#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 -0.42 -0.27 1.61 0.15 -1.26 -5.18 113.70 108.33 1v27 s SER 2 Ca 0.00 0.72 -0.34 0.00 0.70 0.00 0.00 55.95 57.02 1v27 s SER 2 Cb 0.00 0.69 0.17 0.00 -1.71 0.00 0.00 66.02 65.17 1v27 s SER 2 CO 0.00 -0.20 1.34 -0.44 1.20 0.00 0.00 173.24 175.14 1v27 s SER 3 N -0.16 -0.05 0.00 5.45 0.01 -1.26 -5.06 113.70 112.63 1v27 s SER 3 Ca 0.02 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1v27 s SER 3 Cb -0.04 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1v27 s SER 3 CO -0.04 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1v27 n GLY 4 N 0.20 3.91 3.75 3.44 0.00 -1.26 -4.80 105.19 110.43 1v27 n GLY 4 Ca 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 -0.29 0.83 1.61 1.04 -1.25 -5.04 113.70 110.61 1v27 s SER 5 Ca 0.00 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1v27 s SER 5 Cb 0.00 0.64 0.07 0.00 0.10 0.00 0.00 66.02 66.82 1v27 s SER 5 CO 0.00 -1.15 0.15 -1.54 0.98 0.00 0.00 173.24 171.68 1v27 n SER 6 N -0.44 -1.94 -3.66 7.02 3.41 -1.26 -4.74 113.62 112.00 1v27 n SER 6 Ca -0.07 -0.15 -0.10 0.00 -0.26 0.00 0.00 58.87 58.29 1v27 n SER 6 Cb 0.60 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1v27 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1v27 s GLY 7 N -1.69 -0.22 0.00 5.00 0.00 -1.26 -4.68 107.32 104.47 1v27 s GLY 7 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1v27 s GLY 7 CO 0.10 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.46 1v27 n GLY 8 N -0.23 1.05 3.05 0.20 0.00 -1.23 -4.84 105.19 103.19 1v27 n GLY 8 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 2.70 0.43 -0.01 1.61 -0.21 -1.08 -2.33 119.66 120.78 1v27 s GLN 9 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 55.36 54.78 1v27 s GLN 9 Cb 0.00 0.17 -0.00 0.00 1.00 0.00 0.00 33.01 34.17 1v27 s GLN 9 CO 0.00 -0.09 -0.10 -1.17 -2.12 0.00 0.00 175.29 171.81 1v27 s LEU 10 N -1.69 1.95 -0.34 2.90 2.96 -1.05 -1.30 118.68 122.10 1v27 s LEU 10 Ca -0.12 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.46 1v27 s LEU 10 Cb -0.06 -0.55 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 1v27 s LEU 10 CO -0.02 0.11 0.30 -0.44 -1.32 0.00 0.00 176.35 174.99 1v27 s SER 11 N -0.10 6.12 -0.12 3.68 0.01 0.45 -1.36 113.70 122.38 1v27 s SER 11 Ca 0.02 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1v27 s SER 11 Cb -0.06 -2.17 0.02 0.00 0.21 0.00 0.00 66.02 64.03 1v27 s SER 11 CO -0.00 -0.29 -0.12 -0.63 0.41 0.00 0.00 173.24 172.61 1v27 s ILE 12 N 1.88 1.33 -0.36 1.44 1.01 -1.16 -1.61 121.20 123.73 1v27 s ILE 12 Ca 0.09 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 1v27 s ILE 12 Cb -0.17 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 1v27 s ILE 12 CO 0.11 0.41 0.25 -0.75 0.00 0.00 0.00 174.94 174.96 1v27 s LYS 13 N 1.31 3.35 0.03 2.79 2.20 -0.01 -3.86 119.74 125.56 1v27 s LYS 13 Ca -0.01 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 1v27 s LYS 13 Cb -0.14 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1v27 s LYS 13 CO -0.06 -0.52 0.13 -0.51 -0.36 0.00 0.00 175.35 174.03 1v27 s LEU 14 N 1.70 4.05 -0.26 5.43 1.43 -1.26 -1.14 118.68 128.63 1v27 s LEU 14 Ca 0.06 0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.12 1v27 s LEU 14 Cb -0.18 -2.54 0.07 0.00 0.03 0.00 0.00 46.19 43.57 1v27 s LEU 14 CO 0.10 0.22 0.66 0.86 0.23 0.00 0.00 176.35 178.42 1v27 s TRP 15 N -1.34 -0.85 -0.13 0.29 -0.11 -0.59 -3.08 118.94 113.13 1v27 s TRP 15 Ca 0.28 1.89 -0.07 0.00 1.22 0.00 0.00 56.10 59.42 1v27 s TRP 15 Cb -0.12 0.39 -0.04 0.00 -1.50 0.00 0.00 33.47 32.20 1v27 s TRP 15 CO 0.20 -0.42 0.12 0.12 -4.62 0.00 0.00 176.95 172.35 1v27 s PHE 16 N 0.88 3.51 -0.32 5.86 5.36 -1.26 0.80 117.98 132.80 1v27 s PHE 16 Ca -0.04 0.44 -0.04 0.00 -0.96 0.00 0.00 56.93 56.34 1v27 s PHE 16 Cb -0.05 -1.97 0.05 0.00 -0.34 0.00 0.00 43.02 40.71 1v27 s PHE 16 CO -0.07 0.61 0.06 0.34 -1.46 0.00 0.00 175.22 174.70 1v27 s ASP 17 N -0.73 5.08 -0.03 6.13 2.15 0.56 -4.90 116.67 124.93 1v27 s ASP 17 Ca 0.13 -1.29 0.17 0.00 0.43 0.00 0.00 52.55 51.99 1v27 s ASP 17 Cb -0.12 -1.78 -0.20 0.00 -0.30 0.00 0.00 42.92 40.52 1v27 s ASP 17 CO 0.03 -0.31 0.58 2.29 -0.17 0.00 0.00 175.17 177.59 1v27 n LYS 18 N 4.69 0.64 -0.00 4.34 0.00 -1.26 0.21 118.16 126.77 1v27 n LYS 18 Ca -0.12 0.14 -0.08 0.00 -0.00 0.00 0.00 58.31 58.25 1v27 n LYS 18 Cb 0.44 -1.71 -0.05 0.00 -0.00 0.00 0.00 35.03 33.70 1v27 n LYS 18 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1v27 h VAL 19 N 0.00 0.00 -0.04 0.58 -1.51 -1.94 -2.83 116.25 110.51 1v27 h VAL 19 Ca -0.26 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1v27 h VAL 19 Cb 1.77 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1v27 h VAL 19 CO 0.04 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.99 