#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 -0.27 1.04 1.61 0.15 -1.26 -5.17 113.70 109.79 1v27 s SER 2 Ca 0.00 0.43 -0.17 0.00 0.70 0.00 0.00 55.95 56.91 1v27 s SER 2 Cb 0.00 1.13 0.23 0.00 -1.71 0.00 0.00 66.02 65.67 1v27 s SER 2 CO 0.00 -0.07 1.26 -0.44 1.20 0.00 0.00 173.24 175.19 1v27 s SER 3 N 1.27 2.43 0.00 5.45 0.01 -1.26 -4.96 113.70 116.63 1v27 s SER 3 Ca -0.08 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1v27 s SER 3 Cb -0.03 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.71 1v27 s SER 3 CO -0.12 -3.17 0.00 0.61 0.41 0.00 0.00 173.24 170.97 1v27 n GLY 4 N -2.89 0.41 3.48 3.44 0.00 -1.25 -4.60 105.19 103.77 1v27 n GLY 4 Ca 0.15 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.46 -0.18 1.61 1.04 -1.26 -4.99 113.70 109.46 1v27 s SER 5 Ca 0.00 -0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.30 1v27 s SER 5 Cb 0.00 0.50 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1v27 s SER 5 CO 0.00 -0.82 0.20 -1.20 0.98 0.00 0.00 173.24 172.39 1v27 n SER 6 N -0.32 -1.36 -4.76 7.02 7.64 -1.26 -4.87 113.62 115.71 1v27 n SER 6 Ca -0.13 1.21 -0.37 0.00 1.01 0.00 0.00 58.87 60.59 1v27 n SER 6 Cb 0.63 -4.82 0.01 0.00 -1.01 0.00 0.00 64.21 59.02 1v27 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v27 s GLY 7 N -0.71 2.80 0.00 0.23 0.00 -1.26 -4.79 107.32 103.59 1v27 s GLY 7 Ca -0.23 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.54 1v27 s GLY 7 CO 0.71 1.51 0.00 0.61 0.00 0.00 0.00 173.10 175.93 1v27 n GLY 8 N 0.52 1.03 3.12 0.20 0.00 -1.26 -4.52 105.19 104.27 1v27 n GLY 8 Ca 0.09 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 1v27 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v27 s GLN 9 N 4.30 0.26 -0.07 1.61 -0.21 -1.11 -0.69 119.66 123.75 1v27 s GLN 9 Ca 0.00 0.85 -0.03 0.00 0.02 0.00 0.00 55.36 56.20 1v27 s GLN 9 Cb 0.00 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 34.04 1v27 s GLN 9 CO 0.00 -0.33 0.07 -1.17 -2.12 0.00 0.00 175.29 171.74 1v27 s LEU 10 N 2.53 3.93 -0.31 2.90 2.96 0.39 -1.28 118.68 129.80 1v27 s LEU 10 Ca 0.01 0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 54.09 1v27 s LEU 10 Cb -0.13 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1v27 s LEU 10 CO -0.12 0.36 0.12 -0.44 -1.32 0.00 0.00 176.35 174.95 1v27 s SER 11 N -1.19 5.37 -0.08 3.68 0.01 -0.67 -0.37 113.70 120.46 1v27 s SER 11 Ca 0.17 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.73 1v27 s SER 11 Cb -0.12 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.18 1v27 s SER 11 CO 0.06 -0.23 -0.15 -0.63 0.41 0.00 0.00 173.24 172.70 1v27 s ILE 12 N 1.54 1.37 -0.32 1.44 1.01 -1.21 -1.68 121.20 123.35 1v27 s ILE 12 Ca 0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 1v27 s ILE 12 Cb -0.18 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1v27 s ILE 12 CO 0.04 0.41 0.15 -0.75 0.00 0.00 0.00 174.94 174.79 1v27 s LYS 13 N 0.64 3.21 0.02 2.79 2.20 -0.05 -3.86 119.74 124.69 1v27 s LYS 13 Ca -0.14 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.66 1v27 s LYS 13 Cb -0.16 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1v27 s LYS 13 CO 0.04 -0.47 0.14 -0.51 -0.36 0.00 0.00 175.35 174.19 1v27 s LEU 14 N 1.59 4.13 -0.24 5.43 1.43 -1.26 -1.18 118.68 128.58 1v27 s LEU 14 Ca 0.04 0.22 -0.22 0.00 -1.03 0.00 0.00 54.13 53.13 1v27 s LEU 14 Cb -0.17 -2.55 0.06 0.00 0.03 0.00 0.00 46.19 43.56 1v27 s LEU 14 CO 0.06 0.24 0.64 0.86 0.23 0.00 0.00 176.35 178.38 1v27 s TRP 15 N -1.32 -0.70 0.01 0.29 -0.11 -0.81 -2.76 118.94 113.54 1v27 s TRP 15 Ca 0.28 1.71 -0.00 0.00 1.22 0.00 0.00 56.10 59.30 1v27 s TRP 15 Cb -0.12 0.24 -0.04 0.00 -1.50 0.00 0.00 33.47 32.05 1v27 s TRP 15 CO 0.19 -0.34 0.09 0.12 -4.62 0.00 0.00 176.95 172.39 1v27 s PHE 16 N 0.31 3.30 -0.18 5.86 5.36 -1.26 0.85 117.98 132.22 1v27 s PHE 16 Ca -0.00 0.20 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 1v27 s PHE 16 Cb -0.04 -1.73 0.03 0.00 -0.34 0.00 0.00 43.02 40.94 1v27 s PHE 16 CO 0.01 0.56 -0.16 0.34 -1.46 0.00 0.00 175.22 174.51 1v27 s ASP 17 N -1.87 3.16 0.14 6.13 2.15 0.11 -4.90 116.67 121.58 1v27 s ASP 17 Ca 0.25 -0.71 0.22 0.00 0.43 0.00 0.00 52.55 52.74 1v27 s ASP 17 Cb -0.12 -1.35 -0.08 0.00 -0.30 0.00 0.00 42.92 41.07 1v27 s ASP 17 CO 0.16 -0.06 0.90 2.29 -0.17 0.00 0.00 175.17 178.29 1v27 n LYS 18 N 4.66 0.62 -0.02 4.34 0.00 -1.26 -0.23 118.16 126.27 1v27 n LYS 18 Ca -0.18 0.08 -0.03 0.00 -0.00 0.00 0.00 58.31 58.18 1v27 n LYS 18 Cb 0.49 -1.77 -0.02 0.00 -0.00 0.00 0.00 35.03 33.73 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 -0.23 0.58 -1.51 -1.95 -3.12 116.25 110.02 1v27 h VAL 19 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1v27 h VAL 19 Cb 1.09 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1v27 h VAL 19 