#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 -0.51 0.21 1.61 0.15 -1.26 -4.88 113.70 109.01 1v27 s SER 2 Ca 0.00 0.44 -0.22 0.00 0.70 0.00 0.00 55.95 56.87 1v27 s SER 2 Cb 0.00 0.45 0.05 0.00 -1.71 0.00 0.00 66.02 64.81 1v27 s SER 2 CO 0.00 -0.56 0.65 -0.94 1.20 0.00 0.00 173.24 173.58 1v27 s SER 3 N -1.51 -0.44 0.00 5.45 1.04 -1.26 -5.17 113.70 111.81 1v27 s SER 3 Ca -0.04 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1v27 s SER 3 Cb -0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1v27 s SER 3 CO 0.02 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1v27 n GLY 4 N -0.41 0.14 3.43 7.32 0.00 -1.26 -5.12 105.19 109.29 1v27 n GLY 4 Ca -0.12 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.26 1v27 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v27 s SER 5 N -1.02 -0.28 -0.07 1.61 0.01 -1.26 -5.06 113.70 107.63 1v27 s SER 5 Ca 0.00 -0.37 -0.31 0.00 1.31 0.00 0.00 55.95 56.58 1v27 s SER 5 Cb 0.00 0.54 0.12 0.00 0.21 0.00 0.00 66.02 66.89 1v27 s SER 5 CO 0.00 -0.97 1.06 -0.55 0.41 0.00 0.00 173.24 173.19 1v27 s SER 6 N -2.83 -0.23 0.12 2.44 0.15 -1.26 -5.01 113.70 107.08 1v27 s SER 6 Ca 0.06 -0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.71 1v27 s SER 6 Cb 0.00 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 1v27 s SER 6 CO -0.07 -0.46 0.06 -0.83 1.20 0.00 0.00 173.24 173.13 1v27 s GLY 7 N -2.44 1.85 0.00 9.45 0.00 -1.26 -4.61 107.32 110.31 1v27 s GLY 7 Ca 0.08 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1v27 s GLY 7 CO -0.06 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1v27 n GLY 8 N 0.17 4.88 2.84 0.20 0.00 -1.25 -4.90 105.19 107.12 1v27 n GLY 8 Ca -0.09 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 1v27 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v27 s GLN 9 N 3.99 0.10 -0.07 1.61 -0.21 -0.75 -3.42 119.66 120.92 1v27 s GLN 9 Ca 0.00 0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.46 1v27 s GLN 9 Cb 0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 33.01 33.77 1v27 s GLN 9 CO 0.00 -0.06 -0.17 -1.17 -2.12 0.00 0.00 175.29 171.77 1v27 s LEU 10 N 0.50 2.53 -0.26 2.90 0.20 -0.74 -1.48 118.68 122.33 1v27 s LEU 10 Ca -0.04 -0.32 -0.10 0.00 0.69 0.00 0.00 54.13 54.36 1v27 s LEU 10 Cb -0.07 -1.51 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 1v27 s LEU 10 CO -0.01 0.28 0.14 -0.55 -0.29 0.00 0.00 176.35 175.92 1v27 s SER 11 N -0.34 5.69 -0.04 3.68 0.15 -0.15 -0.53 113.70 122.15 1v27 s SER 11 Ca 0.03 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.62 1v27 s SER 11 Cb -0.13 -2.04 0.01 0.00 -1.71 0.00 0.00 66.02 62.16 1v27 s SER 11 CO 0.02 -0.03 -0.07 -0.63 1.20 0.00 0.00 173.24 173.73 1v27 s ILE 12 N 1.65 0.72 -0.31 6.45 1.01 -1.12 -2.22 121.20 127.37 1v27 s ILE 12 Ca 0.07 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1v27 s ILE 12 Cb -0.15 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1v27 s ILE 12 CO 0.08 0.25 0.13 -0.75 0.00 0.00 0.00 174.94 174.65 1v27 s LYS 13 N 0.63 3.19 -0.00 2.79 2.20 0.89 -3.24 119.74 126.19 1v27 s LYS 13 Ca -0.10 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 1v27 s LYS 13 Cb -0.13 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1v27 s LYS 13 CO 0.01 -0.45 0.06 -0.51 -0.36 0.00 0.00 175.35 174.10 1v27 s LEU 14 N 1.56 3.79 -0.20 5.43 1.43 -1.26 0.01 118.68 129.44 1v27 s LEU 14 Ca 0.03 0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 1v27 s LEU 14 Cb -0.17 -2.20 0.06 0.00 0.03 0.00 0.00 46.19 43.91 1v27 s LEU 14 CO 0.05 0.27 0.50 0.86 0.23 0.00 0.00 176.35 178.26 1v27 s TRP 15 N -1.17 -0.70 0.20 0.29 -0.11 -0.56 -3.10 118.94 113.80 1v27 s TRP 15 Ca 0.22 1.51 -0.10 0.00 1.22 0.00 0.00 56.10 58.94 1v27 s TRP 15 Cb -0.12 0.33 -0.07 0.00 -1.50 0.00 0.00 33.47 32.11 1v27 s TRP 15 CO 0.13 -0.37 0.52 0.12 -4.62 0.00 0.00 176.95 172.74 1v27 s PHE 16 N 1.13 3.47 -0.23 5.86 5.36 -1.26 0.11 117.98 132.43 1v27 s PHE 16 Ca -0.07 0.87 0.02 0.00 -0.96 0.00 0.00 56.93 56.79 1v27 s PHE 16 Cb -0.06 -2.25 0.05 0.00 -0.34 0.00 0.00 43.02 40.42 1v27 s PHE 16 CO -0.11 0.33 -0.10 0.34 -1.46 0.00 0.00 175.22 174.22 1v27 s ASP 17 N -2.20 3.88 -0.02 6.13 -1.08 0.17 -4.84 116.67 118.70 1v27 s ASP 17 Ca 0.44 -1.13 0.19 0.00 -0.52 0.00 0.00 52.55 51.54 1v27 s ASP 17 Cb -0.12 -1.36 -0.22 0.00 -1.46 0.00 0.00 42.92 39.76 1v27 s ASP 17 CO 0.21 -0.17 0.55 2.29 0.52 0.00 0.00 175.17 178.56 1v27 n LYS 18 N 4.58 0.65 0.05 4.34 0.00 -1.26 0.10 118.16 126.61 1v27 n LYS 18 Ca -0.14 0.01 -0.11 0.00 -0.00 0.00 0.00 58.31 58.07 1v27 n LYS 18 Cb 0.45 -1.64 -0.07 0.00 -0.00 0.00 0.00 35.03 33.77 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 -0.11 0.58 -1.51 -1.94 -3.01 116.25 110.25 1v27 h VAL 19 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1v27 h VAL 19 Cb 1.48 