#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h05 s ILE 4 N 0.00 5.03 -0.03 1.96 1.01 -1.26 -0.30 121.20 127.61 1h05 s ILE 4 Ca 0.00 1.38 0.05 0.00 0.00 0.00 0.00 60.65 62.08 1h05 s ILE 4 Cb 0.00 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1h05 s ILE 4 CO 0.00 0.28 -0.18 -0.69 0.00 0.00 0.00 174.94 174.35 1h05 s VAL 5 N 0.65 1.46 -0.20 2.92 1.01 -0.36 -4.33 120.40 121.56 1h05 s VAL 5 Ca 0.36 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1h05 s VAL 5 Cb -0.18 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1h05 s VAL 5 CO 0.17 0.42 0.31 0.20 0.00 0.00 0.00 175.10 176.20 1h05 s ASN 6 N -0.19 6.36 -0.24 3.32 0.01 -0.76 -1.11 114.94 122.33 1h05 s ASN 6 Ca 0.01 0.41 -0.02 0.00 -0.71 0.00 0.00 52.86 52.56 1h05 s ASN 6 Cb -0.10 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.40 1h05 s ASN 6 CO 0.01 0.01 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.85 1h05 s VAL 7 N 1.02 2.90 -0.13 1.60 1.01 0.47 -0.71 120.40 126.55 1h05 s VAL 7 Ca 0.15 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1h05 s VAL 7 Cb -0.14 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1h05 s VAL 7 CO 0.06 0.25 -0.22 -0.63 0.00 0.00 0.00 175.10 174.56 1h05 s ILE 8 N 1.35 2.18 -0.09 2.22 1.01 -0.01 -0.90 121.20 126.95 1h05 s ILE 8 Ca 0.01 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1h05 s ILE 8 Cb -0.16 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1h05 s ILE 8 CO -0.05 0.55 -0.10 0.20 0.00 0.00 0.00 174.94 175.54 1h05 s ASN 9 N 0.61 4.33 0.00 3.58 0.01 0.18 -1.22 114.94 122.44 1h05 s ASN 9 Ca -0.12 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1h05 s ASN 9 Cb -0.16 -1.30 0.00 0.00 0.41 0.00 0.00 41.25 40.20 1h05 s ASN 9 CO 0.03 0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.50 1h05 n GLY 10 N 2.80 1.44 3.73 0.66 0.00 0.71 -1.39 105.19 113.14 1h05 n GLY 10 Ca -0.18 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 1h05 n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h05 n PRO 11 N 0.00 2.26 -0.55 1.61 -0.02 -1.14 -2.58 135.00 134.58 1h05 n PRO 11 Ca 0.00 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1h05 n PRO 11 Cb 0.00 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 1h05 n PRO 11 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h05 n ASN 12 N 0.32 0.00 0.06 2.55 3.02 -1.26 -4.51 115.26 115.45 1h05 n ASN 12 Ca 0.04 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.72 1h05 n ASN 12 Cb 0.39 -0.26 0.37 0.00 -0.61 0.00 0.00 39.78 39.67 1h05 n ASN 12 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1h05 n LEU 13 N 0.00 0.60 0.17 3.41 4.77 -1.06 -1.55 117.00 123.34 1h05 n LEU 13 Ca 0.00 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1h05 n LEU 13 Cb 0.00 -0.31 0.56 0.00 -2.33 0.00 0.00 43.42 41.34 1h05 n LEU 13 CO 0.00 -0.08 0.90 1.23 -1.33 0.00 0.00 177.39 178.10 1h05 h GLY 14 N 4.66 0.00 -0.86 -0.72 0.00 -1.89 -2.70 103.07 101.56 1h05 h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h05 h GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1h05 n ARG 15 N -2.47 1.83 -1.56 4.80 5.12 -0.59 -4.65 116.66 119.14 1h05 n ARG 15 Ca 0.01 -1.21 -0.47 0.00 -1.93 0.00 0.00 57.85 54.25 1h05 n ARG 15 Cb 0.23 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 1h05 n ARG 15 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1h05 n LEU 16 N 0.47 1.30 0.00 0.55 4.77 -1.02 -0.91 117.00 122.16 1h05 n LEU 16 Ca 0.18 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 1h05 n LEU 16 Cb 0.41 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1h05 n LEU 16 CO 0.16 -1.57 0.00 0.61 -1.33 0.00 0.00 177.39 175.26 1h05 n GLY 17 N 1.61 2.77 0.00 -0.72 0.00 -1.17 -3.86 105.19 103.82 1h05 n GLY 17 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1h05 n GLY 17 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1h05 n ARG 18 N -0.02 1.01 -0.35 1.61 1.85 -0.08 -4.67 116.66 116.01 1h05 n ARG 18 Ca 0.00 0.00 0.34 0.00 -1.00 0.00 0.00 57.85 57.19 1h05 n ARG 18 Cb 0.00 -0.98 0.61 0.00 -1.05 0.00 0.00 32.46 31.04 1h05 n ARG 18 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1h05 n ARG 19 N -1.55 -0.05 -0.10 2.89 1.74 -0.66 -5.16 116.66 113.77 1h05 n ARG 19 Ca 0.00 1.35 0.06 0.00 -0.77 0.00 0.00 57.85 58.49 1h05 n ARG 19 Cb 0.10 -2.47 0.12 0.00 -1.02 0.00 0.00 32.46 29.19 1h05 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h05 n GLY 26 N -1.31 1.31 3.72 -0.13 0.00 -1.26 -5.16 105.19 102.36 1h05 n GLY 26 Ca 0.38 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1h05 n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h05 s THR 27 N -1.04 3.88 0.64 2.61 2.01 -1.26 -4.70 115.64 117.78 1h05 s THR 27 Ca 0.21 1.42 -0.06 0.00 0.31 0.00 0.00 61.69 63.58 1h05 s THR 27 Cb 0.12 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1h05 s THR 27 CO 0.17 0.15 0.94 0.42 -0.69 0.00 0.00 174.62 175.61 1h05 s THR 28 N 0.67 2.95 0.20 -0.82 -4.23 -1.26 -3.04 115.64 110.10 1h05 s THR 28 Ca 0.57 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1h05 s THR 28 Cb -0.30 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.45 1h05 s THR 28 CO 0.31 -0.21 1.82 -0.74 -0.54 0.00 0.00 174.62 175.26 1h05 h HIS 29 N -0.34 0.96 -0.71 3.99 2.76 -1.82 -0.65 115.15 119.33 1h05 h HIS 29 Ca -0.45 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 57.75 1h05 h HIS 29 Cb 1.29 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.89 1h05 h HIS 29 CO 0.40 0.67 0.42 -0.44 -1.30 0.00 0.00 177.93 177.69 1h05 h ASP 30 N 0.97 0.66 -0.42 3.26 3.32 -1.94 -1.07 116.42 121.21 1h05 h ASP 30 Ca 0.25 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1h05 h ASP 30 Cb 0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1h05 h ASP 30 CO -0.04 0.44 0.12 -0.33 -1.72 0.00 0.00 179.24 177.71 1h05 h GLU 31 N 0.80 0.74 -0.39 3.56 4.39 -1.81 -1.96 114.58 119.90 1h05 h GLU 31 Ca 0.30 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.88 1h05 h GLU 31 Cb 0.12 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1h05 h GLU 31 CO -0.15 0.67 0.23 1.25 -1.16 0.00 0.00 179.01 179.85 1h05 h LEU 32 N 0.72 0.37 -0.04 1.33 5.85 -0.53 0.40 115.31 123.41 1h05 h LEU 32 Ca 0.16 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1h05 h LEU 32 Cb 0.27 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1h05 h LEU 32 CO -0.00 0.27 -0.15 0.58 -0.34 0.00 0.00 178.44 178.80 1h05 h VAL 33 N 0.46 0.63 -0.79 1.05 2.07 -0.98 -0.62 116.25 118.08 1h05 h VAL 33 Ca 0.15 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.75 1h05 h VAL 33 Cb 0.01 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1h05 h VAL 33 CO -0.07 0.00 0.46 0.00 0.02 0.00 0.00 177.57 177.98 1h05 h ALA 34 N 0.75 1.10 -0.48 1.67 0.00 -0.67 0.37 119.26 122.01 1h05 h ALA 34 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1h05 h ALA 34 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1h05 h ALA 34 CO -0.17 0.13 0.20 -0.07 0.00 0.00 0.00 179.25 179.34 1h05 h LEU 35 N 0.81 0.65 -0.41 0.00 3.38 -0.60 -2.09 115.31 117.05 1h05 h LEU 35 Ca 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1h05 h LEU 35 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1h05 h LEU 35 CO -0.21 0.63 0.14 0.40 0.09 0.00 0.00 178.44 179.49 1h05 h ILE 36 N 0.63 1.21 -0.08 1.22 2.04 -0.84 -1.91 117.51 119.77 1h05 h ILE 36 Ca 0.16 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 1h05 h ILE 36 Cb 0.18 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1h05 h ILE 36 CO -0.01 0.24 -0.34 -0.33 0.00 0.00 0.00 178.15 177.70 1h05 h GLU 37 N 0.51 0.16 -0.25 2.37 5.08 -0.83 -0.26 114.58 121.36 1h05 h GLU 37 Ca 0.13 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1h05 h GLU 37 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1h05 h GLU 37 CO -0.01 0.49 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.21 1h05 h ARG 38 N 0.14 0.57 -0.22 2.33 2.43 -1.28 -1.77 114.38 116.58 1h05 h ARG 38 Ca 0.02 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 1h05 h ARG 38 Cb 0.68 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1h05 