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 1v27 n GLY 20 N -1.07 1.51 2.52 5.19 0.00 -1.26 -5.00 105.19 107.08 1v27 n GLY 20 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 1v27 n GLY 20 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1v27 n HIS 21 N 0.65 -1.88 -4.28 1.61 -0.00 -0.86 -4.77 115.22 105.68 1v27 n HIS 21 Ca 0.10 0.71 -0.16 0.00 -0.00 0.00 0.00 57.72 58.38 1v27 n HIS 21 Cb 0.39 -3.24 -0.10 0.00 -0.00 0.00 0.00 29.99 27.04 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 -3.13 1.15 -0.27 -0.41 -0.21 0.69 0.02 119.66 117.49 1v27 s GLN 22 Ca 0.04 -1.50 -0.04 0.00 0.02 0.00 0.00 55.36 53.88 1v27 s GLN 22 Cb -0.01 -0.77 0.02 0.00 1.00 0.00 0.00 33.01 33.25 1v27 s GLN 22 CO 0.48 0.10 0.01 -1.17 -2.12 0.00 0.00 175.29 172.59 1v27 s LEU 23 N -3.22 3.56 0.02 2.90 2.96 0.39 0.03 118.68 125.32 1v27 s LEU 23 Ca 0.19 -0.83 -0.25 0.00 -0.22 0.00 0.00 54.13 53.01 1v27 s LEU 23 Cb 0.02 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1v27 s LEU 23 CO 0.03 -0.17 0.79 -0.63 -1.32 0.00 0.00 176.35 175.05 1v27 s ILE 24 N 1.40 4.81 -0.26 6.68 1.09 0.25 0.53 121.20 135.70 1v27 s ILE 24 Ca 0.01 1.66 -0.04 0.00 -1.10 0.00 0.00 60.65 61.19 1v27 s ILE 24 Cb -0.17 -4.13 0.09 0.00 -1.06 0.00 0.00 42.46 37.18 1v27 s ILE 24 CO -0.01 0.31 0.11 -0.69 -0.10 0.00 0.00 174.94 174.55 1v27 s VAL 25 N 0.29 0.15 -0.27 2.92 1.01 0.40 -1.92 120.40 122.98 1v27 s VAL 25 Ca 0.40 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1v27 s VAL 25 Cb -0.20 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1v27 s VAL 25 CO 0.23 -0.57 0.08 -0.89 0.00 0.00 0.00 175.10 173.95 1v27 s THR 26 N 2.00 4.28 -0.72 3.92 2.01 -0.33 0.23 115.64 127.03 1v27 s THR 26 Ca 0.07 -0.32 -0.21 0.00 0.31 0.00 0.00 61.69 61.53 1v27 s THR 26 Cb -0.16 -3.07 0.09 0.00 0.01 0.00 0.00 72.50 69.36 1v27 s THR 26 CO -0.26 0.24 0.98 -0.63 -0.69 0.00 0.00 174.62 174.26 1v27 s ILE 27 N 1.59 4.47 0.00 1.82 -1.09 -1.01 -0.87 121.20 126.12 1v27 s ILE 27 Ca 0.05 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 1v27 s ILE 27 Cb -0.16 -4.69 0.00 0.00 -1.58 0.00 0.00 42.46 36.03 1v27 s ILE 27 CO 0.04 -1.44 0.00 0.18 -1.23 0.00 0.00 174.94 172.49 1v27 n LEU 28 N 7.28 0.00 -3.46 2.97 4.77 -0.68 0.19 117.00 128.08 1v27 n LEU 28 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 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 0.60 0.00 0.53 -0.83 -1.33 0.00 0.00 177.39 176.36 1v27 s GLY 29 N 0.00 -0.55 0.66 -0.72 0.00 -1.19 0.87 107.32 106.39 1v27 s GLY 29 Ca 0.00 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1v27 s GLY 29 CO 0.00 0.23 0.91 0.00 0.00 0.00 0.00 173.10 174.25 1v27 s ALA 30 N -3.48 3.83 0.19 3.20 0.00 -1.01 -1.67 121.76 122.83 1v27 s ALA 30 Ca 0.03 -1.63 -0.22 0.00 0.00 0.00 0.00 51.96 50.13 1v27 s ALA 30 Cb -0.01 -1.99 0.06 0.00 0.00 0.00 0.00 23.12 21.17 1v27 s ALA 30 CO -0.11 -1.20 0.63 -1.59 0.00 0.00 0.00 175.76 173.49 1v27 s LYS 31 N -5.00 1.42 -1.32 0.00 0.00 -0.41 -3.94 119.74 110.50 1v27 s LYS 31 Ca 0.63 -0.62 -0.02 0.00 0.00 0.00 0.00 55.97 55.97 1v27 s LYS 31 Cb -0.07 0.59 -0.00 0.00 0.00 0.00 0.00 37.83 38.35 1v27 s LYS 31 CO 0.42 -0.63 0.63 -0.25 0.00 0.00 0.00 175.35 175.52 1v27 n ASP 32 N -0.40 -1.29 -4.89 0.03 9.92 -1.26 -2.76 116.55 115.89 1v27 n ASP 32 Ca -0.13 -0.89 -0.29 0.00 -0.53 0.00 0.00 54.79 52.95 1v27 n ASP 32 Cb 0.63 -3.74 -0.02 0.00 -0.64 0.00 0.00 41.12 37.35 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 -6.72 3.72 0.03 0.64 1.43 -1.24 -4.42 118.68 112.12 1v27 s LEU 33 Ca 0.04 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 1v27 s LEU 33 Cb -0.01 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 1v27 s LEU 33 CO 0.84 -0.49 1.18 -2.16 0.23 0.00 0.00 176.35 175.95 1v27 s PRO 34 N -4.27 4.42 0.18 1.29 0.04 -1.26 -5.01 135.00 130.39 1v27 s PRO 34 Ca 0.50 1.72 0.02 0.00 0.04 0.00 0.00 61.00 63.27 1v27 s PRO 34 Cb -0.10 -3.41 0.02 0.00 0.04 0.00 0.00 34.50 31.05 1v27 s PRO 34 CO 0.38 -0.28 0.18 -1.13 0.04 0.00 0.00 177.00 176.19 1v27 n SER 35 N 4.23 1.14 -4.50 6.66 3.41 -1.26 -4.85 113.62 118.45 1v27 n SER 35 Ca 0.09 -1.54 -0.24 0.00 -0.26 0.00 0.00 58.87 56.92 1v27 n SER 35 Cb 0.47 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.76 1.71 1.11 4.33 0.52 -1.13 -5.05 118.95 117.70 1v27 s ARG 36 Ca 0.14 -1.90 -0.18 0.00 -0.52 0.00 0.00 55.73 53.27 1v27 s ARG 36 Cb -0.01 -1.39 0.12 0.00 0.52 0.00 0.00 34.95 34.19 1v27 s ARG 36 CO 0.09 0.04 0.04 0.39 0.02 0.00 0.00 175.30 175.88 1v27 n GLU 37 N -0.72 -1.84 0.00 3.54 -0.58 -1.26 -3.40 120.64 116.38 1v27 n GLU 37 Ca -0.05 -0.53 0.00 0.00 -0.42 0.00 0.00 57.16 56.16 1v27 n GLU 37 Cb 0.64 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1v27 n GLU 37 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1v27 