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1v27 h VAL 19 CO 0.02 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 1v27 n GLY 20 N -1.31 0.80 2.51 5.19 0.00 -1.26 -4.99 105.19 106.13 1v27 n GLY 20 Ca -0.05 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 1.09 -1.57 -4.47 1.61 -0.00 -0.88 -4.79 115.22 106.20 1v27 n HIS 21 Ca 0.12 0.56 -0.23 0.00 -0.00 0.00 0.00 57.72 58.17 1v27 n HIS 21 Cb 0.48 -3.36 -0.09 0.00 -0.00 0.00 0.00 29.99 27.02 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 -3.59 1.79 -0.17 -0.41 -0.21 0.28 0.14 119.66 117.49 1v27 s GLN 22 Ca 0.20 -2.05 -0.00 0.00 0.02 0.00 0.00 55.36 53.53 1v27 s GLN 22 Cb -0.03 -0.66 0.04 0.00 1.00 0.00 0.00 33.01 33.36 1v27 s GLN 22 CO 0.44 -0.36 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.01 1v27 s LEU 23 N -3.54 1.81 0.00 2.90 2.96 0.52 0.44 118.68 123.77 1v27 s LEU 23 Ca 0.29 -0.73 -0.24 0.00 -0.22 0.00 0.00 54.13 53.24 1v27 s LEU 23 Cb 0.05 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 1v27 s LEU 23 CO 0.15 -0.17 0.71 -0.63 -1.32 0.00 0.00 176.35 175.09 1v27 s ILE 24 N 1.56 4.86 -0.33 6.68 1.09 0.31 0.16 121.20 135.54 1v27 s ILE 24 Ca 0.00 1.50 -0.01 0.00 -1.10 0.00 0.00 60.65 61.03 1v27 s ILE 24 Cb -0.15 -4.05 0.11 0.00 -1.06 0.00 0.00 42.46 37.30 1v27 s ILE 24 CO -0.08 0.34 0.15 -0.69 -0.10 0.00 0.00 174.94 174.56 1v27 s VAL 25 N 0.17 0.46 -0.21 2.92 1.01 0.45 -1.49 120.40 123.71 1v27 s VAL 25 Ca 0.37 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1v27 s VAL 25 Cb -0.19 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1v27 s VAL 25 CO 0.20 -0.78 0.33 -0.89 0.00 0.00 0.00 175.10 173.96 1v27 s THR 26 N 1.54 5.24 -0.81 3.92 2.01 0.10 -0.94 115.64 126.70 1v27 s THR 26 Ca 0.12 0.56 -0.16 0.00 0.31 0.00 0.00 61.69 62.52 1v27 s THR 26 Cb -0.19 -3.67 0.18 0.00 0.01 0.00 0.00 72.50 68.84 1v27 s THR 26 CO -0.21 0.27 0.83 -0.63 -0.69 0.00 0.00 174.62 174.19 1v27 s ILE 27 N 1.26 5.29 0.00 1.82 -1.09 -1.12 -0.08 121.20 127.28 1v27 s ILE 27 Ca 0.16 -2.04 0.00 0.00 -2.23 0.00 0.00 60.65 56.54 1v27 s ILE 27 Cb -0.14 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 1v27 s ILE 27 CO 0.07 -1.14 0.00 0.18 -1.23 0.00 0.00 174.94 172.82 1v27 n LEU 28 N 4.92 0.00 -3.89 2.97 4.77 -0.94 0.17 117.00 124.99 1v27 n LEU 28 Ca 0.12 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 1v27 n LEU 28 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1v27 n LEU 28 CO 0.41 0.00 0.41 -0.83 -1.33 0.00 0.00 177.39 176.06 1v27 s GLY 29 N 0.00 0.05 0.32 -0.72 0.00 -1.17 0.99 107.32 106.80 1v27 s GLY 29 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 44.72 44.36 1v27 s GLY 29 CO 0.00 -0.20 0.24 0.00 0.00 0.00 0.00 173.10 173.13 1v27 s ALA 30 N -3.89 3.71 -0.01 3.20 0.00 -0.60 -0.98 121.76 123.18 1v27 s ALA 30 Ca 0.13 -1.66 -0.26 0.00 0.00 0.00 0.00 51.96 50.18 1v27 s ALA 30 Cb -0.05 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 22.04 1v27 s ALA 30 CO 0.08 0.06 0.58 -1.59 0.00 0.00 0.00 175.76 174.88 1v27 s LYS 31 N -3.93 1.00 -0.41 0.00 0.00 -0.55 -3.44 119.74 112.41 1v27 s LYS 31 Ca 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 55.97 56.37 1v27 s LYS 31 Cb -0.05 0.47 0.00 0.00 0.00 0.00 0.00 37.83 38.24 1v27 s LYS 31 CO 0.25 -0.33 0.36 -3.47 0.00 0.00 0.00 175.35 172.16 1v27 n ASP 32 N 0.78 -3.02 -4.92 0.03 -0.08 -1.26 -1.81 116.55 106.27 1v27 n ASP 32 Ca -0.19 -0.18 -0.27 0.00 -1.51 0.00 0.00 54.79 52.64 1v27 n ASP 32 Cb 0.58 -1.93 -0.02 0.00 2.34 0.00 0.00 41.12 42.09 1v27 n ASP 32 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1v27 s LEU 33 N -3.08 3.94 0.33 -2.67 1.43 -1.25 -3.82 118.68 113.56 1v27 s LEU 33 Ca 0.14 0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 53.66 1v27 s LEU 33 Cb -0.06 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.51 1v27 s LEU 33 CO 0.23 -0.32 1.07 -2.16 0.23 0.00 0.00 176.35 175.40 1v27 s PRO 34 N -4.07 4.43 0.09 1.29 0.04 -1.26 -4.99 135.00 130.52 1v27 s PRO 34 Ca 0.44 1.66 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1v27 s PRO 34 Cb -0.10 -2.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.54 1v27 s PRO 34 CO 0.35 0.06 0.10 -1.13 0.04 0.00 0.00 177.00 176.42 1v27 n SER 35 N 0.62 -0.27 -4.62 6.66 3.41 -1.26 -4.81 113.62 113.34 1v27 n SER 35 Ca 0.02 -1.50 -0.34 0.00 -0.26 0.00 0.00 58.87 56.78 1v27 n SER 35 Cb 0.47 0.55 -0.10 0.00 -0.26 0.00 0.00 64.21 64.87 1v27 n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1v27 s ARG 36 N -2.25 3.74 0.00 4.33 0.52 -1.23 -4.98 118.95 119.08 1v27 s ARG 36 Ca 0.08 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 1v27 s ARG 36 Cb 0.00 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1v27 s ARG 36 CO 0.06 0.35 0.49 0.39 0.02 0.00 0.00 175.30 176.61 1v27 n GLU 37 N 3.25 0.00 -1.68 3.54 1.02 -1.26 -3.49 120.64 122.02 1v27 n