h ARG 38 CO 0.05 0.86 0.11 1.49 -1.51 0.00 0.00 179.97 180.97 1h05 h GLU 39 N 0.29 0.32 -0.96 0.20 4.57 -1.12 -1.67 114.58 116.20 1h05 h GLU 39 Ca 0.05 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1h05 h GLU 39 Cb 0.73 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.21 1h05 h GLU 39 CO 0.05 0.33 0.63 0.00 -1.18 0.00 0.00 179.01 178.84 1h05 h ALA 40 N 0.97 1.30 -0.62 2.92 0.00 -0.95 -1.72 119.26 121.16 1h05 h ALA 40 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1h05 h ALA 40 Cb 0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1h05 h ALA 40 CO -0.01 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.91 1h05 h ALA 41 N 1.39 0.87 -0.15 0.00 0.00 -0.92 0.13 119.26 120.57 1h05 h ALA 41 Ca 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h05 h ALA 41 Cb -0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1h05 h ALA 41 CO -0.08 0.67 0.09 0.93 0.00 0.00 0.00 179.25 180.86 1h05 h GLU 42 N 0.99 0.20 -0.00 0.00 5.08 -0.83 -1.70 114.58 118.31 1h05 h GLU 42 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1h05 h GLU 42 Cb 0.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1h05 h GLU 42 CO 0.03 0.15 -0.19 1.28 -1.00 0.00 0.00 179.01 179.27 1h05 n LEU 43 N -4.50 0.51 0.00 1.33 4.77 -0.67 -4.93 117.00 113.51 1h05 n LEU 43 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1h05 n LEU 43 Cb 0.09 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1h05 n LEU 43 CO 0.35 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1h05 n GLY 44 N 1.36 0.47 3.94 -0.72 0.00 -0.64 -4.94 105.19 104.66 1h05 n GLY 44 Ca 0.11 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1h05 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h05 s LEU 45 N 0.00 3.20 -0.22 0.99 1.43 0.36 -4.81 118.68 119.63 1h05 s LEU 45 Ca 0.00 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1h05 s LEU 45 Cb 0.00 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.44 1h05 s LEU 45 CO 0.00 -0.93 -0.08 -0.75 0.23 0.00 0.00 176.35 174.83 1h05 s LYS 46 N -4.31 1.82 -0.08 1.70 2.20 0.58 -3.65 119.74 117.99 1h05 s LYS 46 Ca 0.49 -0.96 -0.15 0.00 -0.36 0.00 0.00 55.97 54.99 1h05 s LYS 46 Cb -0.04 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 1h05 s LYS 46 CO 0.29 -0.53 0.37 0.00 -0.36 0.00 0.00 175.35 175.12 1h05 s ALA 47 N 1.37 3.63 -0.31 3.13 0.00 -1.26 -1.22 121.76 127.11 1h05 s ALA 47 Ca -0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 1h05 s ALA 47 Cb -0.18 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.55 1h05 s ALA 47 CO -0.07 0.27 0.04 0.08 0.00 0.00 0.00 175.76 176.08 1h05 s VAL 48 N -0.23 3.41 -0.18 0.00 1.01 -0.27 -4.91 120.40 119.22 1h05 s VAL 48 Ca 0.22 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1h05 s VAL 48 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1h05 s VAL 48 CO 0.09 -0.06 0.03 -0.69 0.00 0.00 0.00 175.10 174.48 1h05 s VAL 49 N 1.36 4.45 0.03 2.92 1.01 -1.26 -0.40 120.40 128.50 1h05 s VAL 49 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1h05 s VAL 49 Cb -0.19 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1h05 s VAL 49 CO 0.00 0.46 -0.06 -0.13 0.00 0.00 0.00 175.10 175.37 1h05 s ARG 50 N 0.49 0.44 -0.01 2.72 1.81 -0.08 -4.97 118.95 119.35 1h05 s ARG 50 Ca 0.01 -0.56 0.01 0.00 -1.72 0.00 0.00 55.73 53.47 1h05 s ARG 50 Cb -0.13 -0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.13 1h05 s ARG 50 CO 0.01 0.05 -0.03 -1.14 -0.68 0.00 0.00 175.30 173.51 1h05 s GLN 51 N -1.14 0.33 -0.06 3.54 -0.44 -1.26 -0.65 119.66 119.98 1h05 s GLN 51 Ca -0.08 -0.10 -0.17 0.00 -2.50 0.00 0.00 55.36 52.51 1h05 s GLN 51 Cb -0.08 -0.34 0.03 0.00 -1.64 0.00 0.00 33.01 30.98 1h05 s GLN 51 CO 0.00 0.04 0.38 0.45 0.50 0.00 0.00 175.29 176.67 1h05 s SER 52 N 0.11 -0.31 0.00 6.67 0.15 -0.49 -4.98 113.70 114.85 1h05 s SER 52 Ca -0.01 0.37 0.28 0.00 0.70 0.00 0.00 55.95 57.29 1h05 s SER 52 Cb -0.04 0.49 1.02 0.00 -1.71 0.00 0.00 66.02 65.77 1h05 s SER 52 CO -0.00 -0.38 1.73 