n ASP 38 N -1.63 0.00 0.00 1.62 8.00 -1.26 -2.80 116.55 120.48 1v27 n ASP 38 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1v27 n ASP 38 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 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 0.00 0.00 3.41 0.44 0.00 -1.22 -5.14 105.19 102.68 1v27 n GLY 39 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1v27 n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v27 s ARG 40 N 0.00 3.41 0.00 1.61 3.00 -1.12 -5.00 118.95 120.85 1v27 s ARG 40 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 55.73 55.08 1v27 s ARG 40 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 34.95 31.55 1v27 s ARG 40 CO 0.00 -0.32 0.00 -0.35 0.00 0.00 0.00 175.30 174.63 1v27 n PRO 41 N 4.92 0.63 -3.13 3.54 -0.04 -1.26 -2.82 135.00 136.85 1v27 n PRO 41 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 1v27 n PRO 41 Cb 0.50 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.92 1v27 n PRO 41 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1v27 n ARG 42 N -0.31 0.25 -3.80 0.54 1.85 -1.26 -4.84 116.66 109.09 1v27 n ARG 42 Ca 0.00 -1.73 -0.34 0.00 -1.00 0.00 0.00 57.85 54.78 1v27 n ARG 42 Cb 0.00 1.47 -0.11 0.00 -1.05 0.00 0.00 32.46 32.77 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 -2.24 4.95 0.89 2.89 0.01 -1.26 -0.10 114.94 120.09 1v27 s ASN 43 Ca 0.20 -3.03 -0.12 0.00 -0.71 0.00 0.00 52.86 49.20 1v27 s ASN 43 Cb 0.01 -1.78 0.13 0.00 0.41 0.00 0.00 41.25 40.02 1v27 s ASN 43 CO 0.14 -0.29 1.13 -2.16 -1.51 0.00 0.00 177.10 174.41 1v27 s PRO 44 N -0.32 1.30 -0.30 -0.60 0.04 -1.10 -1.55 135.00 132.47 1v27 s PRO 44 Ca 0.18 0.35 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 1v27 s PRO 44 Cb -0.21 -1.85 0.21 0.00 0.04 0.00 0.00 34.50 32.69 1v27 s PRO 44 CO -0.03 -2.10 1.28 1.52 0.04 0.00 0.00 177.00 177.71 1v27 s TYR 45 N -3.25 -0.05 0.46 0.56 -0.85 -0.92 -1.68 117.35 111.62 1v27 s TYR 45 Ca 0.63 0.09 -0.05 0.00 -0.52 0.00 0.00 57.07 57.22 1v27 s TYR 45 Cb -0.15 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 1v27 s TYR 45 CO 0.53 -0.02 0.76 0.08 -1.52 0.00 0.00 175.55 175.38 1v27 s VAL 46 N 1.27 4.91 -0.24 -3.49 1.01 -1.26 -2.95 120.40 119.65 1v27 s VAL 46 Ca -0.06 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1v27 s VAL 46 Cb -0.02 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.64 1v27 s VAL 46 CO -0.11 -0.77 0.31 -0.75 0.00 0.00 0.00 175.10 173.78 1v27 s LYS 47 N -4.56 0.29 0.26 2.72 2.20 -1.00 -3.41 119.74 116.25 1v27 s LYS 47 Ca 0.47 0.31 -0.06 0.00 -0.36 0.00 0.00 55.97 56.33 1v27 s LYS 47 Cb -0.10 -0.75 -0.06 0.00 -1.51 0.00 0.00 37.83 35.41 1v27 s LYS 47 CO 0.42 -0.72 0.53 0.42 -0.36 0.00 0.00 175.35 175.65 1v27 s ILE 48 N 2.44 5.02 -0.31 5.43 1.01 0.22 -3.16 121.20 131.86 1v27 s ILE 48 Ca 0.10 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.92 1v27 s ILE 48 Cb -0.15 -3.70 0.17 0.00 0.01 0.00 0.00 42.46 38.79 1v27 s ILE 48 CO -0.17 -0.23 0.48 -0.31 0.00 0.00 0.00 174.94 174.70 1v27 s TYR 49 N -1.99 -1.28 -0.62 3.97 2.02 -1.22 -2.69 117.35 115.55 1v27 s TYR 49 Ca 0.44 0.44 -0.26 0.00 -0.37 0.00 0.00 57.07 57.32 1v27 s TYR 49 Cb -0.11 0.01 -0.08 0.00 -0.40 0.00 0.00 41.96 41.38 1v27 s TYR 49 CO 0.28 -1.04 2.33 0.12 -1.57 0.00 0.00 175.55 175.67 1v27 s PHE 50 N 2.46 1.18 0.79 2.71 5.36 -1.22 -3.60 117.98 125.67 1v27 s PHE 50 Ca 0.11 1.58 -0.11 0.00 -0.96 0.00 0.00 56.93 57.56 1v27 s PHE 50 Cb -0.11 -3.61 0.07 0.00 -0.34 0.00 0.00 43.02 39.03 1v27 s PHE 50 CO -0.24 -2.17 1.09 -0.51 -1.46 0.00 0.00 175.22 171.93 1v27 s LEU 51 N 12.64 2.90 0.00 6.12 1.02 -0.54 -4.62 118.68 136.20 1v27 s LEU 51 Ca 0.92 1.76 -0.03 0.00 0.02 0.00 0.00 54.13 56.79 1v27 s LEU 51 Cb -0.15 -4.41 0.05 0.00 0.02 0.00 0.00 46.19 41.70 1v27 s LEU 51 CO 0.18 -2.14 0.22 -0.81 0.02 0.00 0.00 176.35 173.83 1v27 n PRO 52 N -3.58 -0.81 -0.92 1.29 -0.04 -1.26 -3.45 135.00 126.23 1v27 n PRO 52 Ca 0.09 -0.35 0.04 0.00 -0.04 0.00 0.00 63.50 63.23 1v27 n PRO 52 Cb 0.53 -0.28 -0.02 0.00 -0.04 0.00 0.00 33.50 33.70 1v27 n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1v27 n ASP 53 N -3.25 -4.95 -3.44 3.54 -0.08 -1.26 -4.97 116.55 102.13 1v27 n ASP 53 Ca 0.03 1.04 -0.19 0.00 -1.51 0.00 0.00 54.79 54.16 1v27 n ASP 53 Cb 0.11 -2.77 -0.11 0.00 2.34 0.00 0.00 41.12 40.68 1v27 n ASP 53 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1v27 s ARG 54 N -4.48 0.28 0.09 -0.67 0.52 -1.26 -4.70 118.95 108.73 1v27 s ARG 54 Ca 0.00 -0.11 -0.21 0.00 -0.52 0.00 0.00 55.73 54.89 1v27 s ARG 54 Cb 0.00 -0.84 0.07 0.00 0.52 0.00 0.00 34.95 34.70 1v27 s ARG 54 CO 0.00 -0.94 0.98 0.45 0.02 0.00 0.00 175.30 175.81 1v27 n SER 55 N 5.31 -1.34 -3.24 0.23 2.88 -1.26 -5.14 113.62 111.05 1v27 n SER 55 Ca -0.03 -1.58 -0.27 0.00 -1.33 0.00 0.00 58.87 55.65 1v27 n SER 55 Cb 0.46 2.15 0.26 0.00 -0.75 0.00 0.00 64.21 66.34 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 -1.11 -3.63 0.00 -3.46 2.03 -1.26 -3.16 116.55 105.95 1v27 n ASP 56 Ca 0.00 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.47 1v27 n ASP 56 Cb 0.51 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 1v27 n ASP 56 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1v27 n LYS 57 N -5.28 0.00 -1.30 -0.67 3.00 -1.26 -4.12 118.16 108.52 1v27 n LYS 57 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.14 1v27 n LYS 57 Cb 0.54 0.00 0.12 0.00 0.00 0.00 0.00 35.03 35.68 1v27 n LYS 57 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1v27 n ASN 58 N 4.25 6.11 -4.47 3.14 6.94 -1.26 -4.93 115.26 125.04 1v27 n ASN 58 Ca 0.00 -3.73 -0.27 0.00 -0.02 0.00 0.00 54.58 50.56 1v27 n ASN 58 Cb 0.00 -0.90 -0.11 0.00 -2.36 0.00 0.00 39.78 36.41 1v27 n ASN 58 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1v27 s LYS 59 N -3.62 1.71 -0.06 -3.83 2.20 -1.19 -3.37 119.74 111.57 1v27 s LYS 59 Ca 0.61 -1.41 -0.03 0.00 -0.36 0.00 0.00 55.97 54.78 1v27 s LYS 59 Cb 0.49 -1.97 0.04 0.00 -1.51 0.00 0.00 37.83 34.89 1v27 s LYS 59 CO 0.03 0.42 0.12 1.03 -0.36 0.00 0.00 175.35 176.59 1v27 s ARG 60 N -2.66 0.01 0.05 4.03 1.81 -1.10 -5.00 118.95 116.09 1v27 s ARG 60 Ca 0.22 0.46 0.04 0.00 -1.72 0.00 0.00 55.73 54.72 1v27 s ARG 60 Cb -0.08 -0.32 -0.03 0.00 -0.45 0.00 0.00 34.95 34.07 1v27 s ARG 60 CO 0.11 -0.28 -0.11 0.50 -0.68 0.00 0.00 175.30 174.85 1v27 s ARG 61 N 1.99 0.67 0.51 3.54 3.52 -1.26 0.72 118.95 128.65 1v27 s ARG 61 Ca 0.01 -0.81 0.07 0.00 -0.13 0.00 0.00 55.73 54.86 1v27 s ARG 61 Cb -0.12 -0.56 0.05 0.00 -1.56 0.00 0.00 34.95 32.75 1v27 s ARG 61 CO -0.05 0.12 0.71 0.95 -0.81 0.00 0.00 175.30 176.22 1v27 s THR 62 N -1.24 2.60 0.38 4.11 -4.23 -1.22 -5.01 115.64 111.03 1v27 s THR 62 Ca -0.05 -0.92 -0.26 0.00 -1.18 0.00 0.00 61.69 59.28 1v27 s THR 62 Cb -0.09 -2.69 -0.09 0.00 1.34 0.00 0.00 72.50 70.97 1v27 s THR 62 CO 0.01 0.00 1.21 -1.59 -0.54 0.00 0.00 174.62 173.71 1v27 s LYS 63 N -4.58 4.12 -0.40 3.99 -2.85 -1.26 -4.76 119.74 114.00 1v27 s LYS 63 Ca 0.59 1.96 -0.29 0.00 -1.00 0.00 0.00 55.97 57.23 1v27 s LYS 63 Cb -0.08 -2.79 0.02 0.00 -2.06 0.00 0.00 37.83 32.92 1v27 s LYS 63 CO 0.37 -0.30 1.10 0.99 0.10 0.00 0.00 175.35 177.60 1v27 s THR 64 N -1.32 4.36 0.38 3.79 2.01 -1.26 -4.77 115.64 118.84 1v27 s THR 64 Ca 0.55 1.44 -0.24 0.00 0.31 0.00 0.00 61.69 63.76 1v27 s THR 64 Cb -0.34 -4.51 -0.10 0.00 0.01 0.00 0.00 72.50 67.57 1v27 s THR 64 CO 0.43 -0.75 0.96 -0.69 -0.69 0.00 0.00 174.62 173.89 1v27 s VAL 65 N 4.04 4.19 -0.09 3.82 1.01 -0.68 -4.98 120.40 127.71 1v27 s VAL 65 Ca 0.46 1.60 0.04 0.00 0.00 0.00 0.00 61.98 64.09 1v27 s VAL 65 Cb -0.10 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1v27 s VAL 65 CO 0.24 -0.06 -0.24 -0.54 0.00 0.00 0.00 175.10 174.50 1v27 s LYS 66 N -2.58 2.93 -0.20 2.72 -0.14 -1.26 -2.71 119.74 118.50 1v27 s LYS 66 Ca 0.56 -0.86 -0.05 0.00 -1.36 0.00 0.00 55.97 54.26 1v27 s LYS 66 Cb -0.15 -2.24 0.01 0.00 -1.68 0.00 0.00 37.83 33.76 1v27 s LYS 66 CO 0.20 0.20 0.11 1.63 -0.76 0.00 0.00 175.35 176.73 1v27 n LYS 67 N 3.46 -1.91 -3.18 1.68 5.02 0.85 -4.93 118.16 119.14 1v27 n LYS 67 Ca -0.19 1.77 0.05 0.00 -2.02 0.00 0.00 58.31 57.92 1v27 n LYS 67 Cb 0.53 -3.27 -0.03 0.00 -0.02 0.00 0.00 35.03 32.25 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 -1.44 -0.15 -0.12 -0.18 -1.32 -0.98 -4.89 115.64 106.56 1v27 s THR 68 Ca 0.06 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.83 1v27 s THR 68 Cb -0.01 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.35 1v27 s THR 68 CO 0.46 0.00 1.83 -0.07 -2.21 0.00 0.00 174.62 174.63 1v27 h LEU 69 N 7.64 0.00 -6.97 9.08 3.38 -1.95 -3.38 115.31 123.12 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 -0.08 0.00 -0.74 -1.61 0.09 0.00 0.00 178.44 176.10 1v27 s GLU 70 N -3.48 1.25 0.55 1.13 2.02 -1.26 -3.70 118.70 115.21 1v27 s GLU 70 Ca 0.04 -1.97 -0.17 0.00 0.02 0.00 0.00 54.97 52.88 1v27 s GLU 70 Cb 0.07 -2.28 -0.06 0.00 0.10 0.00 0.00 34.13 31.96 1v27 s GLU 70 CO 0.60 -1.16 1.04 -1.25 0.02 0.00 0.00 175.26 174.51 1v27 s PRO 71 N 0.39 3.55 -0.25 0.39 0.04 -1.25 -4.91 135.00 132.95 1v27 s PRO 71 Ca 0.18 1.24 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 1v27 s PRO 71 Cb -0.24 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1v27 s PRO 71 CO 0.00 -0.63 0.13 0.15 0.04 0.00 0.00 177.00 176.70 1v27 s LYS 72 N -3.76 0.16 -0.23 4.56 1.02 -1.26 -2.41 119.74 117.82 1v27 s LYS 72 Ca 0.65 -0.36 -0.11 0.00 0.02 0.00 0.00 55.97 56.17 1v27 s LYS 72 Cb -0.16 -1.31 -0.18 0.00 -0.52 0.00 0.00 37.83 35.66 1v27 s LYS 72 CO 0.30 -0.91 -0.05 0.91 -0.92 0.00 0.00 