1v27 n GLY 20 N -1.24 0.92 2.43 5.19 0.00 -1.26 -5.00 105.19 106.24 1v27 n GLY 20 Ca -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 1.30 -1.90 -4.00 1.61 -0.00 -0.78 -4.85 115.22 106.59 1v27 n HIS 21 Ca 0.14 0.73 -0.09 0.00 -0.00 0.00 0.00 57.72 58.50 1v27 n HIS 21 Cb 0.57 -3.11 -0.08 0.00 -0.00 0.00 0.00 29.99 27.37 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 -2.80 0.97 -0.21 -0.41 -0.21 0.56 -1.20 119.66 116.34 1v27 s GLN 22 Ca 0.03 -1.20 -0.01 0.00 0.02 0.00 0.00 55.36 54.20 1v27 s GLN 22 Cb -0.01 0.32 0.02 0.00 1.00 0.00 0.00 33.01 34.34 1v27 s GLN 22 CO 0.46 -0.31 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.03 1v27 s LEU 23 N -2.96 2.69 -0.14 2.90 2.96 0.40 0.21 118.68 124.74 1v27 s LEU 23 Ca 0.15 -0.72 -0.21 0.00 -0.22 0.00 0.00 54.13 53.13 1v27 s LEU 23 Cb 0.05 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1v27 s LEU 23 CO -0.03 -0.05 0.60 -0.63 -1.32 0.00 0.00 176.35 174.92 1v27 s ILE 24 N 1.32 5.08 -0.27 6.68 1.09 0.24 0.19 121.20 135.53 1v27 s ILE 24 Ca 0.03 1.19 -0.01 0.00 -1.10 0.00 0.00 60.65 60.76 1v27 s ILE 24 Cb -0.15 -3.93 0.08 0.00 -1.06 0.00 0.00 42.46 37.40 1v27 s ILE 24 CO -0.08 0.21 0.05 -0.69 -0.10 0.00 0.00 174.94 174.33 1v27 s VAL 25 N 1.22 1.03 -0.20 2.92 1.01 0.41 -1.54 120.40 125.25 1v27 s VAL 25 Ca 0.30 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1v27 s VAL 25 Cb -0.16 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1v27 s VAL 25 CO 0.12 -0.45 0.04 -0.89 0.00 0.00 0.00 175.10 173.92 1v27 s THR 26 N 1.58 4.38 -0.79 3.92 2.01 -0.30 -0.31 115.64 126.12 1v27 s THR 26 Ca 0.04 -0.17 -0.15 0.00 0.31 0.00 0.00 61.69 61.72 1v27 s THR 26 Cb -0.18 -2.99 0.19 0.00 0.01 0.00 0.00 72.50 69.54 1v27 s THR 26 CO -0.16 0.42 0.78 -0.63 -0.69 0.00 0.00 174.62 174.34 1v27 s ILE 27 N 0.83 5.41 0.00 1.82 -1.09 -1.11 -0.83 121.20 126.24 1v27 s ILE 27 Ca 0.02 -2.16 0.00 0.00 -2.23 0.00 0.00 60.65 56.28 1v27 s ILE 27 Cb -0.14 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 1v27 s ILE 27 CO 0.02 -1.08 0.00 0.18 -1.23 0.00 0.00 174.94 172.83 1v27 n LEU 28 N 4.59 0.00 -3.69 2.97 4.77 -0.63 0.15 117.00 125.16 1v27 n LEU 28 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 1v27 n LEU 28 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1v27 n LEU 28 CO 0.39 0.00 0.45 -0.83 -1.33 0.00 0.00 177.39 176.07 1v27 s GLY 29 N 0.00 -0.30 0.49 -0.72 0.00 -1.19 0.57 107.32 106.17 1v27 s GLY 29 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 44.72 44.81 1v27 s GLY 29 CO 0.00 0.01 0.58 0.00 0.00 0.00 0.00 173.10 173.68 1v27 s ALA 30 N -3.85 4.47 0.30 3.20 0.00 -0.72 -0.41 121.76 124.76 1v27 s ALA 30 Ca 0.07 -1.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.02 1v27 s ALA 30 Cb -0.04 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.82 1v27 s ALA 30 CO -0.01 -0.50 0.73 -1.59 0.00 0.00 0.00 175.76 174.40 1v27 s LYS 31 N -4.40 1.88 -1.72 0.00 0.00 -0.42 -3.93 119.74 111.16 1v27 s LYS 31 Ca 0.52 -1.09 -0.12 0.00 0.00 0.00 0.00 55.97 55.29 1v27 s LYS 31 Cb -0.06 0.61 0.12 0.00 0.00 0.00 0.00 37.83 38.51 1v27 s LYS 31 CO 0.32 -0.86 0.33 -0.25 0.00 0.00 0.00 175.35 174.89 1v27 n ASP 32 N -0.65 -0.59 -4.77 0.03 9.92 -1.26 -2.62 116.55 116.61 1v27 n ASP 32 Ca -0.05 -1.25 -0.38 0.00 -0.53 0.00 0.00 54.79 52.58 1v27 n ASP 32 Cb 0.59 -1.69 -0.06 0.00 -0.64 0.00 0.00 41.12 39.33 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 -7.31 4.43 -0.92 0.64 1.02 -1.26 -3.58 118.68 111.72 1v27 s LEU 33 Ca 0.43 1.93 -0.24 0.00 0.02 0.00 0.00 54.13 56.27 1v27 s LEU 33 Cb -0.25 -3.87 0.00 0.00 0.02 0.00 0.00 46.19 42.09 1v27 s LEU 33 CO 1.01 -0.04 1.67 -2.16 0.02 0.00 0.00 176.35 176.85 1v27 s PRO 34 N -1.78 3.05 0.00 1.29 0.04 -1.26 -4.96 135.00 131.39 1v27 s PRO 34 Ca 0.48 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1v27 s PRO 34 Cb -0.22 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1v27 s PRO 34 CO 0.28 -2.73 0.00 0.45 0.04 0.00 0.00 177.00 175.04 1v27 n SER 35 N 11.33 -1.44 -2.82 6.66 2.88 -1.26 -5.00 113.62 123.96 1v27 n SER 35 Ca 0.32 -0.09 -0.07 0.00 -1.33 0.00 0.00 58.87 57.71 1v27 n SER 35 Cb 0.49 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.53 1.14 -0.89 -1.46 5.12 -1.26 -5.09 116.66 112.68 1v27 n ARG 36 Ca 0.00 -0.96 -0.37 0.00 -1.93 0.00 0.00 57.85 54.60 1v27 n ARG 36 Cb 0.00 0.05 0.08 0.00 -1.16 0.00 0.00 32.46 31.42 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 -1.04 -0.51 -0.72 5.56 1.02 -1.26 -4.55 120.64 119.15 1v27 n GLU 37 Ca 0.01 -0.14 -0.25 0.00 -0.02 0.00 0.00 57.16 56.76 1v27 n GLU 37 Cb 0.18 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 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 1.81 3.45 0.00 1.62 2.03 -1.26 -4.10 116.55 120.11 1v27 n ASP 38 Ca -0.01 -2.37 0.00 0.00 0.52 0.00 0.00 54.79 52.93 1v27 n ASP 38 Cb 0.70 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 4.04 0.80 3.26 0.27 0.00 -1.26 -5.16 105.19 107.14 1v27 n GLY 39 Ca 0.39 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 46.18 1v27 n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1v27 s ARG 40 N 0.27 1.09 0.00 1.61 3.03 -1.26 -5.13 118.95 118.56 1v27 s ARG 40 Ca 0.00 -1.37 0.00 0.00 2.03 0.00 0.00 55.73 56.39 1v27 s ARG 40 Cb 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 34.95 33.08 1v27 s ARG 40 CO 0.00 0.14 0.00 -0.35 -1.13 0.00 0.00 175.30 173.96 1v27 n PRO 41 N 0.11 0.75 -2.74 3.89 -0.04 -1.26 -4.40 135.00 131.32 1v27 n PRO 41 Ca -0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.27 1v27 n PRO 41 Cb 0.59 0.00 -0.02 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 -0.21 0.46 -3.77 0.54 1.85 -1.26 -4.86 116.66 109.42 1v27 n ARG 42 Ca 0.00 -1.08 -0.35 0.00 -1.00 0.00 0.00 57.85 55.42 1v27 n ARG 42 Cb 0.00 0.74 -0.11 0.00 -1.05 0.00 0.00 32.46 32.04 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 -1.77 5.09 0.62 2.89 0.01 -1.26 -1.38 114.94 119.14 1v27 s ASN 43 Ca 0.10 -2.77 -0.14 0.00 -0.71 0.00 0.00 52.86 49.33 1v27 s ASN 43 Cb 0.00 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.82 1v27 s ASN 43 CO 0.07 -0.37 1.05 -2.16 -1.51 0.00 0.00 177.10 174.18 1v27 s PRO 44 N 0.05 3.26 -0.29 -0.60 0.04 -1.18 -1.37 135.00 134.91 1v27 s PRO 44 Ca 0.16 1.10 -0.18 0.00 0.04 0.00 0.00 61.00 62.12 1v27 s PRO 44 Cb -0.21 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.44 1v27 s PRO 44 CO -0.03 -0.85 0.98 1.52 0.04 0.00 0.00 177.00 178.65 1v27 s TYR 45 N -2.66 -0.57 0.53 0.56 -0.85 -0.71 -2.57 117.35 111.08 1v27 s TYR 45 Ca 0.61 1.19 -0.06 0.00 -0.52 0.00 0.00 57.07 58.29 1v27 s TYR 45 Cb -0.15 0.36 -0.02 0.00 0.38 0.00 0.00 41.96 42.53 1v27 s TYR 45 CO 0.42 -0.28 0.85 0.08 -1.52 0.00 0.00 175.55 175.10 1v27 s VAL 46 N 1.14 4.49 -0.21 -3.49 1.01 -1.26 -2.40 120.40 119.67 1v27 s VAL 46 Ca -0.07 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1v27 s VAL 46 Cb -0.04 -3.74 0.11 0.00 0.00 0.00 0.00 36.38 32.71 1v27 s VAL 46 CO -0.14 -0.77 0.31 -0.75 0.00 0.00 0.00 175.10 173.76 1v27 s LYS 47 N -4.88 0.26 0.19 2.72 2.20 -0.63 -3.57 119.74 116.04 1v27 s LYS 47 Ca 0.50 0.49 -0.09 0.00 -0.36 0.00 0.00 55.97 56.51 1v27 s LYS 47 Cb -0.10 -0.60 -0.07 0.00 -1.51 0.00 0.00 37.83 35.55 1v27 s LYS 47 CO 0.46 -0.57 0.51 0.42 -0.36 0.00 0.00 175.35 175.81 1v27 s ILE 48 N 2.46 4.98 -0.29 5.43 1.01 0.21 -2.62 121.20 132.37 1v27 s ILE 48 Ca 0.08 0.43 0.02 0.00 0.00 0.00 0.00 60.65 61.18 1v27 s ILE 48 Cb -0.15 -3.63 0.16 0.00 0.01 0.00 0.00 42.46 38.85 1v27 s ILE 48 CO -0.13 0.01 0.43 -0.31 0.00 0.00 0.00 174.94 174.94 1v27 s TYR 49 N -1.72 -1.08 -0.86 3.97 2.02 -1.23 -2.95 117.35 115.50 1v27 s TYR 49 Ca 0.44 0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 57.26 1v27 s TYR 49 Cb -0.12 -0.12 -0.10 0.00 -0.40 0.00 0.00 41.96 41.23 1v27 s TYR 49 CO 0.21 -1.00 2.17 0.12 -1.57 0.00 0.00 175.55 175.48 1v27 s PHE 50 N 2.55 1.48 0.72 2.71 2.19 -1.22 -2.87 117.98 123.54 1v27 s PHE 50 Ca 0.10 1.32 -0.16 0.00 0.33 0.00 0.00 56.93 58.52 1v27 s PHE 50 Cb -0.12 -3.73 0.03 0.00 -1.31 0.00 0.00 43.02 37.88 1v27 s PHE 50 CO -0.30 -1.61 1.20 1.28 1.83 0.00 0.00 175.22 177.62 1v27 n LEU 51 N 16.39 4.97 0.23 6.12 4.77 0.42 -1.51 117.00 148.39 1v27 n LEU 51 Ca 0.43 0.71 0.13 0.00 -0.03 0.00 0.00 56.01 57.25 1v27 n LEU 51 Cb 0.45 -1.51 0.39 0.00 -2.33 0.00 0.00 43.42 40.42 1v27 n LEU 51 CO 0.57 -1.45 0.84 1.55 -1.33 0.00 0.00 177.39 177.57 1v27 h PRO 52 N -0.15 0.00 -6.02 3.23 0.13 -1.85 -3.08 132.00 124.26 1v27 h PRO 52 Ca -0.49 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.95 1v27 h PRO 52 Cb 1.32 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.55 1v27 h PRO 52 CO 0.49 0.09 -0.34 -0.25 -0.23 0.00 0.00 178.00 177.76 1v27 n ASP 53 N -3.16 -0.80 -2.94 1.44 9.92 -0.57 -4.94 116.55 115.50 1v27 n ASP 53 Ca 0.02 1.14 0.02 0.00 -0.53 0.00 0.00 54.79 55.44 1v27 n ASP 53 Cb 0.45 -0.96 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 1v27 n ASP 53 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1v27 s ARG 54 N -0.75 0.40 0.00 -1.24 0.52 -1.26 -3.98 118.95 112.63 1v27 s ARG 54 Ca 0.71 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.82 1v27 s ARG 54 Cb -1.01 0.05 0.00 0.00 0.52 0.00 0.00 34.95 34.52 1v27 s ARG 54 CO 0.56 -0.58 0.00 0.45 0.02 0.00 0.00 175.30 175.75 1v27 n SER 55 N 4.05 0.00 0.00 0.23 2.88 -1.26 -5.06 113.62 114.45 1v27 n SER 55 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1v27 n SER 55 Cb 0.61 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1v27 n