0.47 1.20 0.00 0.00 173.24 176.25 1h05 n ASP 53 N 1.67 0.78 -4.56 5.45 8.00 -1.26 -2.87 116.55 123.76 1h05 n ASP 53 Ca -0.19 -0.79 -0.39 0.00 0.71 0.00 0.00 54.79 54.13 1h05 n ASP 53 Cb 0.56 0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.58 1h05 n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1h05 s SER 54 N -2.44 6.04 0.19 -2.24 0.15 -1.26 -4.72 113.70 109.42 1h05 s SER 54 Ca 0.28 -0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.63 1h05 s SER 54 Cb 0.20 -2.13 0.19 0.00 -1.71 0.00 0.00 66.02 62.57 1h05 s SER 54 CO 0.48 -0.14 1.77 -0.08 1.20 0.00 0.00 173.24 176.47 1h05 h GLU 55 N 8.42 0.44 -0.77 5.44 4.81 -2.00 -1.53 114.58 129.40 1h05 h GLU 55 Ca -0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1h05 h GLU 55 Cb 1.18 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1h05 h GLU 55 CO 0.59 0.29 0.46 0.00 -0.73 0.00 0.00 179.01 179.62 1h05 h ALA 56 N 1.33 1.36 -0.43 2.92 0.00 -1.99 0.70 119.26 123.15 1h05 h ALA 56 Ca 0.25 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1h05 h ALA 56 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1h05 h ALA 56 CO -0.22 0.55 -0.28 0.37 0.00 0.00 0.00 179.25 179.66 1h05 h GLN 57 N 1.06 0.94 -0.54 0.00 5.75 -1.74 -1.62 115.11 118.96 1h05 h GLN 57 Ca 0.28 -0.43 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1h05 h GLN 57 Cb -0.03 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1h05 h GLN 57 CO -0.05 1.10 0.34 -0.07 -2.65 0.00 0.00 178.83 177.49 1h05 h LEU 58 N 0.79 0.64 -0.72 -2.39 3.38 -0.47 -1.74 115.31 114.80 1h05 h LEU 58 Ca 0.09 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1h05 h LEU 58 Cb 0.86 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 1h05 h LEU 58 CO 0.08 0.49 0.33 -0.07 0.09 0.00 0.00 178.44 179.36 1h05 h LEU 59 N 0.73 0.37 -0.72 1.67 3.38 -0.70 -1.18 115.31 118.87 1h05 h LEU 59 Ca 0.20 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1h05 h LEU 59 Cb -0.04 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1h05 h LEU 59 CO -0.04 0.19 0.20 -0.78 0.09 0.00 0.00 178.44 178.10 1h05 h ASP 60 N 0.52 1.06 -0.38 -0.43 1.82 -0.70 0.14 116.42 118.45 1h05 h ASP 60 Ca 0.38 -0.22 -0.10 0.00 -0.39 0.00 0.00 57.03 56.70 1h05 h ASP 60 Cb 0.48 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 1h05 h ASP 60 CO -0.33 1.01 -0.11 -0.50 -1.61 0.00 0.00 179.24 177.70 1h05 h TRP 61 N 1.07 0.91 -0.77 0.28 6.55 -0.91 -0.56 115.95 122.53 1h05 h TRP 61 Ca 0.23 -0.17 -0.05 0.00 0.95 0.00 0.00 58.89 59.85 1h05 h TRP 61 Cb 0.34 -0.23 -0.03 0.00 -0.86 0.00 0.00 29.16 28.37 1h05 h TRP 61 CO 0.03 0.88 0.28 0.82 -1.05 0.00 0.00 178.44 179.40 1h05 h ILE 62 N 0.74 1.26 -0.69 1.49 1.08 -0.86 -1.98 117.51 118.55 1h05 h ILE 62 Ca 0.12 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1h05 h ILE 62 Cb 0.60 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1h05 h ILE 62 CO 0.04 0.35 0.43 0.45 -0.69 0.00 0.00 178.15 178.73 1h05 h HIS 63 N 1.13 0.90 -0.76 1.37 3.86 -0.29 -0.79 115.15 120.57 1h05 h HIS 63 Ca 0.25 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 1h05 h HIS 63 Cb 0.26 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1h05 h HIS 63 CO 0.02 0.59 0.30 1.96 0.86 0.00 0.00 177.93 181.66 1h05 h GLN 64 N 0.94 1.13 -0.45 2.45 4.20 -0.84 -0.19 115.11 122.35 1h05 h GLN 64 Ca 0.25 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 1h05 h GLN 64 Cb -0.06 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1h05 h GLN 64 CO -0.05 0.92 -0.06 0.00 -0.67 0.00 0.00 178.83 178.97 1h05 h ALA 65 N 1.22 1.04 0.03 3.87 0.00 -0.61 -1.59 119.26 123.22 1h05 h ALA 65 Ca 0.25 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1h05 h ALA 65 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1h05 h ALA 65 CO -0.02 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 1h05 h ALA 66 N 1.21 -0.06 -0.40 0.00 0.00 -0.78 0.06 119.26 119.29 1h05 h ALA 66 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1h05 h ALA 66 Cb 0.52 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1h05 