#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 4.32 -0.33 1.61 0.01 -1.26 -4.96 113.70 113.09 1v27 s SER 2 Ca 0.00 -2.83 -0.04 0.00 1.31 0.00 0.00 55.95 54.39 1v27 s SER 2 Cb 0.00 -1.57 0.19 0.00 0.21 0.00 0.00 66.02 64.84 1v27 s SER 2 CO 0.00 -0.26 0.91 -0.55 0.41 0.00 0.00 173.24 173.75 1v27 s SER 3 N -0.02 -0.76 0.50 2.44 0.15 -1.26 -5.15 113.70 109.60 1v27 s SER 3 Ca 0.16 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1v27 s SER 3 Cb -0.25 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1v27 s SER 3 CO -0.02 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1v27 n GLY 4 N 4.44 -2.88 0.00 9.45 0.00 -1.26 -5.05 105.19 109.88 1v27 n GLY 4 Ca 0.08 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.18 0.00 -3.90 1.61 2.88 -1.26 -5.11 113.62 103.67 1v27 n SER 5 Ca -0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.39 1v27 n SER 5 Cb 0.63 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.02 1v27 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v27 s SER 6 N 0.00 0.09 0.07 -3.46 1.04 -1.26 -5.08 113.70 105.10 1v27 s SER 6 Ca 0.00 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 1v27 s SER 6 Cb 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1v27 s SER 6 CO 0.00 -0.79 0.01 -0.83 0.98 0.00 0.00 173.24 172.61 1v27 s GLY 7 N -2.91 0.52 0.00 7.32 0.00 -1.24 -4.66 107.32 106.35 1v27 s GLY 7 Ca 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1v27 s GLY 7 CO -0.07 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.38 1v27 n GLY 8 N 0.05 1.66 3.01 0.20 0.00 -1.24 -4.90 105.19 103.97 1v27 n GLY 8 Ca -0.13 0.00 -0.12 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 2.83 0.42 0.01 1.61 -0.21 -0.90 -2.79 119.66 120.64 1v27 s GLN 9 Ca 0.00 -0.58 0.05 0.00 0.02 0.00 0.00 55.36 54.85 1v27 s GLN 9 Cb 0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 33.01 33.81 1v27 s GLN 9 CO 0.00 0.03 -0.15 -1.17 -2.12 0.00 0.00 175.29 171.88 1v27 s LEU 10 N -1.21 2.09 -0.31 2.90 2.96 -0.76 -0.94 118.68 123.41 1v27 s LEU 10 Ca -0.09 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1v27 s LEU 10 Cb -0.08 -0.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1v27 s LEU 10 CO -0.00 0.13 0.17 -0.44 -1.32 0.00 0.00 176.35 174.89 1v27 s SER 11 N -0.71 5.67 -0.11 3.68 0.01 0.19 -0.41 113.70 122.01 1v27 s SER 11 Ca 0.05 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.84 1v27 s SER 11 Cb -0.07 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.15 1v27 s SER 11 CO 0.00 -0.19 -0.12 -0.63 0.41 0.00 0.00 173.24 172.71 1v27 s ILE 12 N 1.64 1.28 -0.34 1.44 1.01 -0.99 -1.41 121.20 123.84 1v27 s ILE 12 Ca 0.05 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 1v27 s ILE 12 Cb -0.17 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 1v27 s ILE 12 CO 0.07 0.40 0.25 -0.75 0.00 0.00 0.00 174.94 174.92 1v27 s LYS 13 N 1.30 3.49 0.07 2.79 2.20 0.11 -3.63 119.74 126.07 1v27 s LYS 13 Ca -0.01 -0.64 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1v27 s LYS 13 Cb -0.14 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 1v27 s LYS 13 CO -0.05 -0.46 0.00 -0.51 -0.36 0.00 0.00 175.35 173.97 1v27 s LEU 14 N 1.74 3.49 -0.15 5.43 1.43 -1.26 0.13 118.68 129.50 1v27 s LEU 14 Ca 0.06 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 52.78 1v27 s LEU 14 Cb -0.17 -2.17 0.06 0.00 0.03 0.00 0.00 46.19 43.94 1v27 s LEU 14 CO 0.11 0.20 0.63 0.86 0.23 0.00 0.00 176.35 178.37 1v27 s TRP 15 N -1.26 -0.65 -0.22 0.29 -0.11 0.61 -2.06 118.94 115.54 1v27 s TRP 15 Ca 0.25 1.39 -0.04 0.00 1.22 0.00 0.00 56.10 58.91 1v27 s TRP 15 Cb -0.12 0.29 -0.01 0.00 -1.50 0.00 0.00 33.47 32.13 1v27 s TRP 15 CO 0.17 -0.44 -0.03 0.12 -4.62 0.00 0.00 176.95 172.14 1v27 s PHE 16 N -0.36 2.97 -0.63 5.86 5.36 -1.26 0.11 117.98 130.02 1v27 s PHE 16 Ca -0.05 -0.86 -0.18 0.00 -0.96 0.00 0.00 56.93 54.87 1v27 s PHE 16 Cb -0.03 -2.11 0.12 0.00 -0.34 0.00 0.00 43.02 40.67 1v27 s PHE 16 CO 0.05 -0.51 0.71 0.34 -1.46 0.00 0.00 175.22 174.35 1v27 s ASP 17 N 1.43 6.28 0.50 6.13 -1.08 0.30 -4.86 116.67 125.36 1v27 s ASP 17 Ca 0.05 -1.67 0.29 0.00 -0.52 0.00 0.00 52.55 50.70 1v27 s ASP 17 Cb -0.14 -2.28 1.09 0.00 -1.46 0.00 0.00 42.92 40.12 1v27 s ASP 17 CO -0.02 -1.01 1.88 0.07 0.52 0.00 0.00 175.17 176.61 1v27 h LYS 18 N 8.97 0.00 0.00 4.34 -0.00 -1.93 0.64 116.57 128.59 1v27 h LYS 18 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.43 1v27 h LYS 18 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.31 1v27 h LYS 18 CO 1.06 0.07 0.00 0.28 -0.00 0.00 0.00 179.45 180.86 1v27 n VAL 19 N -3.18 0.00 0.52 0.07 0.31 -1.26 -3.25 118.33 111.54 1v27 n VAL 19 Ca 0.01 1.40 0.12 0.00 -0.01 0.00 0.00 64.34 65.86 1v27 n VAL 19 Cb 0.38 -2.20 0.20 0.00 -0.91 0.00 0.00 