SER 55 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1v27 n ASP 56 N -1.83 0.00 -0.40 -3.46 -0.08 -1.26 -4.83 116.55 104.69 1v27 n ASP 56 Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 1v27 n ASP 56 Cb 0.00 0.23 -0.03 0.00 2.34 0.00 0.00 41.12 43.66 1v27 n ASP 56 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1v27 h LYS 57 N 0.00 -0.00 -2.02 -0.67 3.64 -2.01 0.13 116.57 115.64 1v27 h LYS 57 Ca 0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 1v27 h LYS 57 Cb 0.00 0.00 -0.37 0.00 -0.41 0.00 0.00 32.23 31.45 1v27 h LYS 57 CO 0.00 -0.00 -0.07 0.09 -2.27 0.00 0.00 179.45 177.19 1v27 n ASN 58 N -5.36 5.59 -3.99 4.20 3.02 -1.26 -4.90 115.26 112.56 1v27 n ASN 58 Ca 0.06 -3.72 -0.32 0.00 -0.03 0.00 0.00 54.58 50.57 1v27 n ASN 58 Cb 0.33 -0.73 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.76 2.54 -0.27 3.52 2.20 0.03 -3.37 119.74 120.63 1v27 s LYS 59 Ca 0.47 -3.03 -0.22 0.00 -0.36 0.00 0.00 55.97 52.83 1v27 s LYS 59 Cb 0.32 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 1v27 s LYS 59 CO -0.19 -1.22 0.69 1.03 -0.36 0.00 0.00 175.35 175.30 1v27 s ARG 60 N -0.94 4.06 -0.01 4.03 1.81 -1.15 -4.95 118.95 121.80 1v27 s ARG 60 Ca 0.22 0.58 0.02 0.00 -1.72 0.00 0.00 55.73 54.83 1v27 s ARG 60 Cb -0.13 -3.68 -0.00 0.00 -0.45 0.00 0.00 34.95 30.69 1v27 s ARG 60 CO -0.10 -0.50 -0.07 0.50 -0.68 0.00 0.00 175.30 174.45 1v27 s ARG 61 N 2.66 0.67 0.73 3.54 3.52 -1.26 0.63 118.95 129.44 1v27 s ARG 61 Ca 0.29 -0.26 -0.09 0.00 -0.13 0.00 0.00 55.73 55.54 1v27 s ARG 61 Cb -0.15 -0.65 0.06 0.00 -1.56 0.00 0.00 34.95 32.65 1v27 s ARG 61 CO 0.09 0.14 1.07 0.95 -0.81 0.00 0.00 175.30 176.74 1v27 s THR 62 N -0.04 2.40 0.50 4.11 -4.23 -1.23 -5.02 115.64 112.11 1v27 s THR 62 Ca 0.01 -0.09 -0.23 0.00 -1.18 0.00 0.00 61.69 60.20 1v27 s THR 62 Cb -0.05 -3.08 -0.06 0.00 1.34 0.00 0.00 72.50 70.65 1v27 s THR 62 CO -0.00 -0.09 1.29 -1.59 -0.54 0.00 0.00 174.62 173.68 1v27 s LYS 63 N -5.35 3.47 -0.30 3.99 -2.85 -1.26 -4.77 119.74 112.67 1v27 s LYS 63 Ca 0.60 2.08 -0.28 0.00 -1.00 0.00 0.00 55.97 57.37 1v27 s LYS 63 Cb -0.11 -2.39 0.01 0.00 -2.06 0.00 0.00 37.83 33.29 1v27 s LYS 63 CO 0.47 -0.87 1.02 0.99 0.10 0.00 0.00 175.35 177.06 1v27 s THR 64 N -1.38 4.58 0.17 3.79 2.01 -1.26 -4.82 115.64 118.73 1v27 s THR 64 Ca 0.67 1.69 -0.19 0.00 0.31 0.00 0.00 61.69 64.17 1v27 s THR 64 Cb -0.36 -4.36 -0.08 0.00 0.01 0.00 0.00 72.50 67.71 1v27 s THR 64 CO 0.44 -0.40 0.67 -0.69 -0.69 0.00 0.00 174.62 173.95 1v27 s VAL 65 N 3.47 4.63 -0.11 3.82 1.01 -1.06 -5.02 120.40 127.14 1v27 s VAL 65 Ca 0.43 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.63 1v27 s VAL 65 Cb -0.13 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1v27 s VAL 65 CO 0.13 0.33 -0.01 -0.54 0.00 0.00 0.00 175.10 175.01 1v27 s LYS 66 N -1.68 3.21 -0.12 2.72 -0.14 -1.26 -3.12 119.74 119.34 1v27 s LYS 66 Ca 0.38 -0.45 -0.10 0.00 -1.36 0.00 0.00 55.97 54.44 1v27 s LYS 66 Cb -0.18 -2.83 0.01 0.00 -1.68 0.00 0.00 37.83 33.16 1v27 s LYS 66 CO 0.21 0.54 0.17 1.63 -0.76 0.00 0.00 175.35 177.14 1v27 n LYS 67 N 2.62 -0.77 -3.15 1.68 5.02 -0.48 -4.95 118.16 118.13 1v27 n LYS 67 Ca -0.18 0.99 0.06 0.00 -2.02 0.00 0.00 58.31 57.16 1v27 n LYS 67 Cb 0.53 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 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 -1.14 -0.06 -0.52 -0.18 -1.32 -1.12 -4.96 115.64 106.33 1v27 s THR 68 Ca 0.10 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.83 1v27 s THR 68 Cb -0.01 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.29 1v27 s THR 68 CO 0.24 0.00 1.74 -0.07 -2.21 0.00 0.00 174.62 174.32 1v27 h LEU 69 N 7.94 0.00 -6.93 9.08 3.38 -1.94 -3.37 115.31 123.47 1v27 h LEU 69 Ca -0.10 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.25 1v27 h LEU 69 Cb 1.18 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.51 1v27 h LEU 69 CO -0.22 0.00 -0.66 -1.61 0.09 0.00 0.00 178.44 176.05 1v27 s GLU 70 N -3.22 2.13 0.42 1.13 2.02 -1.26 -4.04 118.70 115.88 1v27 s GLU 70 Ca 0.08 -3.08 -0.23 0.00 0.02 0.00 0.00 54.97 51.75 1v27 s GLU 70 Cb 0.09 -3.