h ALA 66 CO 0.03 -0.54 0.05 -0.44 0.00 0.00 0.00 179.25 178.35 1h05 h ASP 67 N -0.08 0.57 0.57 0.00 3.32 -0.77 -2.74 116.42 117.29 1h05 h ASP 67 Ca 0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1h05 h ASP 67 Cb 0.08 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1h05 h ASP 67 CO -0.02 0.61 -0.59 0.00 -1.72 0.00 0.00 179.24 177.52 1h05 n ALA 68 N -2.47 3.41 -3.57 3.45 0.00 -0.62 -4.95 120.51 115.75 1h05 n ALA 68 Ca 0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 1h05 n ALA 68 Cb 0.23 -1.11 0.08 0.00 0.00 0.00 0.00 19.45 18.65 1h05 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h05 n ALA 69 N -1.61 -1.59 -2.77 0.00 0.00 -0.08 -4.99 120.51 109.48 1h05 n ALA 69 Ca 0.05 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1h05 n ALA 69 Cb 0.37 -4.21 -0.08 0.00 0.00 0.00 0.00 19.45 15.53 1h05 n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1h05 s GLU 70 N -6.00 3.11 0.87 0.00 2.02 -0.69 -4.67 118.70 113.35 1h05 s GLU 70 Ca 0.36 -0.39 -0.11 0.00 0.02 0.00 0.00 54.97 54.86 1h05 s GLU 70 Cb -0.16 -2.90 0.12 0.00 0.10 0.00 0.00 34.13 31.29 1h05 s GLU 70 CO 0.74 0.69 1.15 -2.14 0.02 0.00 0.00 175.26 175.73 1h05 s PRO 71 N -1.32 1.29 -0.03 0.39 0.02 -1.26 -4.63 135.00 129.46 1h05 s PRO 71 Ca 0.18 1.55 0.03 0.00 0.02 0.00 0.00 61.00 62.78 1h05 s PRO 71 Cb -0.12 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1h05 s PRO 71 CO 0.08 -2.43 -0.09 0.08 -0.33 0.00 0.00 177.00 174.31 1h05 s VAL 72 N -2.57 0.80 -0.26 3.83 1.01 -0.51 -1.82 120.40 120.88 1h05 s VAL 72 Ca 0.67 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1h05 s VAL 72 Cb -0.23 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1h05 s VAL 72 CO 0.56 0.25 -0.01 -0.63 0.00 0.00 0.00 175.10 175.27 1h05 s ILE 73 N 0.18 3.37 -0.09 2.22 1.01 0.11 -1.13 121.20 126.86 1h05 s ILE 73 Ca -0.03 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1h05 s ILE 73 Cb -0.08 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.71 1h05 s ILE 73 CO 0.00 0.21 -0.18 -0.22 0.00 0.00 0.00 174.94 174.76 1h05 s LEU 74 N 1.42 1.85 -0.39 2.97 2.96 -0.05 -0.83 118.68 126.61 1h05 s LEU 74 Ca 0.02 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1h05 s LEU 74 Cb -0.16 -1.13 0.11 0.00 0.50 0.00 0.00 46.19 45.51 1h05 s LEU 74 CO -0.02 0.08 0.12 0.21 -1.32 0.00 0.00 176.35 175.42 1h05 s ASN 75 N 0.61 4.78 0.00 3.68 3.84 -0.36 -1.10 114.94 126.40 1h05 s ASN 75 Ca -0.14 -2.30 0.18 0.00 0.21 0.00 0.00 52.86 50.81 1h05 s ASN 75 Cb -0.16 -1.67 0.61 0.00 -0.55 0.00 0.00 41.25 39.48 1h05 s ASN 75 CO 0.04 -0.38 1.46 0.00 -2.79 0.00 0.00 177.10 175.44 1h05 n ALA 76 N 4.10 2.49 -0.65 1.71 0.00 -1.26 -0.21 120.51 126.69 1h05 n ALA 76 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1h05 n ALA 76 Cb 0.40 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1h05 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h05 n GLY 77 N 1.14 1.85 0.33 0.00 0.00 -1.26 -2.31 105.19 104.93 1h05 n GLY 77 Ca 0.15 -0.43 0.21 0.00 0.00 0.00 0.00 46.02 45.95 1h05 n GLY 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1h05 h GLY 78 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -1.69 103.07 101.41 1h05 h GLY 78 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1h05 h GLY 78 CO 0.00 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.92 1h05 h LEU 79 N 0.00 0.00 -0.87 3.11 3.38 -1.84 -2.61 115.31 116.49 1h05 h LEU 79 Ca 0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1h05 h LEU 79 Cb 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.64 1h05 h LEU 79 CO -0.00 0.03 0.31 0.74 0.09 0.00 0.00 178.44 179.60 1h05 h THR 80 N 0.00 0.42 0.00 0.22 2.02 -1.41 -1.25 112.91 112.91 1h05 h THR 80 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1h05 h THR 80 Cb 0.37 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1h05 h THR 80 CO 0.00 0.06 -0.39 0.45 0.37 0.00 0.00 175.52 176.01 1h05 h HIS 81 N 0.31 0.00 0.00 3.16 3.86 -1.66 0.08 115.15 120.90 1h05 h HIS 81 Ca 