33.84 31.32 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 -0.94 1.49 2.86 2.92 0.00 -1.24 -4.97 105.19 105.31 1v27 n GLY 20 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 1v27 n GLY 20 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v27 n HIS 21 N 1.40 -1.92 -4.25 1.61 -0.00 0.18 -4.72 115.22 107.53 1v27 n HIS 21 Ca 0.18 0.67 -0.22 0.00 -0.00 0.00 0.00 57.72 58.36 1v27 n HIS 21 Cb 0.59 -3.78 -0.12 0.00 -0.00 0.00 0.00 29.99 26.68 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 -4.10 1.03 -0.28 -0.41 -0.21 0.10 0.21 119.66 116.00 1v27 s GLN 22 Ca 0.35 -1.12 -0.11 0.00 0.02 0.00 0.00 55.36 54.50 1v27 s GLN 22 Cb -0.05 -1.18 -0.05 0.00 1.00 0.00 0.00 33.01 32.74 1v27 s GLN 22 CO 0.58 0.27 0.19 -1.17 -2.12 0.00 0.00 175.29 173.03 1v27 s LEU 23 N -1.96 4.03 -0.44 2.90 2.96 0.23 0.11 118.68 126.51 1v27 s LEU 23 Ca 0.05 -0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 53.69 1v27 s LEU 23 Cb -0.09 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.52 1v27 s LEU 23 CO 0.04 -0.07 0.60 -0.63 -1.32 0.00 0.00 176.35 174.97 1v27 s ILE 24 N 1.75 4.88 -0.26 6.68 1.09 0.29 0.09 121.20 135.72 1v27 s ILE 24 Ca 0.07 -0.04 -0.01 0.00 -1.10 0.00 0.00 60.65 59.56 1v27 s ILE 24 Cb -0.16 -4.19 0.04 0.00 -1.06 0.00 0.00 42.46 37.09 1v27 s ILE 24 CO 0.10 -0.59 -0.06 -0.69 -0.10 0.00 0.00 174.94 173.61 1v27 s VAL 25 N 2.67 2.78 -0.19 2.92 1.01 0.21 -0.28 120.40 129.52 1v27 s VAL 25 Ca 0.20 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1v27 s VAL 25 Cb -0.15 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 1v27 s VAL 25 CO 0.17 0.09 -0.10 -0.89 0.00 0.00 0.00 175.10 174.37 1v27 s THR 26 N 1.27 2.96 -0.82 3.92 2.01 0.12 0.92 115.64 126.01 1v27 s THR 26 Ca -0.02 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.14 1v27 s THR 26 Cb -0.18 -2.30 0.13 0.00 0.01 0.00 0.00 72.50 70.15 1v27 s THR 26 CO -0.04 0.47 0.99 -0.63 -0.69 0.00 0.00 174.62 174.73 1v27 s ILE 27 N 1.22 4.78 0.00 1.82 -1.09 -1.02 0.07 121.20 126.97 1v27 s ILE 27 Ca 0.02 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 1v27 s ILE 27 Cb -0.14 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.05 1v27 s ILE 27 CO -0.04 -1.39 0.00 0.18 -1.23 0.00 0.00 174.94 172.46 1v27 n LEU 28 N 6.40 0.00 -3.69 2.97 4.77 -0.50 0.18 117.00 127.13 1v27 n LEU 28 Ca 0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1v27 n LEU 28 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1v27 n LEU 28 CO 0.52 0.00 0.48 -0.83 -1.33 0.00 0.00 177.39 176.23 1v27 s GLY 29 N 0.00 -0.29 0.55 -0.72 0.00 -1.21 0.20 107.32 105.86 1v27 s GLY 29 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.82 1v27 s GLY 29 CO 0.00 0.02 0.76 0.00 0.00 0.00 0.00 173.10 173.88 1v27 s ALA 30 N -3.77 4.27 -0.17 3.20 0.00 -0.91 -0.64 121.76 123.74 1v27 s ALA 30 Ca 0.08 -1.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.09 1v27 s ALA 30 Cb -0.04 -1.77 0.06 0.00 0.00 0.00 0.00 23.12 21.37 1v27 s ALA 30 CO -0.01 -0.78 0.57 -1.59 0.00 0.00 0.00 175.76 173.95 1v27 s LYS 31 N -4.69 0.75 -0.78 0.00 0.00 -0.11 -4.33 119.74 110.58 1v27 s LYS 31 Ca 0.60 0.60 -0.01 0.00 0.00 0.00 0.00 55.97 57.16 1v27 s LYS 31 Cb -0.08 0.36 -0.01 0.00 0.00 0.00 0.00 37.83 38.10 1v27 s LYS 31 CO 0.38 -0.14 0.72 -0.25 0.00 0.00 0.00 175.35 176.07 1v27 n ASP 32 N 2.26 -7.58 -4.93 0.03 8.00 -1.26 -2.11 116.55 110.96 1v27 n ASP 32 Ca -0.15 -0.17 -0.23 0.00 0.71 0.00 0.00 54.79 54.94 1v27 n ASP 32 Cb 0.56 -5.19 -0.03 0.00 -0.02 0.00 0.00 41.12 36.44 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 -4.20 4.21 -0.16 0.64 1.02 -1.25 -3.72 118.68 115.22 1v27 s LEU 33 Ca 0.05 0.03 -0.29 0.00 0.02 0.00 0.00 54.13 53.94 1v27 s LEU 33 Cb -0.01 -2.76 -0.02 0.00 0.02 0.00 0.00 46.19 43.42 1v27 s LEU 33 CO 0.75 -0.03 1.27 -2.16 0.02 0.00 0.00 176.35 176.21 1v27 s PRO 34 N -3.72 4.24 0.54 1.29 0.04 -1.26 -5.02 135.00 131.10 1v27 s PRO 34 Ca 0.34 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1v27 s PRO 34 Cb -0.09 -3.76 0.04 0.00 0.04 0.00 0.00 34.50 30.73 1v27 s PRO 34 CO 0.28 -0.70 0.75 0.45 0.04 0.00 0.00 177.00 177.82 1v27 s SER 35 N 1.98 5.26 -0.87 6.66 0.15 -1.26 -4.90 113.70 120.72 1v27 s SER 35 Ca 0.55 -0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.97 1v27 s SER 35 Cb -0.22 -0.62 0.23 0.00 -1.71 0.00 0.00 66.02 63.70 1v27 s SER 35 CO 0.15 -1.14 0.84 0.54 1.20 0.00 0.00 173.24 174.83 1v27 n ARG 36 N -2.26 2.78 -1.01 5.44 1.74 -1.25 -5.04 116.66 117.06 1v27 n ARG 36 Ca 0.09 -4.52 0.12 0.00 -0.77 0.00 0.00 57.85 52.77 1v27 n ARG 36 Cb 0.60 -2.39 -0.04 0.00 -1.02 0.00 0.00 32.46 29.61 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 1.94 -1.88 -0.89 5.56 1.02 -1.26 -3.41 120.64 121.71 1v27 n GLU 37 Ca 0.23 1.34 -0.25 0.00 -0.02 0.00 0.00 57.16 58.46 1v27 n GLU 37 Cb 0.37 -2.38 -0.03 0.00 -0.02 0.00 0.00 31.44 29.38 1v27 n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1v27 n ASP 38 N -4.29 5.87 0.00 1.62 5.75 -1.26 -4.10 116.55 120.13 1v27 n ASP 38 Ca -0.01 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 1v27 n ASP 38 Cb 0.61 -1.