GLU 37 Ca -0.17 0.29 -0.29 0.00 -0.02 0.00 0.00 57.16 56.96 1v27 n GLU 37 Cb 0.53 -0.99 0.05 0.00 -0.02 0.00 0.00 31.44 31.01 1v27 n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1v27 n ASP 38 N -0.78 6.29 0.00 1.62 8.00 -1.26 -4.89 116.55 125.53 1v27 n ASP 38 Ca 0.00 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.73 1v27 n ASP 38 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 1v27 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1v27 n GLY 39 N -0.81 1.56 3.17 0.44 0.00 -1.23 -5.17 105.19 103.15 1v27 n GLY 39 Ca 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 2.89 0.78 0.00 1.61 1.81 -1.26 -4.97 118.95 119.81 1v27 s ARG 40 Ca 0.00 -1.10 0.00 0.00 -1.72 0.00 0.00 55.73 52.91 1v27 s ARG 40 Cb 0.00 0.29 0.00 0.00 -0.45 0.00 0.00 34.95 34.79 1v27 s ARG 40 CO 0.00 -0.22 0.00 -0.35 -0.68 0.00 0.00 175.30 174.05 1v27 n PRO 41 N -0.01 0.72 -3.15 3.54 -0.04 -1.26 -3.51 135.00 131.29 1v27 n PRO 41 Ca -0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 1v27 n PRO 41 Cb 0.62 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.24 0.37 -3.83 0.54 1.85 -1.26 -4.86 116.66 109.24 1v27 n ARG 42 Ca 0.00 -1.69 -0.33 0.00 -1.00 0.00 0.00 57.85 54.82 1v27 n ARG 42 Cb 0.00 1.24 -0.12 0.00 -1.05 0.00 0.00 32.46 32.53 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 -2.20 4.79 0.74 2.89 0.01 -1.26 -0.51 114.94 119.40 1v27 s ASN 43 Ca 0.17 -2.92 -0.11 0.00 -0.71 0.00 0.00 52.86 49.29 1v27 s ASN 43 Cb 0.01 -1.75 0.03 0.00 0.41 0.00 0.00 41.25 39.95 1v27 s ASN 43 CO 0.12 -0.30 1.08 -2.16 -1.51 0.00 0.00 177.10 174.32 1v27 s PRO 44 N -0.16 2.58 -0.29 -0.60 0.04 -1.14 -1.25 135.00 134.17 1v27 s PRO 44 Ca 0.17 0.82 -0.17 0.00 0.04 0.00 0.00 61.00 61.85 1v27 s PRO 44 Cb -0.23 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.52 1v27 s PRO 44 CO -0.02 -1.32 1.12 1.52 0.04 0.00 0.00 177.00 178.34 1v27 s TYR 45 N -3.09 -0.34 0.54 0.56 -0.85 -0.53 -2.06 117.35 111.58 1v27 s TYR 45 Ca 0.59 0.70 -0.06 0.00 -0.52 0.00 0.00 57.07 57.78 1v27 s TYR 45 Cb -0.14 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.42 1v27 s TYR 45 CO 0.55 -0.17 0.85 0.08 -1.52 0.00 0.00 175.55 175.34 1v27 s VAL 46 N 1.07 4.33 -0.23 -3.49 1.01 -1.26 -2.20 120.40 119.64 1v27 s VAL 46 Ca -0.07 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1v27 s VAL 46 Cb -0.03 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.79 1v27 s VAL 46 CO -0.12 -0.70 0.32 -0.75 0.00 0.00 0.00 175.10 173.85 1v27 s LYS 47 N -4.88 0.29 0.21 2.72 2.20 -0.22 -3.49 119.74 116.56 1v27 s LYS 47 Ca 0.51 0.44 -0.08 0.00 -0.36 0.00 0.00 55.97 56.47 1v27 s LYS 47 Cb -0.10 -0.70 -0.07 0.00 -1.51 0.00 0.00 37.83 35.45 1v27 s LYS 47 CO 0.46 -0.63 0.50 0.42 -0.36 0.00 0.00 175.35 175.74 1v27 s ILE 48 N 2.47 4.99 -0.30 5.43 1.01 0.16 -1.97 121.20 132.98 1v27 s ILE 48 Ca 0.10 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.15 1v27 s ILE 48 Cb -0.15 -3.62 0.17 0.00 0.01 0.00 0.00 42.46 38.87 1v27 s ILE 48 CO -0.14 -0.04 0.46 -0.31 0.00 0.00 0.00 174.94 174.91 1v27 s TYR 49 N -1.77 -1.18 -0.45 3.97 2.02 -0.23 -2.29 117.35 117.42 1v27 s TYR 49 Ca 0.46 0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 57.26 1v27 s TYR 49 Cb -0.11 -0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.40 1v27 s TYR 49 CO 0.22 -1.02 1.42 0.12 -1.57 0.00 0.00 175.55 174.72 1v27 s PHE 50 N 2.48 2.35 0.62 2.71 2.19 -0.65 -2.62 117.98 125.07 1v27 s PHE 50 Ca 0.11 0.63 -0.15 0.00 0.33 0.00 0.00 56.93 57.84 1v27 s PHE 50 Cb -0.12 -4.33 -0.02 0.00 -1.31 0.00 0.00 43.02 37.24 1v27 s PHE 50 CO -0.26 -1.99 1.07 -0.51 1.83 0.00 0.00 175.22 175.36 1v27 s LEU 51 N 5.68 3.44 0.00 6.12 1.02 -0.98 -4.49 118.68 129.46 1v27 s LEU 51 Ca 0.59 1.85 0.00 0.00 0.02 0.00 0.00 54.13 56.59 1v27 s LEU 51 Cb -0.13 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.55 1v27 s LEU 51 CO 0.31 -1.31 0.00 -0.81 0.02 0.00 0.00 176.35 174.56 1v27 n PRO 52 N -2.21 -0.34 -0.28 1.29 -0.04 -1.26 -4.25 135.00 127.91 1v27 n PRO 52 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1v27 n PRO 52 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 -2.70 -2.66 -0.99 3.54 8.00 -1.26 -4.95 116.55 115.52 1v27 n ASP 53 Ca 0.00 0.21 0.04 0.00 0.71 0.00 0.00 54.79 55.75 1v27 n ASP 53 Cb 0.00 0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.21 1v27 n ASP 53 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1v27 n ARG 54 N -0.70 0.42 -3.66 -1.24 0.63 -1.26 -4.65 116.66 106.20 1v27 n ARG 54 Ca 0.00 -2.10 -0.26 0.00 -0.92 0.00 0.00 57.85 54.56 1v27 n ARG 54 Cb 0.00 -0.55 -0.17 0.00 0.45 0.00 0.00 32.46 32.19 1v27 n ARG 54 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1v27 s SER 55 N -2.11 2.49 0.01 6.15 0.15 -1.26 -5.09 113.70 114.03 1v27 s SER 55 Ca 0.28 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1v27 