0.54 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 1h05 h HIS 81 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 1h05 h HIS 81 CO -0.20 0.00 -0.59 0.25 0.86 0.00 0.00 177.93 178.25 1h05 n THR 82 N -2.38 0.00 -3.58 2.45 -2.24 -0.96 -4.79 114.28 102.79 1h05 n THR 82 Ca 0.04 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1h05 n THR 82 Cb 0.46 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 1h05 n THR 82 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h05 s SER 83 N -1.40 5.78 0.18 3.42 0.15 -0.51 -4.90 113.70 116.42 1h05 s SER 83 Ca 0.00 -1.07 -0.05 0.00 0.70 0.00 0.00 55.95 55.52 1h05 s SER 83 Cb 0.00 -2.04 0.09 0.00 -1.71 0.00 0.00 66.02 62.36 1h05 s SER 83 CO 0.00 -0.43 1.52 0.58 1.20 0.00 0.00 173.24 176.12 1h05 h VAL 84 N 5.88 1.29 -0.78 4.45 2.07 -1.96 -2.71 116.25 124.49 1h05 h VAL 84 Ca -0.25 -1.63 0.05 0.00 0.82 0.00 0.00 66.70 65.69 1h05 h VAL 84 Cb 1.10 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.37 1h05 h VAL 84 CO 0.70 0.52 0.51 0.00 0.02 0.00 0.00 177.57 179.32 1h05 h ALA 85 N 0.94 1.57 -0.03 1.67 0.00 -1.99 -0.17 119.26 121.25 1h05 h ALA 85 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1h05 h ALA 85 Cb 0.99 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1h05 h ALA 85 CO 0.09 0.33 -0.01 1.25 0.00 0.00 0.00 179.25 180.92 1h05 h LEU 86 N 0.92 0.06 -0.69 0.00 5.85 -1.93 -2.11 115.31 117.41 1h05 h LEU 86 Ca 0.32 -0.38 0.13 0.00 0.84 0.00 0.00 57.88 58.79 1h05 h LEU 86 Cb 0.12 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.01 1h05 h LEU 86 CO -0.10 0.42 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.04 1h05 h ARG 87 N -0.31 -0.09 -0.68 1.25 2.43 -1.16 -0.76 114.38 115.06 1h05 h ARG 87 Ca 0.01 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1h05 h ARG 87 Cb 0.40 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1h05 h ARG 87 CO 0.00 -0.06 0.33 -0.44 -1.51 0.00 0.00 179.97 178.29 1h05 h ASP 88 N -0.09 0.87 -0.33 -3.80 3.32 -0.87 0.13 116.42 115.66 1h05 h ASP 88 Ca 0.29 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1h05 h ASP 88 Cb 0.55 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1h05 h ASP 88 CO -0.74 0.74 0.05 0.00 -1.72 0.00 0.00 179.24 177.57 1h05 h ALA 89 N 1.40 0.43 -0.23 3.45 0.00 -1.06 -2.84 119.26 120.42 1h05 h ALA 89 Ca 0.24 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1h05 h ALA 89 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1h05 h ALA 89 CO -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.33 1h05 h ALA 91 N 1.65 1.13 0.00 0.00 0.00 -0.50 -1.71 119.26 119.83 1h05 h ALA 91 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h05 h ALA 91 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1h05 h ALA 91 CO 0.01 0.03 0.00 0.93 0.00 0.00 0.00 179.25 180.22 1h05 h GLU 92 N 0.00 0.00 -6.82 0.00 5.08 -1.46 -3.46 114.58 107.92 1h05 h GLU 92 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1h05 h GLU 92 Cb 0.17 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.48 1h05 h GLU 92 CO 0.00 0.00 0.66 -0.51 -1.00 0.00 0.00 179.01 178.16 1h05 s LEU 93 N -5.29 4.42 -0.15 1.33 1.43 -0.65 -4.89 118.68 114.89 1h05 s LEU 93 Ca 0.06 2.63 0.17 0.00 -1.03 0.00 0.00 54.13 55.95 1h05 s LEU 93 Cb 0.09 -3.64 -0.24 0.00 0.03 0.00 0.00 46.19 42.43 1h05 s LEU 93 CO 0.55 -0.55 0.26 -1.54 0.23 0.00 0.00 176.35 175.29 1h05 n SER 94 N 1.39 0.25 -4.81 2.29 3.41 -1.26 -4.93 113.62 109.96 1h05 n SER 94 Ca 0.02 0.12 -0.29 0.00 -0.26 0.00 0.00 58.87 58.46 1h05 n SER 94 Cb 0.42 0.74 0.10 0.00 -0.26 0.00 0.00 64.21 65.20 1h05 n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h05 s ALA 95 N -2.56 2.68 0.48 7.33 0.00 -1.26 -5.01 121.76 123.41 1h05 s ALA 95 Ca -0.08 -0.77 -0.24 0.00 0.00 0.00 0.00 51.96 50.87 1h05 s ALA 95 Cb 0.07 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 1h05 s ALA 95 CO 0.83 -1.72 1.32 -2.14 0.00 0.00 0.00 175.76 174.05 1h05 s PRO 96 N -5.57 3.57 -0.15 0.00 0.02 -1.26 -4.81 135.00 126.80 1h05 s PRO 96 Ca 