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.24 1v27 s GLU 70 CO 0.59 -1.31 1.05 -1.25 0.02 0.00 0.00 175.26 174.36 1v27 s PRO 71 N -1.13 4.07 -0.38 0.39 0.04 -1.25 -4.82 135.00 131.91 1v27 s PRO 71 Ca 0.26 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.80 1v27 s PRO 71 Cb -0.03 -2.44 0.12 0.00 0.04 0.00 0.00 34.50 32.19 1v27 s PRO 71 CO -0.17 -0.22 0.18 0.15 0.04 0.00 0.00 177.00 176.98 1v27 s LYS 72 N -2.66 1.06 -0.11 4.56 1.02 -1.26 -1.75 119.74 120.59 1v27 s LYS 72 Ca 0.60 -1.64 -0.13 0.00 0.02 0.00 0.00 55.97 54.82 1v27 s LYS 72 Cb -0.21 -2.22 -0.26 0.00 -0.52 0.00 0.00 37.83 34.62 1v27 s LYS 72 CO 0.26 -1.09 0.46 -1.49 -0.92 0.00 0.00 175.35 172.57 1v27 h TRP 73 N 7.27 0.44 -6.72 3.18 6.55 0.06 -3.47 115.95 123.27 1v27 h TRP 73 Ca -0.05 -0.32 -0.55 0.00 0.95 0.00 0.00 58.89 58.91 1v27 h TRP 73 Cb 0.97 -0.02 -0.34 0.00 -0.86 0.00 0.00 29.16 28.91 1v27 h TRP 73 CO 0.44 1.65 -0.80 0.09 -1.05 0.00 0.00 178.44 178.76 1v27 n ASN 74 N -3.79 -1.50 -4.50 -3.49 4.13 0.41 -4.87 115.26 101.66 1v27 n ASN 74 Ca -0.28 -1.10 -0.26 0.00 1.68 0.00 0.00 54.58 54.62 1v27 n ASN 74 Cb 0.95 -1.41 0.13 0.00 -1.54 0.00 0.00 39.78 37.91 1v27 n ASN 74 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1v27 s GLN 75 N -6.52 1.33 -0.04 3.52 -1.52 -1.16 -4.85 119.66 110.42 1v27 s GLN 75 Ca 0.71 -0.88 0.02 0.00 -1.95 0.00 0.00 55.36 53.26 1v27 s GLN 75 Cb -0.41 -2.17 0.01 0.00 -0.22 0.00 0.00 33.01 30.22 1v27 s GLN 75 CO 0.91 -1.77 -0.09 0.99 -0.25 0.00 0.00 175.29 175.08 1v27 s THR 76 N -3.39 0.80 -0.16 -0.19 2.01 -1.26 -2.73 115.64 110.71 1v27 s THR 76 Ca 0.69 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 1v27 s THR 76 Cb -0.05 -0.73 0.05 0.00 0.01 0.00 0.00 72.50 71.78 1v27 s THR 76 CO 0.47 0.26 0.03 -0.36 -0.69 0.00 0.00 174.62 174.33 1v27 s PHE 77 N 0.43 0.88 -0.17 4.92 0.08 0.57 -4.95 117.98 119.75 1v27 s PHE 77 Ca -0.07 -0.62 -0.15 0.00 0.12 0.00 0.00 56.93 56.21 1v27 s PHE 77 Cb -0.11 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 1v27 s PHE 77 CO 0.01 -0.52 0.34 0.42 -0.10 0.00 0.00 175.22 175.37 1v27 s ILE 78 N 1.91 5.27 -0.25 0.64 1.01 -1.25 0.15 121.20 128.67 1v27 s ILE 78 Ca 0.01 0.63 -0.01 0.00 0.00 0.00 0.00 60.65 61.29 1v27 s ILE 78 Cb -0.16 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.67 1v27 s ILE 78 CO -0.07 0.34 -0.07 -0.31 0.00 0.00 0.00 174.94 174.83 1v27 s TYR 79 N 0.72 3.10 0.09 3.97 2.02 0.51 -4.85 117.35 122.91 1v27 s TYR 79 Ca 0.18 -1.71 -0.08 0.00 -0.37 0.00 0.00 57.07 55.09 1v27 s TYR 79 Cb -0.14 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.38 1v27 s TYR 79 CO 0.06 -0.77 0.17 -1.54 -1.57 0.00 0.00 175.55 171.90 1v27 s SER 80 N 1.28 0.16 0.35 2.29 1.04 -1.26 0.15 113.70 117.71 1v27 s SER 80 Ca -0.02 -0.70 -0.26 0.00 0.48 0.00 0.00 55.95 55.45 1v27 s SER 80 Cb -0.17 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.18 1v27 s SER 80 CO -0.05 -0.72 1.06 -2.16 0.98 0.00 0.00 173.24 172.36 1v27 s PRO 81 N -3.87 4.38 -0.04 4.02 0.04 -1.26 -5.06 135.00 133.21 1v27 s PRO 81 Ca 0.05 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1v27 s PRO 81 Cb 0.05 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.79 1v27 s PRO 81 CO -0.11 0.02 -0.02 0.08 0.04 0.00 0.00 177.00 177.01 1v27 s VAL 82 N -1.44 0.39 0.41 -0.36 1.01 -0.34 -4.97 120.40 115.10 1v27 s VAL 82 Ca 0.52 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.55 1v27 s VAL 82 Cb -0.26 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1v27 s VAL 82 CO 0.33 0.20 0.23 -1.00 0.00 0.00 0.00 175.10 174.86 1v27 s HIS 83 N 1.07 2.64 0.08 5.22 3.76 -1.26 -3.48 115.29 123.31 1v27 s HIS 83 Ca -0.09 -0.55 -0.04 0.00 -0.15 0.00 0.00 55.06 54.23 1v27 s HIS 83 Cb -0.14 -2.00 -0.28 0.00 1.11 0.00 0.00 32.58 31.27 1v27 s HIS 83 CO -0.01 0.11 1.15 -0.09 -0.85 0.00 0.00 174.74 175.05 1v27 h ARG 84 N 1.32 0.27 0.00 1.40 9.65 -1.99 -3.18 114.38 121.85 1v27 h ARG 84 Ca -0.42 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.00 1v27 h ARG 84 Cb 1.26 0.17 0.00 0.00 -1.39 0.00 0.00 29.97 30.00 1v27 h ARG 84 CO 0.66 1.21 -0.08 2.89 2.80 0.00 0.00 179.97 187.46 1v27 n ARG 85 N -3.53 0.06 0.00 0.20 0.00 -1.26 -2.87 116.66 109.26 1v27 n ARG 85 Ca -0.08 0.04 0.14 0.00 -0.00 0.00 0.00 57.85 57.95 1v27 n ARG 85 Cb 1.02 -1.56 0.60 0.00 -0.00 0.00 0.00 32.46 32.52 1v27 n ARG 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1v27 n GLU 86 N -1.66 0.86 -0.07 2.89 -0.58 -1.20 -3.70 120.64 117.18 1v27 n GLU 86 Ca 0.06 -0.33 -0.06 0.00 -0.42 0.00 0.00 57.16 56.41 1v27 n GLU 86 Cb 0.36 -1.49 0.12 0.00 -0.57 0.00 0.00 31.44 29.86 1v27 n GLU 86 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1v27 h PHE 87 N 0.81 0.80 -0.23 -0.32 -1.00 -1.61 -2.62 116.94 112.77 1v27 h PHE 87 Ca 0.00 -0.17 -0.15 0.00 2.81 0.00 0.00 57.97 60.46 1v27 h PHE 87 Cb 0.36 -0.20 -0.07 0.00 3.61 0.00 0.00 35.95 39.66 1v27 h PHE 87 CO 0.00 0.86 0.19 2.89 -1.61 0.00 0.00 178.31 180.64 1v27 n ARG 88 N -4.12 1.37 0.00 1.51 1.85 -1.24 -3.27 116.66 112.75 1v27 n ARG 88 Ca 0.00 -0.74 0.00 0.00 -1.00 0.00 0.00 57.85 56.11 1v27 n ARG 88 Cb 0.41 -1.29 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 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 0.85 0.00 -4.26 2.89 1.02 -1.07 -5.09 120.64 114.97 1v27 n GLU 89 Ca 0.14 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.03 1v27 n GLU 89 Cb 0.56 -0.26 -0.17 0.00 -0.02 0.00 0.00 