s SER 55 Cb 0.30 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1v27 s SER 55 CO -0.10 -0.33 0.00 -0.67 1.20 0.00 0.00 173.24 173.35 1v27 n ASP 56 N 5.19 -0.01 0.00 5.45 -0.08 -1.26 -4.59 116.55 121.25 1v27 n ASP 56 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1v27 n ASP 56 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 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 0.00 0.00 -2.21 -0.67 4.76 -1.26 -3.11 118.16 115.67 1v27 n LYS 57 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1v27 n LYS 57 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1v27 n LYS 57 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1v27 n ASN 58 N 2.95 5.96 -4.08 4.39 3.02 -1.26 -4.94 115.26 121.29 1v27 n ASN 58 Ca 0.00 -3.77 -0.32 0.00 -0.03 0.00 0.00 54.58 50.46 1v27 n ASN 58 Cb 0.00 -0.72 -0.15 0.00 -0.61 0.00 0.00 39.78 38.30 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 -3.77 2.39 -0.21 3.52 2.20 -1.18 -1.63 119.74 121.05 1v27 s LYS 59 Ca 0.50 -1.24 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 1v27 s LYS 59 Cb 0.42 -2.82 -0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1v27 s LYS 59 CO -0.28 -0.50 -0.08 1.03 -0.36 0.00 0.00 175.35 175.17 1v27 s ARG 60 N 1.14 3.30 -0.02 4.03 1.81 -0.97 -4.91 118.95 123.34 1v27 s ARG 60 Ca -0.06 -0.67 0.07 0.00 -1.72 0.00 0.00 55.73 53.35 1v27 s ARG 60 Cb -0.19 -2.90 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 1v27 s ARG 60 CO -0.07 -0.18 -0.21 0.50 -0.68 0.00 0.00 175.30 174.66 1v27 s ARG 61 N 1.38 1.76 0.73 3.54 3.52 -1.26 0.36 118.95 128.98 1v27 s ARG 61 Ca 0.05 -0.77 -0.09 0.00 -0.13 0.00 0.00 55.73 54.79 1v27 s ARG 61 Cb -0.14 -1.69 0.06 0.00 -1.56 0.00 0.00 34.95 31.61 1v27 s ARG 61 CO -0.05 0.46 1.08 0.95 -0.81 0.00 0.00 175.30 176.93 1v27 s THR 62 N -0.48 2.49 0.51 4.11 -4.23 -1.23 -5.01 115.64 111.80 1v27 s THR 62 Ca 0.08 -0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 60.33 1v27 s THR 62 Cb -0.08 -3.12 -0.06 0.00 1.34 0.00 0.00 72.50 70.57 1v27 s THR 62 CO -0.01 -0.14 1.38 -1.59 -0.54 0.00 0.00 174.62 173.72 1v27 s LYS 63 N -5.37 3.36 -0.35 3.99 -2.85 -1.26 -4.73 119.74 112.53 1v27 s LYS 63 Ca 0.60 2.28 -0.28 0.00 -1.00 0.00 0.00 55.97 57.57 1v27 s LYS 63 Cb -0.11 -2.41 0.02 0.00 -2.06 0.00 0.00 37.83 33.27 1v27 s LYS 63 CO 0.47 -1.03 1.06 0.99 0.10 0.00 0.00 175.35 176.95 1v27 s THR 64 N -1.27 4.48 0.28 3.79 2.01 -1.26 -4.78 115.64 118.88 1v27 s THR 64 Ca 0.67 1.58 -0.18 0.00 0.31 0.00 0.00 61.69 64.08 1v27 s THR 64 Cb -0.41 -4.43 -0.09 0.00 0.01 0.00 0.00 72.50 67.58 1v27 s THR 64 CO 0.50 -0.57 0.76 -0.69 -0.69 0.00 0.00 174.62 173.93 1v27 s VAL 65 N 3.75 4.58 -0.03 3.82 1.01 -0.87 -5.01 120.40 127.64 1v27 s VAL 65 Ca 0.45 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.68 1v27 s VAL 65 Cb -0.11 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1v27 s VAL 65 CO 0.18 0.00 -0.25 -0.54 0.00 0.00 0.00 175.10 174.49 1v27 s LYS 66 N -2.49 2.25 -0.23 2.72 -0.14 -1.26 -2.89 119.74 117.70 1v27 s LYS 66 Ca 0.49 -0.91 -0.15 0.00 -1.36 0.00 0.00 55.97 54.05 1v27 s LYS 66 Cb -0.13 -2.09 0.02 0.00 -1.68 0.00 0.00 37.83 33.95 1v27 s LYS 66 CO 0.19 0.52 0.28 1.63 -0.76 0.00 0.00 175.35 177.21 1v27 n LYS 67 N 2.57 -1.44 -3.16 1.68 5.02 0.33 -4.94 118.16 118.21 1v27 n LYS 67 Ca -0.16 1.38 0.05 0.00 -2.02 0.00 0.00 58.31 57.56 1v27 n LYS 67 Cb 0.51 -2.35 -0.02 0.00 -0.02 0.00 0.00 35.03 33.15 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 -1.39 -0.09 -0.22 -0.18 -1.32 -1.10 -4.94 115.64 106.40 1v27 s THR 68 Ca 0.15 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.91 1v27 s THR 68 Cb -0.02 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.33 1v27 s THR 68 CO 0.47 0.00 1.78 -0.07 -2.21 0.00 0.00 174.62 174.59 1v27 h LEU 69 N 7.79 0.00 -6.99 9.08 4.07 -1.94 -3.37 115.31 123.95 1v27 h LEU 69 Ca -0.11 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.24 1v27 h LEU 69 Cb 1.17 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 42.50 1v27 h LEU 69 CO -0.16 0.00 -0.72 -1.61 -1.08 0.00 0.00 178.44 174.87 1v27 s GLU 70 N -3.41 1.51 0.53 1.13 2.02 -1.26 -3.89 118.70 115.33 1v27 s GLU 70 Ca 0.05 -2.30 -0.18 0.00 0.02 0.00 0.00 54.97 52.56 1v27 s GLU 70 Cb 0.07 -2.53 -0.06 0.00 0.10 0.00 0.00 34.13 31.71 1v27 s GLU 70 CO 0.60 -1.20 1.04 -1.25 0.02 0.00 0.00 175.26 174.48 1v27 s PRO 71 N -0.03 3.60 -0.32 0.39 0.04 -1.22 -4.84 135.00 132.62 1v27 s PRO 71 Ca 0.20 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 1v27 s PRO 71 Cb -0.19 -2.07 0.11 0.00 0.04 0.00 0.00 34.50 32.40 1v27 s PRO 71 CO -0.04 -0.58 0.15 0.15 0.04 0.00 0.00 177.00 176.71 1v27 s LYS 72 N -3.65 0.44 -0.14 4.56 1.02 -1.26 -1.56 119.74 119.14 1v27 s LYS 72 Ca 0.65 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 1v27 s LYS 