0.63 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.82 1h05 s PRO 96 Cb -0.10 -2.49 0.02 0.00 0.02 0.00 0.00 34.50 31.96 1h05 s PRO 96 CO 0.49 -0.82 -0.15 -1.17 -0.33 0.00 0.00 177.00 175.02 1h05 s LEU 97 N -3.00 1.73 -0.23 -5.54 2.96 -1.26 -1.42 118.68 111.91 1h05 s LEU 97 Ca 0.64 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1h05 s LEU 97 Cb -0.38 -1.20 0.01 0.00 0.50 0.00 0.00 46.19 45.12 1h05 s LEU 97 CO 0.47 -0.04 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.77 1h05 s ILE 98 N 1.42 3.02 0.00 6.68 -1.09 -0.29 -0.06 121.20 130.89 1h05 s ILE 98 Ca 0.04 -0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 57.35 1h05 s ILE 98 Cb -0.13 -2.46 -0.03 0.00 -1.58 0.00 0.00 42.46 38.26 1h05 s ILE 98 CO -0.10 0.31 0.95 -0.70 -1.23 0.00 0.00 174.94 174.17 1h05 s GLU 99 N 1.39 4.56 -0.01 2.79 2.12 -0.58 -0.87 118.70 128.08 1h05 s GLU 99 Ca 0.03 1.38 0.05 0.00 0.36 0.00 0.00 54.97 56.78 1h05 s GLU 99 Cb -0.15 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 1h05 s GLU 99 CO -0.05 -0.02 -0.16 0.08 -0.54 0.00 0.00 175.26 174.57 1h05 s VAL 100 N 0.92 1.28 -0.05 3.70 1.01 -0.26 -0.76 120.40 126.24 1h05 s VAL 100 Ca 0.50 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1h05 s VAL 100 Cb -0.21 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1h05 s VAL 100 CO 0.27 0.36 -0.15 -1.00 0.00 0.00 0.00 175.10 174.59 1h05 s HIS 101 N -0.36 1.52 0.03 5.22 3.76 -0.42 -4.20 115.29 120.84 1h05 s HIS 101 Ca 0.06 -0.46 -0.20 0.00 -0.15 0.00 0.00 55.06 54.30 1h05 s HIS 101 Cb -0.06 -1.05 -0.16 0.00 1.11 0.00 0.00 32.58 32.41 1h05 s HIS 101 CO -0.01 -0.18 1.28 0.82 -0.85 0.00 0.00 174.74 175.80 1h05 h ILE 102 N 5.45 1.38 -3.40 0.60 2.04 -1.86 -2.63 117.51 119.08 1h05 h ILE 102 Ca -0.32 -1.49 -0.47 0.00 1.00 0.00 0.00 64.86 63.59 1h05 h ILE 102 Cb 1.18 2.06 0.05 0.00 -0.74 0.00 0.00 36.82 39.37 1h05 h ILE 102 CO 0.48 0.43 0.12 -0.94 0.00 0.00 0.00 178.15 178.24 1h05 s SER 103 N -6.25 5.46 -0.69 1.72 1.04 -1.26 -1.79 113.70 111.93 1h05 s SER 103 Ca -0.14 0.52 -0.27 0.00 0.48 0.00 0.00 55.95 56.54 1h05 s SER 103 Cb 0.05 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.71 1h05 s SER 103 CO 0.76 -1.10 1.25 0.21 0.98 0.00 0.00 173.24 175.34 1h05 s ASN 104 N -4.34 6.24 0.02 7.02 3.84 -1.26 -2.07 114.94 124.40 1h05 s ASN 104 Ca 0.54 -0.30 0.13 0.00 0.21 0.00 0.00 52.86 53.44 1h05 s ASN 104 Cb -0.10 -2.56 0.54 0.00 -0.55 0.00 0.00 41.25 38.58 1h05 s ASN 104 CO 0.43 -1.74 1.40 1.33 -2.79 0.00 0.00 177.10 175.74 1h05 n VAL 105 N 6.46 1.17 1.39 -5.21 0.24 -1.26 -1.76 118.33 119.35 1h05 n VAL 105 Ca 0.04 0.30 0.14 0.00 -2.04 0.00 0.00 64.34 62.78 1h05 n VAL 105 Cb 0.49 -1.11 0.51 0.00 -1.47 0.00 0.00 33.84 32.25 1h05 n VAL 105 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1h05 n HIS 106 N -1.56 0.00 -0.57 6.34 8.25 -1.26 -3.95 115.22 122.47 1h05 n HIS 106 Ca 0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1h05 n HIS 106 Cb 0.14 -0.10 0.32 0.00 1.12 0.00 0.00 29.99 31.47 1h05 n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h05 n ALA 107 N -0.56 2.88 -2.98 -1.41 0.00 -0.72 -4.97 120.51 112.74 1h05 n ALA 107 Ca 0.15 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1h05 n ALA 107 Cb 0.32 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1h05 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h05 n ARG 108 N 1.00 3.15 -1.81 0.00 1.74 -1.25 -5.08 116.66 114.41 1h05 n ARG 108 Ca 0.24 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.94 1h05 n ARG 108 Cb 0.81 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.29 1h05 n ARG 108 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1h05 s GLU 109 N 4.55 3.09 0.29 5.56 8.01 -1.26 -4.91 118.70 134.03 1h05 s GLU 109 Ca 0.00 2.18 0.02 0.00 0.01 0.00 0.00 54.97 57.18 1h05 s GLU 109 Cb 0.00 -2.20 0.57 0.00 -4.31 0.00 0.00 34.13 28.19 1h05 s GLU 109 CO 0.00 -1.21 1.85 1.49 0.01 0.00 0.00 175.26 177.39 1h05 h GLU 110 N 1.35 0.95 0.00 1.61 4.57 -1.96 -1.12 114.58 119.98 