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1v27 n GLY 39 N 3.58 0.27 3.08 6.12 0.00 -1.22 -5.14 105.19 111.87 1v27 n GLY 39 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 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 0.45 0.00 1.61 1.81 -1.25 -5.11 118.95 116.45 1v27 s ARG 40 Ca 0.00 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1v27 s ARG 40 Cb 0.00 0.18 0.00 0.00 -0.45 0.00 0.00 34.95 34.68 1v27 s ARG 40 CO 0.00 -0.10 0.00 -0.35 -0.68 0.00 0.00 175.30 174.17 1v27 n PRO 41 N 1.47 0.65 -2.99 3.54 -0.04 -1.26 -3.96 135.00 132.40 1v27 n PRO 41 Ca -0.23 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.12 1v27 n PRO 41 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.29 0.84 -3.82 0.54 1.85 -1.26 -4.84 116.66 109.68 1v27 n ARG 42 Ca 0.00 -1.42 -0.32 0.00 -1.00 0.00 0.00 57.85 55.11 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 -2.03 4.97 0.47 2.89 0.01 -1.26 -1.16 114.94 118.82 1v27 s ASN 43 Ca 0.08 -3.29 -0.21 0.00 -0.71 0.00 0.00 52.86 48.73 1v27 s ASN 43 Cb 0.00 -1.75 -0.09 0.00 0.41 0.00 0.00 41.25 39.83 1v27 s ASN 43 CO 0.06 -0.23 1.04 -2.16 -1.51 0.00 0.00 177.10 174.30 1v27 s PRO 44 N -0.68 3.87 -0.28 -0.60 0.04 -1.21 -0.24 135.00 135.89 1v27 s PRO 44 Ca 0.21 1.39 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1v27 s PRO 44 Cb -0.16 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.29 1v27 s PRO 44 CO -0.07 -0.38 0.75 1.52 0.04 0.00 0.00 177.00 178.87 1v27 s TYR 45 N -1.93 -0.86 0.41 0.56 -0.85 -0.61 -2.42 117.35 111.66 1v27 s TYR 45 Ca 0.66 1.89 -0.03 0.00 -0.52 0.00 0.00 57.07 59.07 1v27 s TYR 45 Cb -0.17 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 1v27 s TYR 45 CO 0.21 -0.42 0.68 0.08 -1.52 0.00 0.00 175.55 174.58 1v27 s VAL 46 N 0.95 4.99 -0.22 -3.49 1.01 -1.26 -2.48 120.40 119.88 1v27 s VAL 46 Ca -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1v27 s VAL 46 Cb -0.05 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.60 1v27 s VAL 46 CO -0.09 -0.69 0.33 -0.75 0.00 0.00 0.00 175.10 173.90 1v27 s LYS 47 N -4.45 0.29 0.30 2.72 2.20 -1.02 -3.10 119.74 116.67 1v27 s LYS 47 Ca 0.44 0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 56.47 1v27 s LYS 47 Cb -0.10 -0.64 -0.05 0.00 -1.51 0.00 0.00 37.83 35.52 1v27 s LYS 47 CO 0.40 -0.61 0.57 0.42 -0.36 0.00 0.00 175.35 175.76 1v27 s ILE 48 N 2.48 5.01 -0.30 5.43 1.01 0.35 -2.85 121.20 132.32 1v27 s ILE 48 Ca 0.10 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.89 1v27 s ILE 48 Cb -0.15 -3.73 0.17 0.00 0.01 0.00 0.00 42.46 38.76 1v27 s ILE 48 CO -0.14 -0.33 0.47 -0.31 0.00 0.00 0.00 174.94 174.63 1v27 s TYR 49 N -2.10 -1.26 -0.70 3.97 2.02 -1.24 -2.74 117.35 115.31 1v27 s TYR 49 Ca 0.44 0.46 -0.26 0.00 -0.37 0.00 0.00 57.07 57.35 1v27 s TYR 49 Cb -0.11 -0.00 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1v27 s TYR 49 CO 0.30 -1.03 1.97 0.12 -1.57 0.00 0.00 175.55 175.34 1v27 s PHE 50 N 2.51 1.62 0.77 2.71 5.36 -1.18 -3.42 117.98 126.34 1v27 s PHE 50 Ca 0.11 0.88 -0.11 0.00 -0.96 0.00 0.00 56.93 56.85 1v27 s PHE 50 Cb -0.11 -3.99 0.05 0.00 -0.34 0.00 0.00 43.02 38.63 1v27 s PHE 50 CO -0.26 -2.12 1.09 -0.51 -1.46 0.00 0.00 175.22 171.96 1v27 s LEU 51 N 10.02 3.01 0.00 6.12 1.02 -0.84 -4.60 118.68 133.41 1v27 s LEU 51 Ca 0.72 1.78 -0.03 0.00 0.02 0.00 0.00 54.13 56.62 1v27 s LEU 51 Cb -0.11 -4.49 0.04 0.00 0.02 0.00 0.00 46.19 41.65 1v27 s LEU 51 CO 0.14 -1.97 0.20 -0.81 0.02 0.00 0.00 176.35 173.93 1v27 n PRO 52 N -3.48 -0.79 -1.47 1.29 -0.04 -1.26 -3.71 135.00 125.55 1v27 n PRO 52 Ca 0.09 -0.32 0.18 0.00 -0.04 0.00 0.00 63.50 63.42 1v27 n PRO 52 Cb 0.53 -0.25 -0.08 0.00 -0.04 0.00 0.00 33.50 33.66 1v27 n PRO 52 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1v27 n ASP 53 N -3.23 -8.52 -3.17 3.54 8.00 -1.26 -4.95 116.55 106.96 1v27 n ASP 53 Ca 0.03 1.20 0.03 0.00 0.71 0.00 0.00 54.79 56.75 1v27 n ASP 53 Cb 0.10 -4.85 -0.00 0.00 -0.02 0.00 0.00 41.12 36.34 1v27 n ASP 53 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1v27 s ARG 54 N -3.65 0.67 0.30 -1.24 0.52 -1.26 -4.67 118.95 109.62 1v27 s ARG 54 Ca 0.00 0.13 -0.04 0.00 -0.52 0.00 0.00 55.73 55.30 1v27 s ARG 54 Cb 0.00 0.17 -0.01 0.00 0.52 0.00 0.00 34.95 35.63 1v27 s ARG 54 CO 0.00 -1.08 0.43 -1.12 0.02 0.00 0.00 175.30 173.54 1v27 s SER 55 N 2.33 0.60 0.57 0.23 0.01 -1.26 -5.01 113.70 111.18 1v27 s SER 55 Ca 0.13 -1.35 0.30 