72 Cb -0.16 -1.43 -0.24 0.00 -0.52 0.00 0.00 37.83 35.48 1v27 s LYS 72 CO 0.28 -1.06 0.35 -1.49 -0.92 0.00 0.00 175.35 172.51 1v27 h TRP 73 N 7.94 0.35 -6.96 3.18 6.55 0.57 -3.48 115.95 124.11 1v27 h TRP 73 Ca -0.12 -0.25 -0.59 0.00 0.95 0.00 0.00 58.89 58.88 1v27 h TRP 73 Cb 1.00 -0.01 -0.36 0.00 -0.86 0.00 0.00 29.16 28.93 1v27 h TRP 73 CO 0.35 1.68 -0.86 0.09 -1.05 0.00 0.00 178.44 178.64 1v27 n ASN 74 N -3.81 -1.56 -3.61 -3.49 4.13 0.44 -4.88 115.26 102.48 1v27 n ASN 74 Ca -0.31 -1.18 -0.18 0.00 1.68 0.00 0.00 54.58 54.60 1v27 n ASN 74 Cb 0.93 -1.50 0.10 0.00 -1.54 0.00 0.00 39.78 37.77 1v27 n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1v27 n GLN 75 N -3.88 -0.25 -3.98 3.52 1.13 -1.12 -4.84 117.38 107.95 1v27 n GLN 75 Ca 0.09 -1.73 -0.17 0.00 -1.94 0.00 0.00 57.00 53.24 1v27 n GLN 75 Cb 0.44 -0.64 -0.16 0.00 0.11 0.00 0.00 30.24 29.99 1v27 n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1v27 s THR 76 N -2.41 0.24 -0.17 5.09 2.01 -1.26 -2.80 115.64 116.34 1v27 s THR 76 Ca 0.48 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 1v27 s THR 76 Cb -0.02 -0.32 0.05 0.00 0.01 0.00 0.00 72.50 72.22 1v27 s THR 76 CO 0.33 0.16 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.04 1v27 s PHE 77 N 0.96 1.41 -0.06 4.92 0.08 -0.12 -4.94 117.98 120.24 1v27 s PHE 77 Ca -0.10 -0.96 -0.14 0.00 0.12 0.00 0.00 56.93 55.86 1v27 s PHE 77 Cb -0.14 -1.18 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1v27 s PHE 77 CO -0.01 -0.59 0.35 0.42 -0.10 0.00 0.00 175.22 175.28 1v27 s ILE 78 N 1.73 5.18 -0.19 0.64 1.01 -1.25 0.17 121.20 128.48 1v27 s ILE 78 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1v27 s ILE 78 Cb -0.16 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1v27 s ILE 78 CO -0.07 0.53 -0.06 -0.31 0.00 0.00 0.00 174.94 175.02 1v27 s TYR 79 N -0.62 2.02 0.10 3.97 2.02 0.42 -4.85 117.35 120.41 1v27 s TYR 79 Ca 0.21 -1.35 -0.07 0.00 -0.37 0.00 0.00 57.07 55.48 1v27 s TYR 79 Cb -0.15 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 1v27 s TYR 79 CO 0.10 -0.68 0.17 -1.54 -1.57 0.00 0.00 175.55 172.02 1v27 s SER 80 N 1.53 0.17 0.37 2.29 1.04 -1.26 0.19 113.70 118.03 1v27 s SER 80 Ca -0.01 -0.78 -0.25 0.00 0.48 0.00 0.00 55.95 55.39 1v27 s SER 80 Cb -0.16 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 1v27 s SER 80 CO -0.08 -0.74 1.06 -2.16 0.98 0.00 0.00 173.24 172.31 1v27 s PRO 81 N -3.90 4.27 -0.05 4.02 0.04 -1.26 -5.05 135.00 133.06 1v27 s PRO 81 Ca 0.09 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 1v27 s PRO 81 Cb 0.05 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.93 1v27 s PRO 81 CO -0.08 -0.06 0.02 0.08 0.04 0.00 0.00 177.00 177.00 1v27 s VAL 82 N -1.54 0.18 0.27 -0.36 1.01 0.38 -4.95 120.40 115.39 1v27 s VAL 82 Ca 0.55 0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.83 1v27 s VAL 82 Cb -0.24 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1v27 s VAL 82 CO 0.31 0.22 0.09 -1.00 0.00 0.00 0.00 175.10 174.71 1v27 s HIS 83 N 1.89 2.84 -0.78 5.22 3.76 -1.26 -3.60 115.29 123.36 1v27 s HIS 83 Ca 0.03 -0.21 0.25 0.00 -0.15 0.00 0.00 55.06 54.98 1v27 s HIS 83 Cb -0.12 -1.33 0.93 0.00 1.11 0.00 0.00 32.58 33.17 1v27 s HIS 83 CO -0.04 0.54 1.77 -2.13 -0.85 0.00 0.00 174.74 174.03 1v27 n ARG 84 N -1.03 0.16 0.00 1.40 3.00 -1.26 -2.40 116.66 116.53 1v27 n ARG 84 Ca -0.06 0.20 0.12 0.00 -0.00 0.00 0.00 57.85 58.11 1v27 n ARG 84 Cb 0.59 -1.71 0.16 0.00 0.00 0.00 0.00 32.46 31.49 1v27 n ARG 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1v27 n ARG 85 N -1.99 0.83 0.01 -0.14 -4.01 -1.26 -3.86 116.66 106.24 1v27 n ARG 85 Ca 0.05 -0.61 0.11 0.00 -1.04 0.00 0.00 57.85 56.36 1v27 n ARG 85 Cb 0.34 -1.49 -0.09 0.00 -3.04 0.00 0.00 32.46 28.19 1v27 n ARG 85 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1v27 n GLU 86 N -0.55 0.40 -0.00 2.89 -0.58 -1.01 -4.42 120.64 117.37 1v27 n GLU 86 Ca 0.10 -0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.65 1v27 n GLU 86 Cb 0.39 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.65 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 -1.07 0.00 -0.32 -1.00 -1.66 0.61 116.94 113.50 1v27 h PHE 87 Ca 0.00 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1v27 h PHE 87 Cb 0.81 0.49 0.00 0.00 3.61 0.00 0.00 35.95 40.86 1v27 h PHE 87 CO 0.00 -0.45 0.12 0.07 -1.61 0.00 0.00 178.31 176.44 1v27 h ARG 88 N -0.45 0.00 -0.22 1.51 0.11 -1.82 0.56 114.38 114.07 1v27 h ARG 88 Ca 0.09 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.09 1v27 h ARG 88 Cb 0.60 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.63 1v27 h ARG 88 CO -0.38 0.00 -0.10 0.39 0.10 0.00 0.00 179.97 179.98 1v27 n GLU 89 N -2.40 2.01 -3.57 0.08 1.02 0.19 -4.93 120.64 113.04 1v27 n GLU 89 Ca -0.02 -3.00 -0.16 0.00 -0.02 0.00 0.00 57.16 53.96 1v27 