175.35 174.68 1v27 n TRP 73 N 5.26 0.50 -4.00 3.18 8.01 0.25 -4.95 117.44 125.70 1v27 n TRP 73 Ca -0.06 0.16 -0.32 0.00 -1.31 0.00 0.00 57.50 55.97 1v27 n TRP 73 Cb 0.44 -1.06 -0.06 0.00 -2.01 0.00 0.00 31.31 28.63 1v27 n TRP 73 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1v27 n ASN 74 N -3.92 -1.77 -4.49 -0.99 3.02 0.52 -4.88 115.26 102.74 1v27 n ASN 74 Ca -0.43 -0.79 -0.26 0.00 -0.03 0.00 0.00 54.58 53.08 1v27 n ASN 74 Cb 0.89 -1.56 0.13 0.00 -0.61 0.00 0.00 39.78 38.63 1v27 n ASN 74 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1v27 s GLN 75 N -6.65 1.33 -0.01 3.52 -1.52 -0.96 -4.85 119.66 110.52 1v27 s GLN 75 Ca 0.62 -0.84 0.05 0.00 -1.95 0.00 0.00 55.36 53.23 1v27 s GLN 75 Cb -0.36 -2.16 -0.01 0.00 -0.22 0.00 0.00 33.01 30.26 1v27 s GLN 75 CO 0.76 -1.78 -0.15 0.99 -0.25 0.00 0.00 175.29 174.86 1v27 s THR 76 N -3.41 1.17 -0.14 -0.19 2.01 -1.26 -2.40 115.64 111.43 1v27 s THR 76 Ca 0.69 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 1v27 s THR 76 Cb -0.05 -0.98 0.06 0.00 0.01 0.00 0.00 72.50 71.55 1v27 s THR 76 CO 0.47 0.32 0.17 -0.36 -0.69 0.00 0.00 174.62 174.53 1v27 s PHE 77 N -0.36 -0.14 0.05 4.92 0.08 0.13 -4.95 117.98 117.72 1v27 s PHE 77 Ca 0.06 0.30 -0.07 0.00 0.12 0.00 0.00 56.93 57.33 1v27 s PHE 77 Cb -0.06 -0.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.96 1v27 s PHE 77 CO -0.01 -0.43 0.32 0.42 -0.10 0.00 0.00 175.22 175.43 1v27 s ILE 78 N 2.27 5.23 -0.18 0.64 1.01 -1.26 0.15 121.20 129.06 1v27 s ILE 78 Ca 0.04 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 1v27 s ILE 78 Cb -0.14 -3.60 0.06 0.00 0.01 0.00 0.00 42.46 38.79 1v27 s ILE 78 CO -0.08 0.28 0.04 -0.31 0.00 0.00 0.00 174.94 174.87 1v27 s TYR 79 N -1.39 0.87 0.10 3.97 2.02 0.19 -4.88 117.35 118.22 1v27 s TYR 79 Ca 0.32 -0.71 -0.10 0.00 -0.37 0.00 0.00 57.07 56.21 1v27 s TYR 79 Cb -0.13 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 1v27 s TYR 79 CO 0.19 -0.57 0.22 -1.54 -1.57 0.00 0.00 175.55 172.28 1v27 s SER 80 N 1.91 0.07 0.36 2.29 1.04 -1.26 0.15 113.70 118.26 1v27 s SER 80 Ca 0.00 -0.62 -0.26 0.00 0.48 0.00 0.00 55.95 55.55 1v27 s SER 80 Cb -0.16 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 1v27 s SER 80 CO -0.08 -0.75 1.06 -2.16 0.98 0.00 0.00 173.24 172.29 1v27 s PRO 81 N -3.86 4.33 -0.07 4.02 0.04 -1.26 -5.05 135.00 133.14 1v27 s PRO 81 Ca 0.05 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.72 1v27 s PRO 81 Cb 0.04 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.84 1v27 s PRO 81 CO -0.11 -0.02 -0.11 0.08 0.04 0.00 0.00 177.00 176.89 1v27 s VAL 82 N -1.49 1.08 0.42 -0.36 1.01 0.10 -4.99 120.40 116.18 1v27 s VAL 82 Ca 0.53 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1v27 s VAL 82 Cb -0.25 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1v27 s VAL 82 CO 0.32 0.35 0.43 -1.00 0.00 0.00 0.00 175.10 175.20 1v27 s HIS 83 N 0.83 2.70 -0.00 5.22 3.76 -1.26 -4.24 115.29 122.29 1v27 s HIS 83 Ca -0.12 -0.48 0.03 0.00 -0.15 0.00 0.00 55.06 54.34 1v27 s HIS 83 Cb -0.15 -2.22 -0.25 0.00 1.11 0.00 0.00 32.58 31.07 1v27 s HIS 83 CO 0.02 -0.22 0.83 -0.09 -0.85 0.00 0.00 174.74 174.43 1v27 h ARG 84 N 0.92 0.14 -0.00 1.40 9.65 -2.00 -3.26 114.38 121.22 1v27 h ARG 84 Ca -0.41 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.24 1v27 h ARG 84 Cb 1.27 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 1v27 h ARG 84 CO 0.54 0.92 -0.00 2.89 2.80 0.00 0.00 179.97 187.12 1v27 n ARG 85 N -3.32 0.91 -0.02 0.20 1.85 -1.26 -3.13 116.66 111.89 1v27 n ARG 85 Ca -0.15 -0.04 -0.15 0.00 -1.00 0.00 0.00 57.85 56.50 1v27 n ARG 85 Cb 1.03 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.80 1v27 n ARG 85 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1v27 n GLU 86 N -1.01 0.70 -0.53 2.89 -0.58 -1.23 -4.13 120.64 116.75 1v27 n GLU 86 Ca 0.22 0.25 0.41 0.00 -0.42 0.00 0.00 57.16 57.62 1v27 n GLU 86 Cb 0.15 -1.72 0.64 0.00 -0.57 0.00 0.00 31.44 29.94 1v27 n GLU 86 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1v27 n PHE 87 N -3.25 0.15 0.00 -0.32 3.72 -1.18 0.20 117.46 116.78 1v27 n PHE 87 Ca -0.27 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1v27 n PHE 87 Cb 1.05 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1v27 n PHE 87 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1v27 n ARG 88 N -3.76 0.00 0.32 -1.08 0.63 -1.26 -3.13 116.66 108.38 1v27 n ARG 88 Ca 0.36 0.12 0.20 0.00 -0.92 0.00 0.00 57.85 57.60 1v27 n ARG 88 Cb 1.56 -0.98 1.07 0.00 0.45 0.00 0.00 32.46 34.55 1v27 n ARG 88 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1v27 h GLU 89 N 0.00 0.00 -4.56 -0.14 5.08 -1.35 -3.37 114.58 110.25 1v27 h GLU 89 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 1v27 h GLU 89 Cb 0.00 