0.00 1.31 0.00 0.00 55.95 56.34 1v27 s SER 55 Cb -0.07 0.61 1.46 0.00 0.21 0.00 0.00 66.02 68.23 1v27 s SER 55 CO -0.16 -1.20 1.87 0.44 0.41 0.00 0.00 173.24 174.60 1v27 h ASP 56 N 2.21 0.00 -0.08 2.44 3.32 -2.02 0.12 116.42 122.41 1v27 h ASP 56 Ca -0.29 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.81 1v27 h ASP 56 Cb 1.24 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 1v27 h ASP 56 CO 0.40 0.00 -0.28 0.50 -1.72 0.00 0.00 179.24 178.13 1v27 h LYS 57 N 0.00 -0.37 -2.07 3.56 3.11 -2.03 -3.22 116.57 115.56 1v27 h LYS 57 Ca 0.32 0.03 -0.53 0.00 -2.81 0.00 0.00 60.65 57.65 1v27 h LYS 57 Cb 1.49 0.08 -0.41 0.00 -1.00 0.00 0.00 32.23 32.39 1v27 h LYS 57 CO -0.00 -0.25 -0.92 0.27 -2.81 0.00 0.00 179.45 175.74 1v27 n ASN 58 N -5.39 2.75 -3.98 4.20 0.23 0.18 -5.04 115.26 108.21 1v27 n ASN 58 Ca -0.04 -3.35 -0.29 0.00 -0.53 0.00 0.00 54.58 50.38 1v27 n ASN 58 Cb 0.31 -0.58 -0.17 0.00 -2.08 0.00 0.00 39.78 37.26 1v27 n ASN 58 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1v27 s LYS 59 N -3.00 2.03 -0.15 -3.83 2.20 0.15 -3.07 119.74 114.07 1v27 s LYS 59 Ca 0.44 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 1v27 s LYS 59 Cb 0.32 -1.91 0.02 0.00 -1.51 0.00 0.00 37.83 34.75 1v27 s LYS 59 CO -0.11 -0.24 -0.16 1.03 -0.36 0.00 0.00 175.35 175.51 1v27 s ARG 60 N 1.53 2.50 -0.01 4.03 1.81 -1.11 -4.87 118.95 122.83 1v27 s ARG 60 Ca 0.04 -0.65 0.03 0.00 -1.72 0.00 0.00 55.73 53.44 1v27 s ARG 60 Cb -0.13 -2.20 -0.00 0.00 -0.45 0.00 0.00 34.95 32.16 1v27 s ARG 60 CO -0.09 -0.18 -0.10 0.50 -0.68 0.00 0.00 175.30 174.74 1v27 s ARG 61 N 1.30 0.92 0.69 3.54 3.52 -1.26 0.13 118.95 127.79 1v27 s ARG 61 Ca 0.02 -0.37 -0.10 0.00 -0.13 0.00 0.00 55.73 55.15 1v27 s ARG 61 Cb -0.13 -0.87 0.02 0.00 -1.56 0.00 0.00 34.95 32.40 1v27 s ARG 61 CO -0.09 0.20 1.06 0.95 -0.81 0.00 0.00 175.30 176.61 1v27 s THR 62 N -0.12 3.36 0.49 4.11 -4.23 -1.18 -5.01 115.64 113.07 1v27 s THR 62 Ca 0.02 0.32 -0.24 0.00 -1.18 0.00 0.00 61.69 60.61 1v27 s THR 62 Cb -0.06 -3.42 -0.07 0.00 1.34 0.00 0.00 72.50 70.30 1v27 s THR 62 CO -0.00 -0.52 1.39 2.29 -0.54 0.00 0.00 174.62 177.24 1v27 n LYS 63 N -2.94 2.00 -2.64 3.99 2.85 -1.26 -4.68 118.16 115.47 1v27 n LYS 63 Ca 0.07 0.72 -0.43 0.00 -1.05 0.00 0.00 58.31 57.61 1v27 n LYS 63 Cb 0.58 -2.59 -0.02 0.00 -0.65 0.00 0.00 35.03 32.34 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 -1.23 4.34 0.34 0.58 2.01 -1.26 -4.76 115.64 115.65 1v27 s THR 64 Ca 0.66 1.35 -0.26 0.00 0.31 0.00 0.00 61.69 63.75 1v27 s THR 64 Cb -0.44 -4.52 -0.10 0.00 0.01 0.00 0.00 72.50 67.46 1v27 s THR 64 CO 0.54 -0.80 0.96 -0.69 -0.69 0.00 0.00 174.62 173.94 1v27 s VAL 65 N 4.09 4.18 -0.12 3.82 1.01 -1.02 -5.02 120.40 127.34 1v27 s VAL 65 Ca 0.46 1.76 0.02 0.00 0.00 0.00 0.00 61.98 64.21 1v27 s VAL 65 Cb -0.09 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1v27 s VAL 65 CO 0.25 0.10 -0.18 -0.54 0.00 0.00 0.00 175.10 174.73 1v27 s LYS 66 N -2.17 3.22 -0.24 2.72 -0.14 -1.26 -3.34 119.74 118.53 1v27 s LYS 66 Ca 0.52 -0.78 -0.07 0.00 -1.36 0.00 0.00 55.97 54.28 1v27 s LYS 66 Cb -0.18 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.49 1v27 s LYS 66 CO 0.23 0.17 0.16 1.63 -0.76 0.00 0.00 175.35 176.79 1v27 n LYS 67 N 3.59 -2.06 -3.17 1.68 5.02 -0.31 -4.97 118.16 117.94 1v27 n LYS 67 Ca -0.19 1.85 0.05 0.00 -2.02 0.00 0.00 58.31 58.01 1v27 n LYS 67 Cb 0.53 -3.52 -0.03 0.00 -0.02 0.00 0.00 35.03 31.99 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 -1.53 -0.12 -0.20 -0.18 -1.32 -1.07 -4.94 115.64 106.28 1v27 s THR 68 Ca 0.08 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.84 1v27 s THR 68 Cb -0.01 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.33 1v27 s THR 68 CO 0.53 0.00 1.80 -0.07 -2.21 0.00 0.00 174.62 174.66 1v27 h LEU 69 N 7.71 0.00 -6.97 9.08 3.38 -1.96 -3.38 115.31 123.18 1v27 h LEU 69 Ca -0.12 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.24 1v27 h LEU 69 Cb 1.16 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.51 1v27 h LEU 69 CO -0.12 0.00 -0.74 -1.61 0.09 0.00 0.00 178.44 176.06 1v27 s GLU 70 N -3.42 1.36 0.44 1.13 8.01 -1.26 -3.97 118.70 120.99 1v27 s GLU 70 Ca 0.04 -2.12 -0.22 0.00 0.01 0.00 0.00 54.97 52.68 1v27 s GLU 70 Cb 0.07 -2.38 -0.09 0.00 -4.31 0.00 0.00 34.13 27.43 1v27 s GLU 70 CO 0.59 -1.18 1.05 -1.25 0.01 0.00 0.00 175.26 174.48 1v27 s PRO 71 N 0.20 4.00 -0.36 0.39 0.04 -1.26 -4.86 135.00 133.15 1v27 s PRO 71 Ca 0.19 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1v27 s PRO 71 Cb -0.21 -2.35 0.12 0.00 0.04 0.00 0.00 34.50 32.10 1v27 s PRO 71 CO -0.02 -0.28 0.17 0.15 0.04 0.00 0.00 177.00 177.06 1v27 s LYS 72 N -2.82 0.85 -0.12 4.56 1.02 -1.26 -2.14 119.74 119.83 1v27 s LYS 72 Ca 0.62 -1.41 -0.12 0.00 0.02 0.00 0.00 55.97 55.08 1v27 s LYS 72 Cb -0.20 -1.94 -0.26 0.00 -0.52 0.00 0.00 37.83 34.92 1v27 s LYS 72 CO 0.24 -1.09 0.43 -1.49 -0.92 0.00 0.00 175.35 172.53 1v27 h TRP 73 N 7.45 0.43 -6.20 3.18 6.55 -0.32 -3.47 115.95 123.56 1v27 h TRP 73 Ca -0.06 -0.31 -0.41 0.00 0.95 0.00 0.00 58.89 59.06 1v27 h TRP 73 Cb 0.98 -0.02 -0.25 0.00 -0.86 0.00 0.00 29.16 29.01 1v27 h TRP 73 CO 0.41 1.66 -0.59 0.09 -1.05 0.00 0.00 178.44 178.97 1v27 n ASN 74 N -3.78 -1.45 -4.41 -3.49 4.13 0.48 -4.86 115.26 101.89 1v27 n ASN 74 Ca -0.29 -0.67 -0.26 0.00 1.68 0.00 0.00 54.58 55.04 1v27 n ASN 74 Cb 0.95 -1.30 0.15 0.00 -1.54 0.00 0.00 39.78 38.04 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 -6.08 1.13 0.06 3.52 -1.52 -1.09 -4.85 119.66 110.82 1v27 s GLN 75 Ca 0.54 -1.02 0.04 0.00 -1.95 0.00 0.00 55.36 52.98 1v27 s GLN 75 Cb -0.32 -2.16 -0.03 0.00 -0.22 0.00 0.00 33.01 30.29 1v27 s GLN 75 CO 0.66 -1.91 -0.13 0.99 -0.25 0.00 0.00 175.29 174.65 1v27 s THR 76 N -3.44 0.97 -0.18 -0.19 2.01 -1.26 -2.44 115.64 111.10 1v27 s THR 76 Ca 0.71 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 1v27 s THR 76 Cb -0.03 -0.94 0.09 0.00 0.01 0.00 0.00 72.50 71.62 1v27 s THR 76 CO 0.48 -0.22 0.25 -0.36 -0.69 0.00 0.00 174.62 174.08 1v27 s PHE 77 N -1.21 -0.39 -0.22 4.92 0.08 0.26 -4.93 117.98 116.49 1v27 s PHE 77 Ca -0.03 0.55 -0.14 0.00 0.12 0.00 0.00 56.93 57.43 1v27 s PHE 77 Cb -0.10 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.11 1v27 s PHE 77 CO 0.02 -0.53 0.31 0.42 -0.10 0.00 0.00 175.22 175.34 1v27 s ILE 78 N 2.38 5.26 -0.25 0.64 1.01 -1.25 0.65 121.20 129.65 1v27 s ILE 78 Ca 0.06 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.23 1v27 s ILE 78 Cb -0.14 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.73 1v27 s ILE 78 CO -0.11 0.29 -0.12 -0.31 0.00 0.00 0.00 174.94 174.69 1v27 s TYR 79 N 1.22 3.15 0.10 3.97 2.02 0.11 -4.86 117.35 123.07 1v27 s TYR 79 Ca 0.15 -2.09 -0.08 0.00 -0.37 0.00 0.00 57.07 54.68 1v27 s TYR 79 Cb -0.14 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1v27 s TYR 79 CO 0.07 -0.85 0.19 -1.54 -1.57 0.00 0.00 175.55 171.85 1v27 s SER 80 N 1.17 0.13 0.31 2.29 1.04 -1.26 0.76 113.70 118.14 1v27 s SER 80 Ca -0.05 -0.75 -0.28 0.00 0.48 0.00 0.00 55.95 55.35 1v27 s SER 80 Cb -0.18 0.35 -0.09 0.00 0.10 0.00 0.00 66.02 66.19 1v27 s SER 80 CO -0.06 -0.76 1.07 -2.16 0.98 0.00 0.00 173.24 172.31 1v27 s PRO 81 N -3.90 4.54 -0.20 4.02 0.04 -1.26 -5.06 135.00 133.18 1v27 s PRO 81 Ca 0.09 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1v27 s PRO 81 Cb 0.05 -3.03 0.06 0.00 0.04 0.00 0.00 34.50 31.61 1v27 s PRO 81 CO -0.08 0.15 0.01 0.08 0.04 0.00 0.00 177.00 177.19 1v27 s VAL 82 N -1.29 0.82 0.47 -0.36 1.01 0.55 -4.98 120.40 116.63 1v27 s VAL 82 Ca 0.47 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 1v27 s VAL 82 Cb -0.29 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1v27 s VAL 82 CO 0.37 -0.14 0.73 -1.00 0.00 0.00 0.00 175.10 175.05 1v27 s HIS 83 N 1.73 3.33 0.23 5.22 3.76 -1.26 -3.94 115.29 124.35 1v27 s HIS 83 Ca -0.02 0.45 0.08 0.00 -0.15 0.00 0.00 55.06 55.42 1v27 s HIS 83 Cb -0.17 -2.34 0.19 0.00 1.11 0.00 0.00 32.58 31.36 1v27 s HIS 83 CO -0.07 -0.38 1.51 -0.09 -0.85 0.00 0.00 174.74 174.86 1v27 h ARG 84 N 0.29 0.04 0.00 1.40 9.65 -1.99 -2.94 114.38 120.83 1v27 h ARG 84 Ca -0.47 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1v27 h ARG 84 Cb 1.24 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1v27 h ARG 84 CO 0.59 0.75 -0.42 0.07 2.80 0.00 0.00 179.97 183.76 1v27 h ARG 85 N 0.02 0.00 0.00 0.20 -0.00 -2.01 -3.18 114.38 109.41 1v27 h ARG 85 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1v27 h ARG 85 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 1v27 h ARG 85 CO 0.10 0.00 0.00 0.39 -0.00 0.00 0.00 179.97 180.46 1v27 n GLU 86 N -2.44 0.10 0.30 0.08 -0.58 -1.11 -3.65 120.64 113.34 1v27 n GLU 86 Ca 0.03 0.05 -0.17 0.00 -0.42 0.00 0.00 57.16 56.66 1v27 n GLU 86 Cb 0.47 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.00 -0.67 0.00 -0.32 -1.00 -1.57 1.28 116.94 114.66 1v27 h PHE 87 Ca 0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1v27 h PHE 87 Cb 0.39 0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1v27 h PHE 87 CO 0.00 -0.41 0.00 2.89 -1.61 0.00 0.00 178.31 179.18 1v27 n ARG 88 N -5.39 0.15 -0.01 1.51 1.85 -1.24 -0.27 116.66 113.26 1v27 n ARG 88 Ca -0.12 0.61 0.09 0.00 -1.00 0.00 0.00 57.85 57.43 1v27 n ARG 88 Cb 0.30 -1.94 -0.13 0.00 -1.05 0.00 0.00 32.46 29.64 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 -2.25 0.67 -3.79 2.89 1.02 -0.57 -4.88 120.64 113.73 1v27 n GLU 89 Ca -0.01 -0.11 -0.24 0.00 -0.02 0.00 0.00 57.16 56.78 1v27 n GLU 89 Cb 0.06 -1.43 -0.17 0.00 -0.02 0.00 0.00 31.44 29.88 1v27 n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1v27 s ARG 90 N -3.12 0.80 0.08 3.49 3.00 0.43 -4.64 118.95 118.99 1v27 s ARG 90 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 55.73 55.74 1v27 s ARG 90 Cb 0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 34.95 33.76 1v27 s ARG 90 CO 0.79 -0.35 -0.17 1.41 0.00 0.00 0.00 175.30 176.98 1v27 s MET 91 N 1.90 1.96 0.24 3.54 -2.45 -1.24 -4.03 119.30 119.21 1v27 s MET 91 Ca 0.04 -1.07 -0.06 0.00 -1.25 0.00 0.00 55.69 53.35 1v27 s MET 91 Cb -0.13 -2.18 -0.06 0.00 1.25 0.00 0.00 34.83 33.71 1v27 s MET 91 CO -0.06 0.51 0.52 -0.51 1.05 0.00 0.00 175.02 176.52 1v27 s LEU 92 N -1.85 4.14 -0.34 4.11 1.43 -0.17 -1.99 118.68 124.01 1v27 s LEU 92 Ca 0.17 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1v27 s LEU 92 Cb -0.11 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.72 1v27 s LEU 92 CO 0.09 -0.11 0.29 -0.70 0.23 0.00 0.00 176.35 176.15 1v27 s GLU 93 N -3.13 0.51 0.16 1.70 2.12 -1.22 -2.15 118.70 116.69 1v27 s GLU 93 Ca 0.44 -0.81 -0.10 0.00 0.36 0.00 0.00 54.97 54.87 1v27 s GLU 93 Cb -0.11 -0.90 -0.07 0.00 0.26 0.00 0.00 34.13 33.31 1v27 s GLU 93 CO 0.26 -1.15 0.49 0.42 -0.54 0.00 0.00 175.26 174.74 1v27 s ILE 94 N 1.59 4.98 -0.10 -3.70 1.09 0.19 -3.61 121.20 121.64 1v27 s ILE 94 Ca 0.15 0.49 -0.08 0.00 -1.10 0.00 0.00 60.65 60.11 1v27 s ILE 94 Cb -0.17 -3.65 0.03 0.00 -1.06 0.00 0.00 42.46 37.61 1v27 s ILE 94 CO -0.11 0.10 0.26 0.42 -0.10 0.00 0.00 174.94 175.51 1v27 s THR 95 N -1.61 -0.01 -0.16 2.92 -4.23 -1.13 0.20 115.64 111.61 1v27 s THR 95 Ca 0.41 0.04 -0.06 0.00 -1.18 0.00 0.00 61.69 60.89 1v27 s THR 95 Cb -0.13 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.29 1v27 s THR 95 CO 0.20 0.02 0.06 -0.22 -0.54 0.00 0.00 174.62 174.14 1v27 s LEU 96 N 0.46 3.84 0.21 4.79 2.96 -1.07 -2.45 118.68 127.43 1v27 s LEU 96 Ca -0.03 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1v27 s LEU 96 Cb -0.04 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1v27 s LEU 96 CO -0.02 0.24 0.14 0.26 -1.32 0.00 0.00 176.35 175.64 1v27 s TRP 97 N -0.01 1.23 -0.17 5.38 0.52 -1.04 -0.14 118.94 124.71 1v27 s TRP 97 Ca 0.06 -1.38 0.01 0.00 0.02 0.00 0.00 56.10 54.81 1v27 s TRP 97 Cb -0.12 -0.60 0.02 0.00 -1.15 0.00 0.00 33.47 31.62 1v27 s TRP 97 CO 0.01 -0.63 -0.18 0.34 0.02 0.00 0.00 176.95 176.51 1v27 s ASP 98 N -3.19 2.96 -1.11 2.95 2.15 -1.26 -1.57 116.67 117.60 1v27 s ASP 98 Ca 0.39 -0.59 -0.23 0.00 0.43 0.00 0.00 52.55 52.55 1v27 s ASP 98 Cb 0.07 -1.37 -0.08 0.00 -0.30 0.00 0.00 42.92 41.24 1v27 s ASP 98 CO 0.13 -0.02 1.95 -1.58 -0.17 0.00 0.00 175.17 175.48 1v27 s GLN 99 N 1.36 2.46 1.04 4.34 -0.44 0.67 -4.20 119.66 124.89 1v27 s GLN 99 Ca 0.05 -0.91 -0.17 0.00 -2.50 0.00 0.00 55.36 51.82 1v27 s GLN 99 Cb -0.13 -5.19 0.24 0.00 -1.64 0.00 0.00 33.01 26.29 1v27 s GLN 99 CO -0.12 -3.88 1.30 0.00 0.50 0.00 0.00 175.29 173.09 1v27 s ALA 100 N 10.99 1.85 0.51 1.58 0.00 -1.16 -4.58 121.76 130.95 1v27 s ALA 100 Ca 0.69 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1v27 s ALA 100 Cb -0.02 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1v27 s ALA 100 CO 0.10 -2.79 0.00 0.54 0.00 0.00 0.00 175.76 173.61 1v27 n ARG 101 N -4.04 -2.89 -0.09 0.00 5.12 -1.26 -4.47 116.66 109.02 1v27 n ARG 101 Ca 0.16 2.30 -0.13 0.00 -1.93 0.00 0.00 57.85 58.25 1v27 n ARG 101 Cb 0.59 -3.47 -0.06 0.00 -1.16 0.00 0.00 32.46 28.37 1v27 n ARG 101 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1v27 n VAL 102 N -4.15 1.48 -2.73 1.55 0.31 -1.26 -4.58 118.33 108.95 1v27 n VAL 102 Ca -0.07 0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1v27 n VAL 102 Cb 0.63 -2.23 -0.01 0.00 -0.91 0.00 0.00 33.84 31.32 1v27 n VAL 102 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1v27 n ARG 103 N -4.49 4.19 -3.87 5.55 1.74 -1.26 -4.98 116.66 113.54 1v27 n ARG 103 Ca -0.21 -4.69 0.01 0.00 -0.77 0.00 0.00 57.85 52.18 1v27 n ARG 103 Cb 0.50 -2.34 0.01 0.00 -1.02 0.00 0.00 32.46 29.61 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 -3.89 0.65 -0.17 5.56 2.02 -1.26 -5.08 118.70 116.53 1v27 s GLU 104 Ca 0.45 -0.41 -0.14 0.00 0.02 0.00 0.00 54.97 54.89 1v27 s GLU 104 Cb 0.26 0.19 -0.06 0.00 0.10 0.00 0.00 34.13 34.61 1v27 s GLU 104 CO -0.15 -0.30 -0.21 0.39 0.02 0.00 0.00 175.26 175.00 1v27 n GLU 105 N -0.74 0.50 -3.92 1.61 1.02 -1.26 -4.68 120.64 113.17 1v27 n GLU 105 Ca -0.01 0.41 -0.35 0.00 -0.02 0.00 0.00 57.16 57.19 1v27 n GLU 105 Cb 0.60 -1.60 0.01 0.00 -0.02 0.00 0.00 31.44 30.43 1v27 n GLU 105 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1v27 n GLU 106 N -4.52 -0.81 -2.55 3.49 2.13 -1.26 -3.01 120.64 114.10 1v27 n GLU 106 Ca -0.15 0.34 -0.42 0.00 0.66 0.00 