n GLU 89 Cb 0.15 -1.74 -0.06 0.00 -0.02 0.00 0.00 31.44 29.77 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 -3.06 0.97 -0.07 3.49 0.52 0.20 -4.94 118.95 116.05 1v27 s ARG 90 Ca 0.41 0.57 -0.07 0.00 -0.52 0.00 0.00 55.73 56.11 1v27 s ARG 90 Cb 0.36 0.46 0.02 0.00 0.52 0.00 0.00 34.95 36.31 1v27 s ARG 90 CO 0.02 -0.23 0.20 1.41 0.02 0.00 0.00 175.30 176.72 1v27 s MET 91 N -0.54 0.28 0.21 3.54 -2.45 -1.26 -2.87 119.30 116.21 1v27 s MET 91 Ca -0.06 0.21 -0.06 0.00 -1.25 0.00 0.00 55.69 54.52 1v27 s MET 91 Cb -0.02 0.13 -0.06 0.00 1.25 0.00 0.00 34.83 36.13 1v27 s MET 91 CO 0.06 -0.04 0.48 -0.51 1.05 0.00 0.00 175.02 176.06 1v27 s LEU 92 N -0.08 4.18 -0.11 4.11 1.43 0.15 -2.33 118.68 126.03 1v27 s LEU 92 Ca -0.02 0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1v27 s LEU 92 Cb -0.02 -3.48 0.04 0.00 0.03 0.00 0.00 46.19 42.77 1v27 s LEU 92 CO 0.01 -0.05 0.06 -0.70 0.23 0.00 0.00 176.35 175.89 1v27 s GLU 93 N -2.97 0.22 0.05 1.70 2.12 -1.08 -1.96 118.70 116.78 1v27 s GLU 93 Ca 0.44 0.04 0.06 0.00 0.36 0.00 0.00 54.97 55.87 1v27 s GLU 93 Cb -0.11 -1.30 -0.03 0.00 0.26 0.00 0.00 34.13 32.94 1v27 s GLU 93 CO 0.25 -0.49 -0.14 0.42 -0.54 0.00 0.00 175.26 174.76 1v27 s ILE 94 N 2.07 3.09 -0.05 -3.70 1.09 0.13 -1.06 121.20 122.77 1v27 s ILE 94 Ca 0.03 -1.12 -0.08 0.00 -1.10 0.00 0.00 60.65 58.39 1v27 s ILE 94 Cb -0.14 -2.34 0.01 0.00 -1.06 0.00 0.00 42.46 38.93 1v27 s ILE 94 CO -0.06 0.30 0.19 0.42 -0.10 0.00 0.00 174.94 175.69 1v27 s THR 95 N -1.00 0.03 -0.11 2.92 -4.23 -0.83 0.14 115.64 112.56 1v27 s THR 95 Ca 0.16 -0.23 -0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1v27 s THR 95 Cb -0.11 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.36 1v27 s THR 95 CO 0.07 -0.13 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.70 1v27 s LEU 96 N -0.41 2.88 0.25 4.79 2.96 -0.89 -1.05 118.68 127.21 1v27 s LEU 96 Ca -0.05 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1v27 s LEU 96 Cb -0.03 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1v27 s LEU 96 CO 0.01 0.23 0.20 0.26 -1.32 0.00 0.00 176.35 175.72 1v27 s TRP 97 N -0.00 1.39 -0.19 5.38 0.52 -0.93 0.15 118.94 125.26 1v27 s TRP 97 Ca -0.02 -1.49 -0.01 0.00 0.02 0.00 0.00 56.10 54.60 1v27 s TRP 97 Cb -0.14 -0.61 0.05 0.00 -1.15 0.00 0.00 33.47 31.62 1v27 s TRP 97 CO 0.04 -0.74 -0.02 0.34 0.02 0.00 0.00 176.95 176.58 1v27 s ASP 98 N -3.24 3.02 -0.86 2.95 2.15 -1.26 -1.45 116.67 117.97 1v27 s ASP 98 Ca 0.39 -0.80 -0.20 0.00 0.43 0.00 0.00 52.55 52.37 1v27 s ASP 98 Cb 0.05 -0.85 -0.21 0.00 -0.30 0.00 0.00 42.92 41.61 1v27 s ASP 98 CO 0.18 -0.24 2.33 1.67 -0.17 0.00 0.00 175.17 178.95 1v27 n GLN 99 N 4.90 0.37 -1.21 4.34 0.00 -0.38 -4.48 117.38 120.92 1v27 n GLN 99 Ca -0.11 -0.53 -0.05 0.00 -0.00 0.00 0.00 57.00 56.31 1v27 n GLN 99 Cb 0.47 -2.74 0.02 0.00 0.00 0.00 0.00 30.24 27.99 1v27 n GLN 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1v27 n ALA 100 N 14.05 0.13 -0.65 1.69 0.00 -1.26 -4.63 120.51 129.84 1v27 n ALA 100 Ca 0.54 -0.47 0.08 0.00 0.00 0.00 0.00 53.44 53.60 1v27 n ALA 100 Cb 0.33 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 1v27 n ALA 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1v27 n ARG 101 N -1.38 -1.17 -0.03 0.00 5.12 -1.26 -4.82 116.66 113.11 1v27 n ARG 101 Ca 0.04 0.77 -0.05 0.00 -1.93 0.00 0.00 57.85 56.68 1v27 n ARG 101 Cb 0.14 -1.43 -0.02 0.00 -1.16 0.00 0.00 32.46 29.99 1v27 n ARG 101 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1v27 n VAL 102 N -2.07 0.29 -3.51 1.55 0.24 -1.26 -4.94 118.33 108.63 1v27 n VAL 102 Ca 0.00 -0.09 -0.29 0.00 -2.04 0.00 0.00 64.34 61.92 1v27 n VAL 102 Cb 0.27 -1.21 -0.12 0.00 -1.47 0.00 0.00 33.84 31.31 1v27 n VAL 102 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1v27 s ARG 103 N -2.10 0.67 0.00 7.34 0.52 -1.26 -5.09 118.95 119.03 1v27 s ARG 103 Ca -0.07 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 1v27 s ARG 103 Cb 0.02 -1.49 0.00 0.00 0.52 0.00 0.00 34.95 34.01 1v27 s ARG 103 CO 0.10 -1.19 0.00 0.39 0.02 0.00 0.00 175.30 174.62 1v27 n GLU 104 N 3.99 0.00 -1.00 3.54 4.71 -1.26 -5.00 120.64 125.62 1v27 n GLU 104 Ca 0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.09 1v27 n GLU 104 Cb 0.37 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.78 1v27 n GLU 104 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1v27 n GLU 105 N -0.41 1.87 -2.94 3.49 1.02 -1.26 -4.90 120.64 117.51 1v27 n GLU 105 Ca 0.00 -1.49 -0.41 0.00 -0.02 0.00 0.00 57.16 55.23 1v27 n GLU 105 Cb 0.00 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 29.67 1v27 n GLU 105 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1v27 s GLU 106 N -1.26 4.22 -0.13 3.49 0.41 -1.26 -5.03 118.70 119.13 1v27 s GLU 106 Ca 0.38 0.89 0.01 0.00 -0.41 0.00 0.00 54.97 55.84 1v27 s