.35 0.00 0.52 0.00 0.00 54.79 53.94 1v27 n ASP 124 Cb 0.47 -1.73 -0.14 0.00 -0.72 0.00 0.00 41.12 39.01 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 -6.93 3.46 -0.12 -0.67 2.02 -1.26 -4.97 118.70 110.23 1v27 s GLU 125 Ca 0.72 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 1v27 s GLU 125 Cb -0.42 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 1v27 s GLU 125 CO 0.89 -0.15 1.26 -1.25 0.02 0.00 0.00 175.26 176.02 1v27 s PRO 126 N 1.39 4.28 0.17 0.39 0.04 -1.26 -4.52 135.00 135.49 1v27 s PRO 126 Ca 0.05 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.85 1v27 s PRO 126 Cb -0.14 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 1v27 s PRO 126 CO -0.01 -0.61 -0.16 -1.01 0.04 0.00 0.00 177.00 175.24 1v27 s HIS 127 N 3.01 1.70 -0.42 0.56 3.76 -1.26 -5.02 115.29 117.61 1v27 s HIS 127 Ca 0.56 -0.52 -0.13 0.00 -0.15 0.00 0.00 55.06 54.82 1v27 s HIS 127 Cb -0.23 -0.84 0.05 0.00 1.11 0.00 0.00 32.58 32.67 1v27 s HIS 127 CO 0.18 0.30 0.30 -1.58 -0.85 0.00 0.00 174.74 173.10 1v27 s TRP 128 N -2.34 3.26 -0.45 1.40 0.52 -1.26 -3.27 118.94 116.80 1v27 s TRP 128 Ca 0.16 -0.96 -0.16 0.00 0.02 0.00 0.00 56.10 55.17 1v27 s TRP 128 Cb -0.04 -2.82 0.05 0.00 -1.15 0.00 0.00 33.47 29.51 1v27 s TRP 128 CO 0.06 -0.72 0.37 0.71 0.02 0.00 0.00 176.95 177.39 1v27 s TYR 129 N 1.59 3.23 0.58 -1.98 2.02 -0.36 -4.87 117.35 117.56 1v27 s TYR 129 Ca 0.04 -0.76 -0.19 0.00 -0.37 0.00 0.00 57.07 55.78 1v27 s TYR 129 Cb -0.22 -2.96 -0.05 0.00 -0.40 0.00 0.00 41.96 38.33 1v27 s TYR 129 CO 0.07 -0.73 0.96 1.63 -1.57 0.00 0.00 175.55 175.92 1v27 n LYS 130 N 5.24 0.95 -2.40 -0.62 4.01 -1.26 -2.42 118.16 121.66 1v27 n LYS 130 Ca -0.11 0.37 -0.28 0.00 -0.51 0.00 0.00 58.31 57.77 1v27 n LYS 130 Cb 0.45 -2.15 0.01 0.00 -0.51 0.00 0.00 35.03 32.83 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 -1.83 3.44 -0.20 -0.35 2.01 -0.19 -4.88 118.68 116.68 1v27 s LEU 131 Ca 0.74 1.00 -0.00 0.00 0.01 0.00 0.00 54.13 55.88 1v27 s LEU 131 Cb -0.43 -3.94 0.05 0.00 0.01 0.00 0.00 46.19 41.88 1v27 s LEU 131 CO 0.48 -0.76 -0.05 0.00 1.01 0.00 0.00 176.35 177.04 1v27 s GLN 132 N -4.90 1.45 -0.01 1.70 -2.07 -1.23 -4.41 119.66 110.18 1v27 s GLN 132 Ca 0.51 -0.69 0.11 0.00 -1.82 0.00 0.00 55.36 53.47 1v27 s GLN 132 Cb -0.10 -2.25 -0.15 0.00 -1.09 0.00 0.00 33.01 29.41 1v27 s GLN 132 CO 0.47 -0.51 0.35 0.25 -1.32 0.00 0.00 175.29 174.52 1v27 n THR 133 N 4.81 0.00 -3.84 3.63 -2.24 -1.26 -3.79 114.28 111.59 1v27 n THR 133 Ca -0.12 -0.25 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1v27 n THR 133 Cb 0.46 0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 1v27 n THR 133 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1v27 s HIS 134 N -2.46 3.62 0.00 4.78 5.65 -1.26 -4.97 115.29 120.65 1v27 s HIS 134 Ca -0.00 -3.25 0.00 0.00 0.25 0.00 0.00 55.06 52.06 1v27 s HIS 134 Cb 0.08 -2.85 0.00 0.00 -1.18 0.00 0.00 32.58 28.62 1v27 s HIS 134 CO 0.46 -0.61 0.00 -3.47 -0.65 0.00 0.00 174.74 170.48 1v27 n ASP 135 N 2.16 0.00 0.04 9.88 -0.08 -1.26 -5.09 116.55 122.20 1v27 n ASP 135 Ca 0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1v27 n ASP 135 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 1v27 n ASP 135 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1v27 n SER 136 N 0.00 -0.08 0.00 1.67 2.88 -1.26 -5.08 113.62 111.74 1v27 n SER 136 Ca 0.00 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1v27 n SER 136 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1v27 n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v27 n GLY 137 N 1.44 2.00 3.00 0.46 0.00 -1.26 -4.92 105.19 105.91 1v27 n GLY 137 Ca 0.00 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1v27 n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v27 n PRO 138 N -1.51 2.18 -0.06 1.61 -0.04 -1.26 -4.35 135.00 131.58 1v27 n PRO 138 Ca 0.00 -2.29 -0.11 0.00 -0.04 0.00 0.00 63.50 61.06 1v27 n PRO 138 Cb 0.00 -3.16 -0.04 0.00 -0.04 0.00 0.00 33.50 30.26 1v27 n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v27 n SER 139 N 7.39 1.52 -0.17 3.54 2.88 -1.26 -4.68 113.62 122.83 1v27 n SER 139 Ca 0.50 0.25 -0.09 0.00 -1.33 0.00 0.00 58.87 58.20 1v27 n SER 139 Cb 0.41 -0.58 -0.04 0.00 -0.75 0.00 0.00 64.21 63.25 1v27 n SER 139 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1v27 h SER 140 N -0.65 -1.43 0.00 -3.46 0.87 -2.01 -3.56 113.55 103.30 1v27 h SER 140 Ca -0.17 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1v27 h SER 140 Cb 0.93 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1v27 h SER 140 CO -0.10 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 176.46