0.00 57.16 57.58 1v27 n GLU 106 Cb 0.43 -2.16 -0.03 0.00 0.27 0.00 0.00 31.44 29.95 1v27 n GLU 106 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1v27 s SER 107 N -3.29 7.15 0.00 4.31 1.04 -1.26 -3.77 113.70 117.87 1v27 s SER 107 Ca 0.25 1.75 0.23 0.00 0.48 0.00 0.00 55.95 58.66 1v27 s SER 107 Cb -0.14 -2.56 0.10 0.00 0.10 0.00 0.00 66.02 63.51 1v27 s SER 107 CO 0.89 -0.48 1.14 -1.84 0.98 0.00 0.00 173.24 173.92 1v27 n GLU 108 N 4.76 0.50 -2.65 4.02 0.28 -1.26 -3.80 120.64 122.49 1v27 n GLU 108 Ca 0.09 -0.39 -0.03 0.00 -0.16 0.00 0.00 57.16 56.68 1v27 n GLU 108 Cb 0.48 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 31.83 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 -0.91 -2.68 0.09 -1.84 7.35 -1.26 -4.87 117.46 113.33 1v27 n PHE 109 Ca 0.07 1.57 -0.07 0.00 -0.76 0.00 0.00 57.45 58.27 1v27 n PHE 109 Cb 0.38 -2.70 0.00 0.00 0.35 0.00 0.00 39.48 37.52 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 4.45 0.15 0.00 -2.13 3.38 -0.83 -3.46 115.31 116.88 1v27 h LEU 110 Ca -0.25 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1v27 h LEU 110 Cb 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1v27 h LEU 110 CO 0.00 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.08 1v27 n GLY 111 N 0.85 -1.15 3.10 0.83 0.00 -0.95 -3.73 105.19 104.14 1v27 n GLY 111 Ca -0.02 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.00 0.35 -0.23 1.61 -1.05 -0.43 -2.59 118.70 115.37 1v27 s GLU 112 Ca 0.00 -0.01 -0.00 0.00 -0.15 0.00 0.00 54.97 54.81 1v27 s GLU 112 Cb 0.00 0.16 0.06 0.00 -0.44 0.00 0.00 34.13 33.91 1v27 s GLU 112 CO 0.00 -0.07 -0.01 0.42 0.95 0.00 0.00 175.26 176.55 1v27 s ILE 113 N -0.54 1.19 -0.18 1.83 1.01 0.53 -0.67 121.20 124.37 1v27 s ILE 113 Ca -0.06 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 59.43 1v27 s ILE 113 Cb -0.04 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1v27 s ILE 113 CO 0.01 -0.20 0.09 -0.76 0.00 0.00 0.00 174.94 174.08 1v27 s LEU 114 N 1.54 3.99 -0.05 2.97 2.01 -1.26 0.53 118.68 128.41 1v27 s LEU 114 Ca -0.02 0.17 -0.01 0.00 0.01 0.00 0.00 54.13 54.27 1v27 s LEU 114 Cb -0.18 -2.01 0.03 0.00 0.01 0.00 0.00 46.19 44.03 1v27 s LEU 114 CO -0.08 0.20 0.01 -0.63 1.01 0.00 0.00 176.35 176.85 1v27 s ILE 115 N 0.22 0.24 -0.46 -0.59 1.01 -0.91 -5.00 121.20 115.70 1v27 s ILE 115 Ca 0.06 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.64 1v27 s ILE 115 Cb -0.12 -0.38 0.03 0.00 0.01 0.00 0.00 42.46 42.00 1v27 s ILE 115 CO -0.00 0.21 0.69 -1.61 0.00 0.00 0.00 174.94 174.22 1v27 s GLU 116 N 1.61 3.28 0.49 2.79 2.02 -1.26 -0.99 118.70 126.64 1v27 s GLU 116 Ca -0.01 -0.40 0.37 0.00 0.02 0.00 0.00 54.97 54.94 1v27 s GLU 116 Cb -0.13 -3.98 1.52 0.00 0.10 0.00 0.00 34.13 31.64 1v27 s GLU 116 CO -0.03 -1.11 1.66 -0.07 0.02 0.00 0.00 175.26 175.73 1v27 h LEU 117 N 9.89 0.14 -0.17 1.80 3.38 -1.77 0.91 115.31 129.48 1v27 h LEU 117 Ca -0.26 0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1v27 h LEU 117 Cb 1.09 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1v27 h LEU 117 CO 0.93 -0.07 -0.15 -0.08 0.09 0.00 0.00 178.44 179.17 1v27 h GLU 118 N 0.07 -0.15 -0.47 1.13 4.81 -1.82 -2.37 114.58 115.78 1v27 h GLU 118 Ca 0.79 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.80 1v27 h GLU 118 Cb 2.79 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 32.07 1v27 h GLU 118 CO -0.20 -0.10 0.06 0.25 -0.73 0.00 0.00 179.01 178.28 1v27 n THR 119 N -5.30 2.67 -2.77 0.32 -2.24 0.26 -4.94 114.28 102.29 1v27 n THR 119 Ca -0.02 -2.54 -0.43 0.00 -2.27 0.00 0.00 64.05 58.79 1v27 n THR 119 Cb 0.21 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.23 3.35 -0.78 6.98 0.00 0.16 -4.83 121.76 123.40 1v27 s ALA 120 Ca 0.47 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 1v27 s ALA 120 Cb 0.42 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1v27 s ALA 120 CO 0.02 -1.78 2.02 -0.48 0.00 0.00 0.00 175.76 175.55 1v27 s LEU 121 N 3.68 3.17 -0.30 0.00 0.05 -1.26 -4.92 118.68 119.11 1v27 s LEU 121 Ca 0.40 -0.19 -0.14 0.00 0.05 0.00 0.00 54.13 54.24 1v27 s LEU 121 Cb -0.11 -2.55 -0.03 0.00 -2.05 0.00 0.00 46.19 41.46 1v27 s LEU 121 CO 0.22 -2.81 0.33 -0.76 -0.55 0.00 0.00 176.35 172.77 1v27 s LEU 122 N 10.60 4.21 0.00 1.48 1.43 -1.26 -4.80 118.68 130.34 1v27 s LEU 122 Ca 0.74 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1v27 s LEU 122 Cb -0.10 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1v27 s LEU 122 CO 0.08 -0.22 0.83 -0.67 0.23 0.00 0.00 176.35 176.59 1v27 n ASP 123 N 5.29 -0.49 -4.07 2.29 2.03 -1.22 -4.85 116.55 115.54 1v27 n ASP 123 Ca -0.10 -1.64 -0.30 0.00 0.52 0.00 0.00 54.79 53.28 1v27 n ASP 123 Cb 0.50 0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 41.00 