GLU 106 Cb 0.25 -3.61 0.02 0.00 -1.78 0.00 0.00 34.13 29.01 1v27 s GLU 106 CO -0.06 -0.41 -0.16 -1.54 -0.49 0.00 0.00 175.26 172.61 1v27 s SER 107 N 1.27 2.65 0.32 -0.19 1.04 -1.26 -4.33 113.70 113.20 1v27 s SER 107 Ca 0.34 -0.48 0.17 0.00 0.48 0.00 0.00 55.95 56.46 1v27 s SER 107 Cb -0.16 -1.19 0.25 0.00 0.10 0.00 0.00 66.02 65.03 1v27 s SER 107 CO 0.10 0.00 1.53 1.05 0.98 0.00 0.00 173.24 176.90 1v27 h GLU 108 N 7.64 0.00 -4.91 4.02 -0.00 -1.97 -3.50 114.58 115.87 1v27 h GLU 108 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 1v27 h GLU 108 Cb 1.16 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.87 1v27 h GLU 108 CO 0.52 0.42 -0.86 0.34 -0.00 0.00 0.00 179.01 179.43 1v27 n PHE 109 N -3.27 -3.15 0.08 2.06 7.35 -1.26 -4.89 117.46 114.38 1v27 n PHE 109 Ca 0.02 1.86 -0.12 0.00 -0.76 0.00 0.00 57.45 58.44 1v27 n PHE 109 Cb 0.66 -2.94 -0.06 0.00 0.35 0.00 0.00 39.48 37.49 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 4.33 0.40 0.00 -2.13 3.38 -0.61 -3.46 115.31 117.21 1v27 h LEU 110 Ca -0.18 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1v27 h LEU 110 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1v27 h LEU 110 CO 0.00 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.33 1v27 n GLY 111 N 1.11 -1.56 2.99 0.83 0.00 -1.03 -4.33 105.19 103.21 1v27 n GLY 111 Ca -0.06 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.35 0.15 -0.18 1.61 -1.05 -0.35 -2.10 118.70 115.43 1v27 s GLU 112 Ca 0.00 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 1v27 s GLU 112 Cb 0.00 0.07 0.04 0.00 -0.44 0.00 0.00 34.13 33.80 1v27 s GLU 112 CO 0.00 -0.02 -0.10 0.42 0.95 0.00 0.00 175.26 176.51 1v27 s ILE 113 N -0.06 1.47 -0.13 1.83 1.01 0.38 -1.44 121.20 124.26 1v27 s ILE 113 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1v27 s ILE 113 Cb -0.01 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1v27 s ILE 113 CO 0.00 0.23 -0.01 -0.76 0.00 0.00 0.00 174.94 174.40 1v27 s LEU 114 N 1.49 3.45 -0.05 2.97 2.01 -1.26 0.22 118.68 127.50 1v27 s LEU 114 Ca 0.01 0.01 -0.00 0.00 0.01 0.00 0.00 54.13 54.16 1v27 s LEU 114 Cb -0.15 -1.82 0.03 0.00 0.01 0.00 0.00 46.19 44.26 1v27 s LEU 114 CO -0.09 0.26 -0.01 -0.63 1.01 0.00 0.00 176.35 176.89 1v27 s ILE 115 N -0.17 0.37 -0.17 -0.59 1.01 -0.83 -5.01 121.20 115.81 1v27 s ILE 115 Ca 0.04 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 1v27 s ILE 115 Cb -0.13 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1v27 s ILE 115 CO 0.02 0.23 0.59 -1.61 0.00 0.00 0.00 174.94 174.17 1v27 s GLU 116 N 1.48 4.26 0.36 2.79 2.02 -1.26 -0.67 118.70 127.69 1v27 s GLU 116 Ca -0.03 0.59 0.09 0.00 0.02 0.00 0.00 54.97 55.64 1v27 s GLU 116 Cb -0.13 -3.53 0.83 0.00 0.10 0.00 0.00 34.13 31.39 1v27 s GLU 116 CO -0.03 -0.11 1.89 -0.07 0.02 0.00 0.00 175.26 176.96 1v27 h LEU 117 N 7.68 0.63 -0.25 1.80 3.38 -1.70 1.16 115.31 128.01 1v27 h LEU 117 Ca -0.35 0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.71 1v27 h LEU 117 Cb 1.16 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1v27 h LEU 117 CO 0.76 0.34 -0.16 -0.08 0.09 0.00 0.00 178.44 179.39 1v27 h GLU 118 N 0.68 -0.13 -0.54 1.13 4.81 -1.73 -1.79 114.58 117.01 1v27 h GLU 118 Ca 0.42 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.45 1v27 h GLU 118 Cb 0.66 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 29.95 1v27 h GLU 118 CO -0.18 -0.09 0.15 0.25 -0.73 0.00 0.00 179.01 178.41 1v27 n THR 119 N -5.32 2.70 -1.29 0.32 -2.24 -0.41 -4.91 114.28 103.14 1v27 n THR 119 Ca -0.01 -2.13 -0.30 0.00 -2.27 0.00 0.00 64.05 59.34 1v27 n THR 119 Cb 0.23 -0.34 0.13 0.00 -2.10 0.00 0.00 70.33 68.25 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 -3.10 1.67 -0.22 6.98 0.00 0.39 -4.82 121.76 122.66 1v27 s ALA 120 Ca 0.49 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1v27 s ALA 120 Cb 0.41 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.42 1v27 s ALA 120 CO 0.07 -2.25 -0.08 -0.51 0.00 0.00 0.00 175.76 172.99 1v27 s LEU 121 N -6.13 2.51 -0.51 0.00 1.43 -1.26 -5.01 118.68 109.71 1v27 s LEU 121 Ca 0.63 -1.05 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1v27 s LEU 121 Cb -0.17 -1.24 0.14 0.00 0.03 0.00 0.00 46.19 44.95 1v27 s LEU 121 CO 0.56 -0.18 0.29 -0.76 0.23 0.00 0.00 176.35 176.49 1v27 s LEU 122 N 1.37 3.58 -0.06 1.79 2.01 -1.26 -4.30 118.68 121.80 1v27 s LEU 122 Ca -0.04 -3.00 0.21 0.00 0.01 0.00 0.00 54.13 51.32 1v27 s LEU 122 Cb -0.18 -1.33 0.39 0.00 0.01 0.00 0.00 46.19 45.08 1v27 s LEU 122 CO -0.07 -0.22 1.15 -0.67 1.01 0.00 0.00 176.35 177.55 1v27 n ASP 123 N 3.09 0.74 -3.41 2.29 2.03 -1.20 -4.40 116.55 115.69 1v27 n ASP 123 Ca 0.10 -2.01 -0.24 0.00 0.52 0.00 0.00 54.79 53.16 1v27 n ASP 123 Cb 0.34 -0.22 -0.01 0.00 -0.72 0.00 0.00 41.12 40.52 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1v27 