31.44 31.56 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 -1.00 1.53 0.17 3.49 3.00 -1.01 -4.73 118.95 120.40 1v27 s ARG 90 Ca 0.00 -0.31 0.09 0.00 0.00 0.00 0.00 55.73 55.51 1v27 s ARG 90 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 34.95 33.50 1v27 s ARG 90 CO 0.00 -0.10 -0.14 1.41 0.00 0.00 0.00 175.30 176.46 1v27 s MET 91 N 1.12 1.89 0.08 3.54 -2.45 -1.16 -4.27 119.30 118.04 1v27 s MET 91 Ca -0.06 -1.29 -0.10 0.00 -1.25 0.00 0.00 55.69 52.98 1v27 s MET 91 Cb -0.14 -2.09 -0.06 0.00 1.25 0.00 0.00 34.83 33.79 1v27 s MET 91 CO -0.01 0.44 0.41 -0.51 1.05 0.00 0.00 175.02 176.39 1v27 s LEU 92 N -2.63 4.36 -0.37 4.11 2.01 -0.70 -0.44 118.68 125.02 1v27 s LEU 92 Ca 0.22 0.82 0.00 0.00 0.01 0.00 0.00 54.13 55.18 1v27 s LEU 92 Cb -0.09 -2.97 0.13 0.00 0.01 0.00 0.00 46.19 43.27 1v27 s LEU 92 CO 0.13 0.18 0.19 -0.70 1.01 0.00 0.00 176.35 177.16 1v27 s GLU 93 N -1.86 0.85 0.09 1.70 2.12 -1.14 -2.12 118.70 118.34 1v27 s GLU 93 Ca 0.33 -1.49 -0.20 0.00 0.36 0.00 0.00 54.97 53.97 1v27 s GLU 93 Cb -0.14 -1.86 -0.07 0.00 0.26 0.00 0.00 34.13 32.33 1v27 s GLU 93 CO 0.18 -1.13 0.59 0.42 -0.54 0.00 0.00 175.26 174.78 1v27 s ILE 94 N 0.98 4.71 0.01 -3.70 1.09 0.46 -3.47 121.20 121.29 1v27 s ILE 94 Ca 0.15 1.24 -0.05 0.00 -1.10 0.00 0.00 60.65 60.89 1v27 s ILE 94 Cb -0.22 -3.91 -0.01 0.00 -1.06 0.00 0.00 42.46 37.27 1v27 s ILE 94 CO -0.08 0.53 0.09 0.42 -0.10 0.00 0.00 174.94 175.80 1v27 s THR 95 N -1.14 0.10 -0.07 2.92 -4.23 -1.08 0.19 115.64 112.34 1v27 s THR 95 Ca 0.30 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1v27 s THR 95 Cb -0.20 -0.49 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 1v27 s THR 95 CO 0.20 -0.46 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.46 1v27 s LEU 96 N -1.57 2.76 0.15 4.79 2.96 -1.01 -1.60 118.68 125.17 1v27 s LEU 96 Ca -0.13 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1v27 s LEU 96 Cb -0.07 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1v27 s LEU 96 CO -0.00 0.30 0.17 0.26 -1.32 0.00 0.00 176.35 175.76 1v27 s TRP 97 N -0.46 0.64 -0.10 5.38 0.52 -1.01 -1.09 118.94 122.82 1v27 s TRP 97 Ca 0.06 -1.01 0.04 0.00 0.02 0.00 0.00 56.10 55.20 1v27 s TRP 97 Cb -0.12 -0.27 0.00 0.00 -1.15 0.00 0.00 33.47 31.93 1v27 s TRP 97 CO 0.02 -0.63 -0.22 0.34 0.02 0.00 0.00 176.95 176.48 1v27 s ASP 98 N -3.01 2.94 -0.68 2.95 2.15 -0.73 -1.74 116.67 118.56 1v27 s ASP 98 Ca 0.21 -0.54 -0.27 0.00 0.43 0.00 0.00 52.55 52.38 1v27 s ASP 98 Cb 0.05 -1.35 0.03 0.00 -0.30 0.00 0.00 42.92 41.35 1v27 s ASP 98 CO 0.01 0.13 1.27 -1.58 -0.17 0.00 0.00 175.17 174.83 1v27 s GLN 99 N 0.47 3.29 0.71 4.34 0.74 -0.47 -2.70 119.66 126.03 1v27 s GLN 99 Ca -0.16 -0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.24 1v27 s GLN 99 Cb -0.17 -4.13 0.13 0.00 1.10 0.00 0.00 33.01 29.94 1v27 s GLN 99 CO 0.06 -2.00 0.97 0.00 -0.55 0.00 0.00 175.29 173.78 1v27 s ALA 100 N 5.57 4.01 0.61 1.58 0.00 -1.06 -4.44 121.76 128.03 1v27 s ALA 100 Ca 0.39 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1v27 s ALA 100 Cb -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1v27 s ALA 100 CO 0.19 -1.41 0.00 0.54 0.00 0.00 0.00 175.76 175.08 1v27 n ARG 101 N -2.74 -3.94 -0.26 0.00 5.12 -1.26 -4.49 116.66 109.09 1v27 n ARG 101 Ca 0.17 3.11 0.01 0.00 -1.93 0.00 0.00 57.85 59.20 1v27 n ARG 101 Cb 0.61 -4.05 0.23 0.00 -1.16 0.00 0.00 32.46 28.09 1v27 n ARG 101 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 1v27 h VAL 102 N -0.35 1.17 -2.70 1.55 -1.51 -1.98 -3.42 116.25 109.01 1v27 h VAL 102 Ca -0.07 -0.37 -0.61 0.00 -1.23 0.00 0.00 66.70 64.43 1v27 h VAL 102 Cb 1.12 0.01 -0.14 0.00 -2.13 0.00 0.00 31.29 30.15 1v27 h VAL 102 CO 0.03 0.20 -0.72 -0.13 -1.23 0.00 0.00 177.57 175.71 1v27 s ARG 103 N -5.90 1.98 0.09 5.19 0.52 -1.26 -5.08 118.95 114.48 1v27 s ARG 103 Ca -0.11 -1.43 -0.31 0.00 -0.52 0.00 0.00 55.73 53.36 1v27 s ARG 103 Cb 0.18 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 1v27 s ARG 103 CO 0.79 0.39 1.74 -1.83 0.02 0.00 0.00 175.30 176.42 1v27 s GLU 104 N -3.13 4.17 0.07 3.54 -1.05 -1.26 -4.46 118.70 116.58 1v27 s GLU 104 Ca 0.27 2.45 0.00 0.00 -0.15 0.00 0.00 54.97 57.54 1v27 s GLU 104 Cb -0.07 -3.64 0.00 0.00 -0.44 0.00 0.00 34.13 29.98 1v27 s GLU 104 CO 0.16 -0.79 0.00 -1.91 0.95 0.00 0.00 175.26 173.66 1v27 n GLU 105 N 5.78 0.00 -3.44 -4.83 2.13 -1.26 -5.09 120.64 113.93 1v27 n GLU 105 Ca 0.17 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.55 1v27 n GLU 105 Cb 0.40 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.02 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 -2.00 2.89 -0.18 5.31 2.02 -1.26 -5.04 118.70 120.44 1v27 s GLU 106 Ca 0.00 -1.38 -0.01 0.00 0.02 0.00 0.00 54.97 53.61 1v27 s GLU 106 Cb 