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1v27 n ASP 124 N 0.03 -0.60 -4.08 1.67 5.75 -0.87 -4.95 116.55 113.50 1v27 n ASP 124 Ca -0.15 -1.13 -0.16 0.00 -0.01 0.00 0.00 54.79 53.34 1v27 n ASP 124 Cb 0.65 -2.46 -0.13 0.00 -1.03 0.00 0.00 41.12 38.15 1v27 n ASP 124 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1v27 s GLU 125 N -6.87 0.66 -0.12 0.11 1.03 -1.26 -5.01 118.70 107.25 1v27 s GLU 125 Ca 0.08 -0.66 -0.30 0.00 0.03 0.00 0.00 54.97 54.13 1v27 s GLU 125 Cb -0.04 -0.57 -0.02 0.00 -0.80 0.00 0.00 34.13 32.70 1v27 s GLU 125 CO 0.93 0.13 1.25 -1.25 -1.33 0.00 0.00 175.26 175.00 1v27 s PRO 126 N -1.14 4.28 0.02 -4.83 0.04 -1.26 -4.29 135.00 127.81 1v27 s PRO 126 Ca -0.03 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1v27 s PRO 126 Cb -0.08 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.75 1v27 s PRO 126 CO 0.01 -0.61 -0.25 -1.58 0.04 0.00 0.00 177.00 174.61 1v27 s HIS 127 N 3.01 2.19 -0.48 0.56 2.46 -1.24 -5.00 115.29 116.79 1v27 s HIS 127 Ca 0.56 -0.41 -0.17 0.00 0.47 0.00 0.00 55.06 55.51 1v27 s HIS 127 Cb -0.23 -1.35 0.06 0.00 -0.13 0.00 0.00 32.58 30.93 1v27 s HIS 127 CO 0.18 0.05 0.48 -1.58 -2.47 0.00 0.00 174.74 171.40 1v27 s TRP 128 N -0.71 3.17 -0.26 3.88 0.52 -1.26 -2.34 118.94 121.95 1v27 s TRP 128 Ca 0.10 -0.73 -0.12 0.00 0.02 0.00 0.00 56.10 55.37 1v27 s TRP 128 Cb -0.10 -3.26 -0.05 0.00 -1.15 0.00 0.00 33.47 28.92 1v27 s TRP 128 CO 0.01 -0.87 0.23 0.71 0.02 0.00 0.00 176.95 177.05 1v27 s TYR 129 N 2.04 3.27 0.35 -1.98 2.02 0.45 -4.89 117.35 118.61 1v27 s TYR 129 Ca 0.09 0.25 -0.28 0.00 -0.37 0.00 0.00 57.07 56.76 1v27 s TYR 129 Cb -0.22 -2.38 -0.10 0.00 -0.40 0.00 0.00 41.96 38.87 1v27 s TYR 129 CO 0.09 -0.07 1.24 0.15 -1.57 0.00 0.00 175.55 175.38 1v27 s LYS 130 N 1.51 4.29 0.36 -0.62 1.02 -1.26 -1.83 119.74 123.20 1v27 s LYS 130 Ca 0.09 2.05 -0.19 0.00 0.02 0.00 0.00 55.97 57.94 1v27 s LYS 130 Cb -0.15 -2.97 -0.10 0.00 -0.52 0.00 0.00 37.83 34.10 1v27 s LYS 130 CO 0.08 -0.18 0.84 -0.51 -0.92 0.00 0.00 175.35 174.66 1v27 s LEU 131 N -1.96 4.07 -0.17 3.17 1.43 -1.12 -4.81 118.68 119.29 1v27 s LEU 131 Ca 0.51 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1v27 s LEU 131 Cb -0.36 -4.21 0.01 0.00 0.03 0.00 0.00 46.19 41.66 1v27 s LEU 131 CO 0.47 -0.23 -0.17 -1.10 0.23 0.00 0.00 176.35 175.55 1v27 s GLN 132 N -2.88 3.11 -0.70 1.70 -0.21 0.15 -4.82 119.66 116.02 1v27 s GLN 132 Ca 0.56 -0.78 -0.06 0.00 0.02 0.00 0.00 55.36 55.09 1v27 s GLN 132 Cb -0.11 -2.62 0.18 0.00 1.00 0.00 0.00 33.01 31.46 1v27 s GLN 132 CO 0.17 -0.11 0.56 0.95 -2.12 0.00 0.00 175.29 174.73 1v27 s THR 133 N 1.10 4.33 -0.30 -0.19 -4.23 -1.26 -1.32 115.64 113.77 1v27 s THR 133 Ca 0.00 -2.86 -0.17 0.00 -1.18 0.00 0.00 61.69 57.48 1v27 s THR 133 Cb -0.14 -3.76 0.19 0.00 1.34 0.00 0.00 72.50 70.13 1v27 s THR 133 CO -0.06 -0.93 1.19 -2.28 -0.54 0.00 0.00 174.62 172.00 1v27 s HIS 134 N -0.07 -0.22 -0.41 3.99 5.04 -1.26 -5.10 115.29 117.26 1v27 s HIS 134 Ca 0.18 0.45 -0.29 0.00 -1.54 0.00 0.00 55.06 53.86 1v27 s HIS 134 Cb -0.17 0.18 0.02 0.00 0.04 0.00 0.00 32.58 32.66 1v27 s HIS 134 CO -0.05 -0.11 1.10 -0.51 -2.34 0.00 0.00 174.74 172.82 1v27 s ASP 135 N 0.98 6.74 -0.20 9.88 1.01 -1.26 -4.95 116.67 128.86 1v27 s ASP 135 Ca -0.06 0.67 -0.30 0.00 0.71 0.00 0.00 52.55 53.57 1v27 s ASP 135 Cb -0.03 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.51 1v27 s ASP 135 CO -0.12 -1.09 1.11 -0.55 0.21 0.00 0.00 175.17 174.73 1v27 s SER 136 N 2.13 -0.27 0.00 0.27 0.15 -1.26 -5.19 113.70 109.54 1v27 s SER 136 Ca 0.46 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1v27 s SER 136 Cb -0.09 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1v27 s SER 136 CO 0.25 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1v27 n GLY 137 N 0.72 2.26 3.21 9.45 0.00 -1.26 -5.02 105.19 114.55 1v27 n GLY 137 Ca -0.07 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.09 2.27 -3.76 1.61 -0.04 -1.26 -4.83 135.00 127.91 1v27 n PRO 138 Ca 0.00 -2.51 -0.13 0.00 -0.04 0.00 0.00 63.50 60.82 1v27 n PRO 138 Cb 0.00 -3.33 -0.10 0.00 -0.04 0.00 0.00 33.50 30.04 1v27 n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v27 s SER 139 N 4.67 -0.30 -0.07 3.54 0.15 -1.26 -5.05 113.70 115.38 1v27 s SER 139 Ca 0.56 0.46 -0.05 0.00 0.70 0.00 0.00 55.95 57.62 1v27 s SER 139 Cb 0.09 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1v27 s SER 139 CO 0.06 -0.25 0.11 -1.20 1.20 0.00 0.00 173.24 173.16 1v27 n SER 140 N 2.27 -5.41 0.00 5.45 7.64 -1.26 -5.14 113.62 117.17 1v27 n SER 140 Ca -0.16 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.35 1v27 n SER 140 Cb 0.57 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.63 1v27 n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64