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 28.98 1v27 h GLU 89 CO 0.00 0.01 -0.52 1.03 -1.00 0.00 0.00 179.01 178.53 1v27 s ARG 90 N -4.19 2.68 0.12 2.33 3.00 0.55 -4.28 118.95 119.16 1v27 s ARG 90 Ca -0.04 -1.26 0.09 0.00 0.00 0.00 0.00 55.73 54.53 1v27 s ARG 90 Cb 0.13 -3.68 -0.04 0.00 0.00 0.00 0.00 34.95 31.36 1v27 s ARG 90 CO 0.47 -0.79 -0.23 1.41 0.00 0.00 0.00 175.30 176.15 1v27 s MET 91 N 1.46 1.26 0.15 3.54 -2.45 -1.22 -4.03 119.30 118.02 1v27 s MET 91 Ca 0.01 -1.28 -0.10 0.00 -1.25 0.00 0.00 55.69 53.08 1v27 s MET 91 Cb -0.21 -1.60 -0.06 0.00 1.25 0.00 0.00 34.83 34.21 1v27 s MET 91 CO 0.04 0.37 0.48 -0.51 1.05 0.00 0.00 175.02 176.44 1v27 s LEU 92 N -2.08 4.27 -0.31 4.11 1.43 -0.78 -1.46 118.68 123.85 1v27 s LEU 92 Ca 0.11 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1v27 s LEU 92 Cb -0.09 -3.33 0.11 0.00 0.03 0.00 0.00 46.19 42.90 1v27 s LEU 92 CO 0.05 0.06 0.14 -0.70 0.23 0.00 0.00 176.35 176.13 1v27 s GLU 93 N -2.35 0.44 -0.01 1.70 2.12 -1.24 -2.34 118.70 117.02 1v27 s GLU 93 Ca 0.40 -0.86 -0.09 0.00 0.36 0.00 0.00 54.97 54.78 1v27 s GLU 93 Cb -0.13 -1.48 -0.05 0.00 0.26 0.00 0.00 34.13 32.74 1v27 s GLU 93 CO 0.20 -1.04 0.30 0.42 -0.54 0.00 0.00 175.26 174.60 1v27 s ILE 94 N 1.75 5.24 -0.05 -3.70 1.09 0.15 -3.40 121.20 122.27 1v27 s ILE 94 Ca 0.11 0.40 -0.06 0.00 -1.10 0.00 0.00 60.65 60.00 1v27 s ILE 94 Cb -0.18 -3.58 0.01 0.00 -1.06 0.00 0.00 42.46 37.66 1v27 s ILE 94 CO -0.27 0.46 0.16 0.42 -0.10 0.00 0.00 174.94 175.62 1v27 s THR 95 N -1.20 0.01 -0.08 2.92 -4.23 -1.19 0.10 115.64 111.97 1v27 s THR 95 Ca 0.25 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1v27 s THR 95 Cb -0.14 -0.27 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 1v27 s THR 95 CO 0.13 -0.06 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.86 1v27 s LEU 96 N -0.15 3.16 0.16 4.79 2.96 -0.65 -2.36 118.68 126.58 1v27 s LEU 96 Ca -0.02 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1v27 s LEU 96 Cb -0.02 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1v27 s LEU 96 CO 0.00 0.32 0.20 0.26 -1.32 0.00 0.00 176.35 175.82 1v27 s TRP 97 N -0.58 0.63 -0.21 5.38 0.52 -1.15 -1.28 118.94 122.24 1v27 s TRP 97 Ca 0.09 -0.98 0.01 0.00 0.02 0.00 0.00 56.10 55.23 1v27 s TRP 97 Cb -0.12 -0.24 0.05 0.00 -1.15 0.00 0.00 33.47 32.01 1v27 s TRP 97 CO 0.02 -0.65 -0.07 0.34 0.02 0.00 0.00 176.95 176.61 1v27 s ASP 98 N -3.02 3.56 -0.51 2.95 2.15 -1.26 -2.16 116.67 118.38 1v27 s ASP 98 Ca 0.22 -1.01 -0.26 0.00 0.43 0.00 0.00 52.55 51.93 1v27 s ASP 98 Cb 0.05 -1.16 -0.08 0.00 -0.30 0.00 0.00 42.92 41.43 1v27 s ASP 98 CO 0.02 -0.20 2.43 1.67 -0.17 0.00 0.00 175.17 178.92 1v27 n GLN 99 N 4.70 1.01 -1.83 4.34 0.00 -0.59 -4.20 117.38 120.81 1v27 n GLN 99 Ca -0.13 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.85 1v27 n GLN 99 Cb 0.45 -3.38 -0.00 0.00 0.00 0.00 0.00 30.24 27.31 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 15.75 0.05 -0.48 1.69 0.00 -1.25 -4.56 120.51 131.71 1v27 n ALA 100 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1v27 n ALA 100 Cb 0.53 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1v27 n ALA 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1v27 n ARG 101 N -0.45 0.00 0.00 0.00 3.00 -1.26 -4.27 116.66 113.68 1v27 n ARG 101 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1v27 n ARG 101 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.51 1v27 n ARG 101 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1v27 n VAL 102 N -0.12 0.00 -2.86 5.15 3.14 -1.26 -4.91 118.33 117.46 1v27 n VAL 102 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 1v27 n VAL 102 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1v27 n VAL 102 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1v27 n ARG 103 N -2.08 4.50 0.00 1.45 1.74 -1.26 -4.34 116.66 116.66 1v27 n ARG 103 Ca 0.00 -4.69 0.00 0.00 -0.77 0.00 0.00 57.85 52.39 1v27 n ARG 103 Cb 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 1v27 n ARG 103 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1v27 n GLU 104 N 0.31 0.00 -2.23 5.56 1.02 -1.26 -5.08 120.64 118.96 1v27 n GLU 104 Ca 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.49 1v27 n GLU 104 Cb 0.32 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.72 1v27 n GLU 104 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v27 n GLU 105 N 0.00 -2.68 -3.92 3.49 1.02 -1.26 -5.05 120.64 112.25 1v27 n GLU 105 Ca 0.00 2.23 -0.27 0.00 -0.02 0.00 0.00 57.16 59.10 1v27 n GLU 105 Cb 0.00 -3.68 -0.17 0.00 -0.02 0.00 0.00 31.44 27.57 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 -0.89 1.62 -0.25 3.49 2.02 -1.26 -5.04 118.70 118.39 1v27 s GLU 106 Ca -0.11 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.44 1v27 s GLU 106 Cb 0.01 -1.70 -0.05 0.00 0.10 0.00 0.00 34.13 32.50 1v27 s GLU 106 CO 0.51 -0.28 0.24 -1.54 0.02 0.00 0.00 175.26 174.21 1v27 s SER 107 N 1.67 6.16 0.00 -0.19 1.04 -1.26 -3.74 113.70 117.38 1v27 s SER 107 Ca 0.05 0.17 0.26 0.00 0.48 0.00 0.00 55.95 56.91 1v27 s SER 107 Cb -0.13 -2.15 1.13 0.00 0.10 0.00 0.00 66.02 64.97 1v27 s SER 107 CO -0.09 -0.03 1.84 -1.84 0.98 0.00 0.00 173.24 174.10 1v27 n GLU 108 N 4.73 0.02 -3.14 4.02 0.28 -1.26 -4.95 120.64 120.35 1v27 n GLU 108 Ca -0.12 0.05 -0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1v27 n GLU 108 Cb 0.52 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.89 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 -1.49 -0.36 -0.34 -1.84 7.35 -1.26 -3.96 117.46 115.55 1v27 n PHE 109 Ca 0.07 0.16 0.03 0.00 -0.76 0.00 0.00 57.45 56.95 1v27 n PHE 109 Cb 0.30 -1.27 0.20 0.00 0.35 0.00 0.00 39.48 39.06 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 3.68 0.99 0.00 -2.13 3.38 -1.51 -3.43 115.31 116.28 1v27 h LEU 110 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1v27 h LEU 110 Cb 0.84 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1v27 h LEU 110 CO 0.01 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1v27 n GLY 111 N -1.38 -2.17 3.01 0.83 0.00 -1.07 -4.48 105.19 99.92 1v27 n GLY 111 Ca 0.15 -1.20 -0.21 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 -1.93 1.05 -0.29 1.61 -1.05 -1.21 -1.64 118.70 115.23 1v27 s GLU 112 Ca 0.00 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.53 1v27 s GLU 112 Cb 0.00 -0.97 0.08 0.00 -0.44 0.00 0.00 34.13 32.80 1v27 s GLU 112 CO 0.00 0.11 -0.04 0.42 0.95 0.00 0.00 175.26 176.70 1v27 s ILE 113 N 0.23 2.18 -0.14 1.83 1.01 0.28 -3.64 121.20 122.95 1v27 s ILE 113 Ca -0.04 -1.92 -0.11 0.00 0.00 0.00 0.00 60.65 58.58 1v27 s ILE 113 Cb -0.09 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1v27 s ILE 113 CO 0.01 -0.28 0.22 -0.76 0.00 0.00 0.00 174.94 174.12 1v27 s LEU 114 N 1.03 4.30 -0.06 2.97 2.01 -1.26 -0.67 118.68 127.00 1v27 s LEU 114 Ca -0.00 0.47 -0.01 0.00 0.01 0.00 0.00 54.13 54.59 1v27 s LEU 114 Cb -0.20 -2.23 0.03 0.00 0.01 0.00 0.00 46.19 43.80 1v27 s LEU 114 CO -0.07 0.23 0.02 -0.63 1.01 0.00 0.00 176.35 176.91 1v27 s ILE 115 N -0.15 0.23 -0.23 -0.59 1.01 -0.99 -4.99 121.20 115.49 1v27 s ILE 115 Ca 0.14 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 1v27 s ILE 115 Cb -0.13 -0.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 1v27 s ILE 115 CO 0.03 0.23 0.73 -1.61 0.00 0.00 0.00 174.94 174.32 1v27 s GLU 116 N 1.96 4.18 0.19 2.79 2.02 -1.26 -1.87 118.70 126.71 1v27 s GLU 116 Ca 0.04 0.77 -0.20 0.00 0.02 0.00 0.00 54.97 55.60 1v27 s GLU 116 Cb -0.12 -3.62 0.14 0.00 0.10 0.00 0.00 34.13 30.63 1v27 s GLU 116 CO -0.04 -0.41 1.59 -0.07 0.02 0.00 0.00 175.26 176.35 1v27 h LEU 117 N 8.80 -1.15 -1.82 1.80 3.38 -1.73 1.57 115.31 126.17 1v27 h LEU 117 Ca -0.27 0.23 0.35 0.00 0.09 0.00 0.00 57.88 58.28 1v27 h LEU 117 Cb 1.12 0.58 -0.05 0.00 0.09 0.00 0.00 40.66 42.40 1v27 h LEU 117 CO 0.82 -0.30 0.97 1.05 0.09 0.00 0.00 178.44 181.07 1v27 h GLU 118 N -0.14 0.00 0.00 1.13 4.11 -1.82 1.31 114.58 119.17 1v27 h GLU 118 Ca 0.25 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.66 1v27 h GLU 118 Cb 0.55 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1v27 h GLU 118 CO -0.71 0.00 -0.50 0.25 0.07 0.00 0.00 179.01 178.12 1v27 n THR 119 N -3.88 1.89 -3.12 -1.06 -2.24 0.47 -4.99 114.28 101.36 1v27 n THR 119 Ca 0.26 -2.83 -0.43 0.00 -2.27 0.00 0.00 64.05 58.78 1v27 n THR 119 Cb 1.35 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.78 3.35 -0.56 6.98 0.00 0.45 -4.68 121.76 124.53 1v27 s ALA 120 Ca 0.36 -1.53 -0.26 0.00 0.00 0.00 0.00 51.96 50.53 1v27 s ALA 120 Cb 0.36 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1v27 s ALA 120 CO -0.07 -1.96 2.19 -0.48 0.00 0.00 0.00 175.76 175.43 1v27 s LEU 121 N 2.79 3.34 -0.24 0.00 0.05 -1.26 -4.92 118.68 118.43 1v27 s LEU 121 Ca 0.18 0.71 -0.11 0.00 0.05 0.00 0.00 54.13 54.97 1v27 s LEU 121 Cb -0.17 -2.51 -0.05 0.00 -2.05 0.00 0.00 46.19 41.41 1v27 s LEU 121 CO 0.15 -2.72 0.17 -0.76 -0.55 0.00 0.00 176.35 172.64 1v27 s LEU 122 N 11.05 4.12 0.00 1.48 1.43 -1.26 -4.61 118.68 130.89 1v27 s LEU 122 Ca 0.85 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1v27 s LEU 122 Cb -0.15 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1v27 s LEU 122 CO 0.23 0.05 0.00 -0.67 0.23 0.00 0.00 176.35 176.19 1v27 n ASP 123 N 4.31 0.00 -2.96 2.29 -0.08 -1.16 -4.91 116.55 114.04 1v27 n ASP 123 Ca -0.15 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.01 1v27 n ASP 123 Cb 0.52 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.96 1v27 n ASP 123 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1v27 n ASP 124 N 0.00 -1.17 -4.43 1.67 2.03 -1.11 -4.85 116.55 108.70 1v27 n ASP 124 Ca 0.00 -0.02 -0.36 0.00 0.52 0.00 0.00 54.79 54.93 1v27 n ASP 124 Cb 0.00 -1.10 -0.13 0.00 -0.72 0.00 0.00 41.12 39.17 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 -5.32 3.61 -0.10 -0.67 2.02 -1.26 -5.00 118.70 111.97 1v27 s GLU 125 Ca 0.23 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 1v27 s GLU 125 Cb -0.14 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 1v27 s GLU 125 CO 0.29 -0.13 1.24 -1.25 0.02 0.00 0.00 175.26 175.43 1v27 s PRO 126 N 1.42 4.29 -0.02 0.39 0.04 -1.26 -4.52 135.00 135.35 1v27 s PRO 126 Ca 0.05 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.85 1v27 s PRO 126 Cb -0.15 -3.65 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 1v27 s PRO 126 CO 0.02 -0.57 -0.22 -1.01 0.04 0.00 0.00 177.00 175.26 1v27 s HIS 127 N 2.79 2.01 -0.21 0.56 3.76 -1.25 -5.02 115.29 117.93 1v27 s HIS 127 Ca 0.56 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.85 1v27 s HIS 127 Cb -0.24 -1.29 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 1v27 s HIS 127 CO 0.19 -0.04 0.71 -1.58 -0.85 0.00 0.00 174.74 173.16 1v27 s TRP 128 N -0.49 3.36 -0.26 1.40 0.52 -1.26 -3.33 118.94 118.88 1v27 s TRP 128 Ca 0.08 1.02 -0.03 0.00 0.02 0.00 0.00 56.10 57.19 1v27 s TRP 128 Cb -0.09 -2.89 0.02 0.00 -1.15 0.00 0.00 33.47 29.36 1v27 s TRP 128 CO -0.01 -0.24 -0.02 0.71 0.02 0.00 0.00 176.95 177.41 1v27 s TYR 129 N 2.19 3.08 0.72 -1.98 2.02 0.50 -4.92 117.35 118.96 1v27 s TYR 129 Ca 0.31 -1.37 -0.15 0.00 -0.37 0.00 0.00 57.07 55.50 1v27 s TYR 129 Cb -0.16 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1v27 s TYR 129 CO 0.10 -0.68 1.19 0.15 -1.57 0.00 0.00 175.55 174.74 1v27 s LYS 130 N 1.38 2.24 0.30 -0.62 1.02 -1.26 -0.47 119.74 122.33 1v27 s LYS 130 Ca 0.01 1.68 -0.02 0.00 0.02 0.00 0.00 55.97 57.67 1v27 s LYS 130 Cb -0.17 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1v27 s LYS 130 CO -0.03 -1.74 0.52 -0.51 -0.92 0.00 0.00 175.35 172.68 1v27 s LEU 131 N -5.13 4.06 -0.19 3.17 2.01 0.13 -4.83 118.68 117.90 1v27 s LEU 131 Ca 0.73 0.55 -0.00 0.00 0.01 0.00 0.00 54.13 55.41 1v27 s LEU 131 Cb -0.27 -3.38 0.05 0.00 0.01 0.00 0.00 46.19 42.60 1v27 s LEU 131 CO 0.45 -0.22 -0.05 0.00 1.01 0.00 0.00 176.35 177.54 1v27 s GLN 132 N -3.86 1.46 -0.68 1.70 -2.07 -1.24 -4.36 119.66 110.62 1v27 s GLN 132 Ca 0.41 -0.67 -0.09 0.00 -1.82 0.00 0.00 55.36 53.18 1v27 s GLN 132 Cb -0.10 -2.23 0.18 0.00 -1.09 0.00 0.00 33.01 29.77 1v27 s GLN 132 CO 0.33 -0.50 0.56 0.95 -1.32 0.00 0.00 175.29 175.31 1v27 s THR 133 N 1.57 4.68 -0.34 3.63 -4.23 -1.26 -3.35 115.64 116.33 1v27 s THR 133 Ca -0.02 -2.47 -0.06 0.00 -1.18 0.00 0.00 61.69 57.97 1v27 s THR 133 Cb -0.17 -3.97 0.23 0.00 1.34 0.00 0.00 72.50 69.93 1v27 s THR 133 CO -0.07 -0.92 1.14 1.57 -0.54 0.00 0.00 174.62 175.79 1v27 n HIS 134 N 4.04 -0.69 -1.69 3.99 -0.00 -1.26 -4.93 115.22 114.68 1v27 n HIS 134 Ca 0.06 -0.68 -0.31 0.00 -0.00 0.00 0.00 57.72 56.80 1v27 n HIS 134 Cb 0.42 1.09 0.04 0.00 -0.00 0.00 0.00 29.99 31.55 1v27 n HIS 134 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1v27 s ASP 135 N 0.63 5.49 0.14 0.26 -4.77 -1.26 -5.00 116.67 112.16 1v27 s ASP 135 Ca 0.24 1.46 0.00 0.00 -3.30 0.00 0.00 52.55 50.95 1v27 s ASP 135 Cb 0.15 -2.36 0.00 0.00 -1.09 0.00 0.00 42.92 39.63 1v27 s ASP 135 CO -0.10 -1.35 0.00 -0.24 0.70 0.00 0.00 175.17 174.18 1v27 n SER 136 N -3.05 0.34 -3.62 2.11 2.88 -1.26 -5.16 113.62 105.86 1v27 n SER 136 Ca 0.07 0.23 -0.02 0.00 -1.33 0.00 0.00 58.87 57.82 1v27 n SER 136 Cb 0.54 0.03 -0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1v27 n SER 136 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v27 s GLY 137 N -4.64 -0.16 0.88 0.46 0.00 -1.26 -5.17 107.32 97.44 1v27 s GLY 137 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 44.72 44.67 1v27 s GLY 137 CO 0.00 0.83 1.13 2.56 0.00 0.00 0.00 173.10 177.62 1v27 s PRO 138 N -2.80 1.39 -0.37 2.90 0.04 -1.26 -5.07 135.00 129.83 1v27 s PRO 138 Ca 0.16 0.38 0.03 0.00 0.04 0.00 0.00 61.00 61.61 1v27 s PRO 138 Cb -0.01 -1.86 0.18 0.00 0.04 0.00 0.00 34.50 32.86 1v27 s PRO 138 CO 0.02 -2.05 0.74 0.45 0.04 0.00 0.00 177.00 176.21 1v27 s SER 139 N -4.00 -1.22 0.38 6.66 0.15 -1.26 -5.02 113.70 109.39 1v27 s SER 139 Ca 0.63 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1v27 s SER 139 Cb -0.15 1.58 0.00 0.00 -1.71 0.00 0.00 66.02 65.75 1v27 s SER 139 CO 0.53 -0.15 0.00 -0.24 1.20 0.00 0.00 173.24 174.59 1v27 n SER 140 N 4.37 -2.91 0.00 5.45 2.88 -1.26 -5.15 113.62 117.00 1v27 n SER 140 Ca 0.09 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1v27 n SER 140 Cb 0.58 2.80 0.00 0.00 -0.75 0.00 0.00 64.21 66.84 1v27 n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42