0.00 -4.05 0.00 0.00 0.10 0.00 0.00 34.13 30.18 1v27 s GLU 106 CO 0.00 -1.01 -0.14 -1.12 0.02 0.00 0.00 175.26 173.01 1v27 s SER 107 N 2.48 3.69 0.28 -0.19 0.01 -1.26 -2.57 113.70 116.14 1v27 s SER 107 Ca 0.04 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 56.71 1v27 s SER 107 Cb -0.24 -1.58 -0.07 0.00 0.21 0.00 0.00 66.02 64.34 1v27 s SER 107 CO 0.06 0.04 0.61 -1.83 0.41 0.00 0.00 173.24 172.53 1v27 s GLU 108 N 1.08 3.79 -0.25 12.44 -1.05 -1.10 -4.92 118.70 128.69 1v27 s GLU 108 Ca -0.00 0.30 -0.12 0.00 -0.15 0.00 0.00 54.97 55.00 1v27 s GLU 108 Cb -0.14 -2.58 -0.05 0.00 -0.44 0.00 0.00 34.13 30.92 1v27 s GLU 108 CO -0.04 0.22 0.22 0.12 0.95 0.00 0.00 175.26 176.73 1v27 s PHE 109 N -1.98 3.28 -0.13 4.83 5.36 -1.26 -1.77 117.98 126.31 1v27 s PHE 109 Ca 0.48 0.26 -0.19 0.00 -0.96 0.00 0.00 56.93 56.52 1v27 s PHE 109 Cb -0.11 -2.38 -0.25 0.00 -0.34 0.00 0.00 43.02 39.94 1v27 s PHE 109 CO 0.24 -0.06 0.52 -0.07 -1.46 0.00 0.00 175.22 174.39 1v27 h LEU 110 N 7.97 0.25 0.00 6.12 3.38 -1.42 -3.31 115.31 128.30 1v27 h LEU 110 Ca -0.36 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 56.81 1v27 h LEU 110 Cb 1.17 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1v27 h LEU 110 CO 0.62 1.51 0.00 0.61 0.09 0.00 0.00 178.44 181.27 1v27 n GLY 111 N 1.66 0.63 3.18 0.83 0.00 -1.14 -4.24 105.19 106.11 1v27 n GLY 111 Ca -0.24 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.82 0.43 -0.23 1.61 -1.05 -1.17 -2.40 118.70 114.07 1v27 s GLU 112 Ca 0.00 0.16 -0.00 0.00 -0.15 0.00 0.00 54.97 54.98 1v27 s GLU 112 Cb 0.00 0.20 0.06 0.00 -0.44 0.00 0.00 34.13 33.95 1v27 s GLU 112 CO 0.00 -0.08 -0.02 0.42 0.95 0.00 0.00 175.26 176.53 1v27 s ILE 113 N -0.37 1.17 -0.19 1.83 1.01 0.51 -2.82 121.20 122.34 1v27 s ILE 113 Ca -0.05 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.46 1v27 s ILE 113 Cb -0.03 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 1v27 s ILE 113 CO 0.01 -0.17 0.20 -0.76 0.00 0.00 0.00 174.94 174.23 1v27 s LEU 114 N 1.55 4.21 -0.05 2.97 2.01 -1.26 -0.40 118.68 127.72 1v27 s LEU 114 Ca -0.03 0.33 -0.01 0.00 0.01 0.00 0.00 54.13 54.43 1v27 s LEU 114 Cb -0.18 -2.21 0.03 0.00 0.01 0.00 0.00 46.19 43.83 1v27 s LEU 114 CO -0.08 0.13 0.01 -0.63 1.01 0.00 0.00 176.35 176.80 1v27 s ILE 115 N 0.50 0.19 -0.16 -0.59 1.01 -0.90 -5.01 121.20 116.23 1v27 s ILE 115 Ca 0.11 0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.74 1v27 s ILE 115 Cb -0.12 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 1v27 s ILE 115 CO 0.01 0.20 0.60 -1.61 0.00 0.00 0.00 174.94 174.13 1v27 s GLU 116 N 1.63 4.28 0.30 2.79 2.02 -1.26 -1.71 118.70 126.74 1v27 s GLU 116 Ca -0.01 0.60 0.02 0.00 0.02 0.00 0.00 54.97 55.60 1v27 s GLU 116 Cb -0.13 -3.52 0.59 0.00 0.10 0.00 0.00 34.13 31.17 1v27 s GLU 116 CO -0.03 -0.09 1.85 -0.07 0.02 0.00 0.00 175.26 176.94 1v27 h LEU 117 N 7.60 0.89 -0.01 1.80 3.38 -1.76 2.33 115.31 129.55 1v27 h LEU 117 Ca -0.35 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1v27 h LEU 117 Cb 1.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1v27 h LEU 117 CO 0.76 0.48 -0.12 -0.08 0.09 0.00 0.00 178.44 179.58 1v27 h GLU 118 N 0.96 -0.19 -0.68 1.13 4.57 -1.86 -2.56 114.58 115.95 1v27 h GLU 118 Ca 0.48 0.01 -0.38 0.00 -1.18 0.00 0.00 59.36 58.29 1v27 h GLU 118 Cb 0.48 0.04 -0.22 0.00 -0.16 0.00 0.00 28.75 28.90 1v27 h GLU 118 CO -0.24 -0.12 0.24 0.25 -1.18 0.00 0.00 179.01 177.96 1v27 n THR 119 N -5.25 2.91 -2.03 0.32 -2.24 -0.53 -5.00 114.28 102.46 1v27 n THR 119 Ca -0.05 -2.56 -0.32 0.00 -2.27 0.00 0.00 64.05 58.85 1v27 n THR 119 Cb 0.17 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.35 2.94 -0.81 6.98 0.00 0.77 -4.70 121.76 123.60 1v27 s ALA 120 Ca 0.52 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1v27 s ALA 120 Cb 0.45 -3.14 0.21 0.00 0.00 0.00 0.00 23.12 20.63 1v27 s ALA 120 CO 0.04 -0.66 0.76 -0.51 0.00 0.00 0.00 175.76 175.39 1v27 s LEU 121 N -4.74 6.65 -0.27 0.00 1.43 -1.26 -5.00 118.68 115.50 1v27 s LEU 121 Ca 0.59 -2.60 -0.08 0.00 -1.03 0.00 0.00 54.13 51.01 1v27 s LEU 121 Cb -0.12 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1v27 s LEU 121 CO 0.43 -0.61 0.11 -0.76 0.23 0.00 0.00 176.35 175.74 1v27 s LEU 122 N 0.37 3.72 -0.04 1.79 1.43 -1.26 -4.31 118.68 120.38 1v27 s LEU 122 Ca 0.17 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1v27 s LEU 122 Cb -0.11 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.19 1v27 s LEU 122 CO -0.08 -0.09 0.51 -0.67 0.23 0.00 0.00 176.35 176.25 1v27 n ASP 123 N 4.95 -0.26 -2.63 2.29 -0.08 -1.18 -4.91 116.55 114.73 1v27 n ASP 123 Ca -0.15 -0.91 -0.05 0.00 -1.51 0.00 0.00 54.79 52.16 1v27 n ASP 123 Cb 0.51 0.11 -0.01 0.00 2.34 0.00 0.00 41.12 44.06 1v27 n ASP 123 