n ASP 124 N 0.15 -3.44 -4.24 1.67 2.03 -1.18 -4.92 116.55 106.63 1v27 n ASP 124 Ca 0.01 -0.41 -0.33 0.00 0.52 0.00 0.00 54.79 54.57 1v27 n ASP 124 Cb 1.01 -2.86 -0.15 0.00 -0.72 0.00 0.00 41.12 38.40 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 -6.06 3.19 -0.07 -0.67 2.02 -1.26 -5.02 118.70 110.83 1v27 s GLU 125 Ca 0.41 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 1v27 s GLU 125 Cb -0.22 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 1v27 s GLU 125 CO 0.51 -0.08 1.23 -1.25 0.02 0.00 0.00 175.26 175.69 1v27 s PRO 126 N 1.05 4.32 -0.05 0.39 0.04 -1.26 -4.43 135.00 135.06 1v27 s PRO 126 Ca -0.01 1.70 0.05 0.00 0.04 0.00 0.00 61.00 62.78 1v27 s PRO 126 Cb -0.15 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.79 1v27 s PRO 126 CO -0.04 -0.51 -0.20 -1.01 0.04 0.00 0.00 177.00 175.28 1v27 s HIS 127 N 2.46 2.03 -0.52 0.56 3.76 -1.20 -4.99 115.29 117.39 1v27 s HIS 127 Ca 0.56 -0.62 -0.23 0.00 -0.15 0.00 0.00 55.06 54.63 1v27 s HIS 127 Cb -0.25 -1.35 0.04 0.00 1.11 0.00 0.00 32.58 32.13 1v27 s HIS 127 CO 0.21 -0.21 0.85 -1.58 -0.85 0.00 0.00 174.74 173.16 1v27 s TRP 128 N 0.01 2.88 0.08 1.40 0.52 -1.26 -2.80 118.94 119.77 1v27 s TRP 128 Ca -0.05 -0.09 -0.16 0.00 0.02 0.00 0.00 56.10 55.82 1v27 s TRP 128 Cb -0.13 -3.89 -0.06 0.00 -1.15 0.00 0.00 33.47 28.24 1v27 s TRP 128 CO 0.03 -1.22 0.51 0.71 0.02 0.00 0.00 176.95 177.01 1v27 s TYR 129 N 3.56 3.70 0.38 -1.98 2.02 0.31 -4.86 117.35 120.48 1v27 s TYR 129 Ca 0.27 1.10 -0.25 0.00 -0.37 0.00 0.00 57.07 57.83 1v27 s TYR 129 Cb -0.14 -2.38 -0.09 0.00 -0.40 0.00 0.00 41.96 38.95 1v27 s TYR 129 CO 0.18 0.54 1.03 0.15 -1.57 0.00 0.00 175.55 175.88 1v27 s LYS 130 N -1.46 4.27 0.01 -0.62 1.02 -1.26 -1.79 119.74 119.90 1v27 s LYS 130 Ca 0.31 1.48 -0.14 0.00 0.02 0.00 0.00 55.97 57.64 1v27 s LYS 130 Cb -0.17 -2.60 -0.06 0.00 -0.52 0.00 0.00 37.83 34.48 1v27 s LYS 130 CO 0.18 -0.04 0.40 -0.51 -0.92 0.00 0.00 175.35 174.45 1v27 s LEU 131 N -2.50 4.45 -0.24 3.17 1.43 -1.22 -4.74 118.68 119.04 1v27 s LEU 131 Ca 0.56 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1v27 s LEU 131 Cb -0.21 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.40 1v27 s LEU 131 CO 0.27 0.31 -0.06 -1.10 0.23 0.00 0.00 176.35 176.00 1v27 s GLN 132 N -1.19 3.05 -0.62 1.70 -1.52 -0.52 -4.80 119.66 115.76 1v27 s GLN 132 Ca 0.25 -0.83 -0.16 0.00 -1.95 0.00 0.00 55.36 52.67 1v27 s GLN 132 Cb -0.16 -2.98 0.15 0.00 -0.22 0.00 0.00 33.01 29.80 1v27 s GLN 132 CO 0.14 -0.32 0.58 0.95 -0.25 0.00 0.00 175.29 176.38 1v27 s THR 133 N 1.39 5.31 0.15 -0.19 -4.23 -1.26 -1.21 115.64 115.60 1v27 s THR 133 Ca 0.03 -1.75 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1v27 s THR 133 Cb -0.15 -4.38 0.01 0.00 1.34 0.00 0.00 72.50 69.32 1v27 s THR 133 CO -0.04 -0.92 0.35 -2.28 -0.54 0.00 0.00 174.62 171.19 1v27 s HIS 134 N 1.24 0.11 0.18 3.99 5.04 -1.26 -5.08 115.29 119.51 1v27 s HIS 134 Ca 0.07 -0.47 -0.07 0.00 -1.54 0.00 0.00 55.06 53.05 1v27 s HIS 134 Cb -0.25 0.12 -0.06 0.00 0.04 0.00 0.00 32.58 32.43 1v27 s HIS 134 CO -0.00 -0.74 0.46 -0.51 -2.34 0.00 0.00 174.74 171.61 1v27 s ASP 135 N -2.90 6.56 -0.09 9.88 1.01 -1.26 -5.01 116.67 124.87 1v27 s ASP 135 Ca 0.10 0.75 -0.31 0.00 0.71 0.00 0.00 52.55 53.80 1v27 s ASP 135 Cb 0.02 -2.16 0.12 0.00 1.01 0.00 0.00 42.92 41.91 1v27 s ASP 135 CO -0.05 -0.00 1.02 -0.94 0.21 0.00 0.00 175.17 175.41 1v27 s SER 136 N -2.38 -0.28 0.27 0.27 1.04 -1.26 -5.19 113.70 106.17 1v27 s SER 136 Ca 0.44 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.79 1v27 s SER 136 Cb -0.12 0.29 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 1v27 s SER 136 CO 0.23 -0.45 0.49 -0.83 0.98 0.00 0.00 173.24 173.66 1v27 s GLY 137 N -2.24 0.74 1.06 7.32 0.00 -1.26 -5.17 107.32 107.76 1v27 s GLY 137 Ca 0.06 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 43.59 1v27 s GLY 137 CO -0.07 -0.70 1.21 2.56 0.00 0.00 0.00 173.10 176.11 1v27 s PRO 138 N -3.72 -0.14 -0.54 2.90 0.04 -1.26 -5.04 135.00 127.24 1v27 s PRO 138 Ca 0.24 -0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.12 1v27 s PRO 138 Cb -0.01 -1.73 0.14 0.00 0.04 0.00 0.00 34.50 32.94 1v27 s PRO 138 CO 0.11 -2.97 0.31 -1.54 0.04 0.00 0.00 177.00 172.95 1v27 s SER 139 N -4.37 4.15 -0.12 6.66 1.04 -1.26 -4.94 113.70 114.86 1v27 s SER 139 Ca 0.72 -3.11 -0.04 0.00 0.48 0.00 0.00 55.95 54.00 1v27 s SER 139 Cb -0.07 -1.44 0.01 0.00 0.10 0.00 0.00 66.02 64.62 1v27 s SER 139 CO 0.54 -0.20 0.07 -0.24 0.98 0.00 0.00 173.24 174.39 1v27 n SER 140 N 2.94 -5.45 0.00 7.02 2.88 -1.26 -5.33 113.62 114.42 1v27 n SER 140 Ca 0.10 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1v27 n SER 140 Cb 0.34 -3.46 0.00 0.00 -0.75 0.00 0.00 64.21 60.34 1v27 n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42