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1v27 n ASP 124 N -0.19 -1.04 -4.36 1.67 8.00 -1.18 -4.85 116.55 114.60 1v27 n ASP 124 Ca -0.04 0.26 -0.33 0.00 0.71 0.00 0.00 54.79 55.38 1v27 n ASP 124 Cb 0.48 -1.01 -0.15 0.00 -0.02 0.00 0.00 41.12 40.43 1v27 n ASP 124 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1v27 s GLU 125 N -4.97 3.36 -0.00 -1.24 2.02 -1.26 -5.03 118.70 111.59 1v27 s GLU 125 Ca 0.10 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 54.09 1v27 s GLU 125 Cb -0.06 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 1v27 s GLU 125 CO 0.12 0.21 1.19 -1.25 0.02 0.00 0.00 175.26 175.55 1v27 s PRO 126 N 0.37 4.40 -0.00 0.39 0.04 -1.26 -4.51 135.00 134.42 1v27 s PRO 126 Ca -0.11 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.70 1v27 s PRO 126 Cb -0.16 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1v27 s PRO 126 CO 0.06 -0.35 -0.19 -1.01 0.04 0.00 0.00 177.00 175.55 1v27 s HIS 127 N 1.66 1.70 -0.51 0.56 3.76 -1.25 -5.02 115.29 116.20 1v27 s HIS 127 Ca 0.57 -0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 54.94 1v27 s HIS 127 Cb -0.27 -1.08 0.05 0.00 1.11 0.00 0.00 32.58 32.40 1v27 s HIS 127 CO 0.26 -0.00 0.70 -1.58 -0.85 0.00 0.00 174.74 173.27 1v27 s TRP 128 N -0.54 2.99 -0.36 1.40 0.52 -1.26 -2.96 118.94 118.73 1v27 s TRP 128 Ca 0.07 -0.38 -0.17 0.00 0.02 0.00 0.00 56.10 55.64 1v27 s TRP 128 Cb -0.08 -3.65 -0.00 0.00 -1.15 0.00 0.00 33.47 28.59 1v27 s TRP 128 CO -0.00 -1.10 0.46 0.71 0.02 0.00 0.00 176.95 177.04 1v27 s TYR 129 N 2.95 3.19 0.39 -1.98 2.02 -0.47 -4.90 117.35 118.55 1v27 s TYR 129 Ca 0.19 0.03 -0.28 0.00 -0.37 0.00 0.00 57.07 56.65 1v27 s TYR 129 Cb -0.17 -2.84 -0.10 0.00 -0.40 0.00 0.00 41.96 38.44 1v27 s TYR 129 CO 0.14 -0.53 1.45 0.15 -1.57 0.00 0.00 175.55 175.19 1v27 s LYS 130 N 2.24 4.05 0.18 -0.62 1.02 -1.26 -2.54 119.74 122.82 1v27 s LYS 130 Ca 0.16 2.49 -0.19 0.00 0.02 0.00 0.00 55.97 58.45 1v27 s LYS 130 Cb -0.16 -2.91 -0.08 0.00 -0.52 0.00 0.00 37.83 34.16 1v27 s LYS 130 CO 0.13 -0.55 0.66 -0.51 -0.92 0.00 0.00 175.35 174.16 1v27 s LEU 131 N -2.19 4.38 -0.21 3.17 1.43 -0.98 -4.89 118.68 119.39 1v27 s LEU 131 Ca 0.54 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1v27 s LEU 131 Cb -0.45 -3.40 0.04 0.00 0.03 0.00 0.00 46.19 42.41 1v27 s LEU 131 CO 0.60 0.09 -0.16 0.00 0.23 0.00 0.00 176.35 177.11 1v27 s GLN 132 N -1.81 2.68 -0.29 1.70 -2.07 -1.13 -4.80 119.66 113.94 1v27 s GLN 132 Ca 0.39 -1.03 -0.10 0.00 -1.82 0.00 0.00 55.36 52.81 1v27 s GLN 132 Cb -0.17 -2.69 -0.03 0.00 -1.09 0.00 0.00 33.01 29.04 1v27 s GLN 132 CO 0.21 -0.35 0.14 0.95 -1.32 0.00 0.00 175.29 174.92 1v27 s THR 133 N 1.22 4.75 -0.71 3.63 -4.23 -1.26 -3.05 115.64 115.99 1v27 s THR 133 Ca -0.00 -0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.30 1v27 s THR 133 Cb -0.16 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 1v27 s THR 133 CO -0.10 0.19 0.64 1.41 -0.54 0.00 0.00 174.62 176.22 1v27 n HIS 134 N 4.99 -2.08 -3.03 3.99 8.25 -1.26 -5.03 115.22 121.05 1v27 n HIS 134 Ca -0.14 0.76 0.03 0.00 -0.26 0.00 0.00 57.72 58.11 1v27 n HIS 134 Cb 0.51 -3.67 0.00 0.00 1.12 0.00 0.00 29.99 27.95 1v27 n HIS 134 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1v27 s ASP 135 N -3.08 -0.68 0.36 0.41 -1.08 -1.26 -5.04 116.67 106.30 1v27 s ASP 135 Ca 0.21 -0.11 0.00 0.00 -0.52 0.00 0.00 52.55 52.12 1v27 s ASP 135 Cb -0.03 1.16 0.00 0.00 -1.46 0.00 0.00 42.92 42.59 1v27 s ASP 135 CO 0.58 -0.10 0.00 -0.24 0.52 0.00 0.00 175.17 175.93 1v27 n SER 136 N 4.57 -2.86 0.00 -0.34 2.88 -1.26 -4.96 113.62 111.65 1v27 n SER 136 Ca 0.08 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1v27 n SER 136 Cb 0.59 2.77 0.00 0.00 -0.75 0.00 0.00 64.21 66.82 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 -0.95 1.56 3.66 0.46 0.00 -1.26 -4.96 105.19 103.70 1v27 n GLY 137 Ca 0.00 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.95 4.19 -0.30 1.61 0.04 -1.26 -4.96 135.00 132.38 1v27 s PRO 138 Ca 0.00 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.50 1v27 s PRO 138 Cb 0.00 -3.79 0.20 0.00 0.04 0.00 0.00 34.50 30.95 1v27 s PRO 138 CO 0.00 -0.76 1.26 0.45 0.04 0.00 0.00 177.00 177.99 1v27 s SER 139 N 2.14 -0.12 0.00 6.66 0.15 -1.26 -5.17 113.70 116.09 1v27 s SER 139 Ca 0.56 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1v27 s SER 139 Cb -0.22 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1v27 s SER 139 CO 0.16 -0.03 0.00 -0.24 1.20 0.00 0.00 173.24 174.33 1v27 n SER 140 N 2.85 0.00 0.00 5.45 2.88 -1.26 -5.22 113.62 118.32 1v27 n SER 140 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1v27 n SER 140 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1v27 n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42