1h05 h GLU 110 Ca -0.51 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.61 1h05 h GLU 110 Cb 1.30 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1h05 h GLU 110 CO 0.57 0.63 -0.00 0.27 -1.18 0.00 0.00 179.01 179.29 1h05 h PHE 111 N 0.98 0.00 -0.00 0.92 -5.15 -1.96 -0.51 116.94 111.21 1h05 h PHE 111 Ca 0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.26 1h05 h PHE 111 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.65 1h05 h PHE 111 CO -0.00 0.00 -0.07 0.54 -2.00 0.00 0.00 178.31 176.78 1h05 n ARG 112 N -3.13 0.60 -0.04 6.09 1.74 -0.42 -3.78 116.66 117.71 1h05 n ARG 112 Ca -0.03 -0.14 0.11 0.00 -0.77 0.00 0.00 57.85 57.02 1h05 n ARG 112 Cb 0.10 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.52 1h05 n ARG 112 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1h05 n ARG 113 N -1.08 1.48 -5.00 5.56 1.74 -0.20 -4.70 116.66 114.46 1h05 n ARG 113 Ca 0.15 -0.71 -0.32 0.00 -0.77 0.00 0.00 57.85 56.19 1h05 n ARG 113 Cb 0.26 -1.38 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 1h05 n ARG 113 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1h05 s HIS 114 N -1.88 2.62 -0.08 -1.55 3.76 -1.25 -5.07 115.29 111.83 1h05 s HIS 114 Ca 0.33 -1.11 0.03 0.00 -0.15 0.00 0.00 55.06 54.15 1h05 s HIS 114 Cb 0.17 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1h05 s HIS 114 CO 0.26 -0.47 -0.17 0.45 -0.85 0.00 0.00 174.74 173.97 1h05 s SER 115 N 0.50 2.33 0.36 1.40 0.15 -1.26 -4.36 113.70 112.82 1h05 s SER 115 Ca -0.14 -0.41 0.27 0.00 0.70 0.00 0.00 55.95 56.37 1h05 s SER 115 Cb -0.17 -1.07 1.01 0.00 -1.71 0.00 0.00 66.02 64.08 1h05 s SER 115 CO 0.05 0.08 1.79 1.88 1.20 0.00 0.00 173.24 178.25 1h05 h TYR 116 N 6.92 0.00 0.05 3.44 -1.99 -1.28 -3.30 116.97 120.82 1h05 h TYR 116 Ca -0.26 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.14 1h05 h TYR 116 Cb 1.21 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.90 1h05 h TYR 116 CO 0.48 0.00 -1.82 1.28 -0.00 0.00 0.00 178.16 178.10 1h05 n LEU 117 N -2.58 1.61 -0.32 3.88 4.77 -1.26 -4.42 117.00 118.68 1h05 n LEU 117 Ca 0.02 0.34 0.02 0.00 -0.03 0.00 0.00 56.01 56.36 1h05 n LEU 117 Cb 0.31 -0.37 0.16 0.00 -2.33 0.00 0.00 43.42 41.20 1h05 n LEU 117 CO 0.25 0.58 1.19 0.28 -1.33 0.00 0.00 177.39 178.36 1h05 h SER 118 N 0.03 0.84 0.11 -1.43 0.02 -1.92 -1.29 113.55 109.91 1h05 h SER 118 Ca -0.34 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1h05 h SER 118 Cb 2.02 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 64.41 1h05 h SER 118 CO 0.09 0.52 -0.06 -0.65 -1.14 0.00 0.00 176.83 175.58 1h05 h PRO 119 N 0.96 0.00 -0.02 3.45 0.11 -1.79 -2.68 132.00 132.04 1h05 h PRO 119 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1h05 h PRO 119 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1h05 h PRO 119 CO -0.20 0.06 -0.34 0.44 -0.21 0.00 0.00 178.00 177.75 1h05 n ILE 120 N -4.02 0.00 -2.68 4.15 -6.64 -0.55 -5.00 119.36 104.63 1h05 n ILE 120 Ca -0.03 -0.33 -0.30 0.00 -1.77 0.00 0.00 62.75 60.33 1h05 n ILE 120 Cb 0.15 1.32 -0.02 0.00 -1.44 0.00 0.00 39.64 39.64 1h05 n ILE 120 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1h05 s ALA 121 N -2.34 3.30 0.15 -1.28 0.00 -0.81 -4.92 121.76 115.86 1h05 s ALA 121 Ca 0.21 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 1h05 s ALA 121 Cb 0.19 -2.77 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1h05 s ALA 121 CO 0.50 -0.15 1.74 1.15 0.00 0.00 0.00 175.76 178.99 1h05 h THR 122 N 0.80 1.18 -2.85 0.00 2.02 -0.79 -3.48 112.91 109.79 1h05 h THR 122 Ca -0.47 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.26 1h05 h THR 122 Cb 1.19 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1h05 h THR 122 CO 0.63 0.19 0.39 -0.83 0.37 0.00 0.00 175.52 176.28 1h05 s GLY 123 N -2.86 0.33 -0.00 2.16 0.00 -1.18 -5.06 107.32 100.71 1h05 s GLY 123 Ca -0.13 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1h05 s GLY 123 CO 0.75 0.79 -0.01 0.14 0.00 0.00 0.00 173.10 174.77 1h05 s VAL 124 N -2.09 0.06 -0.11 1.40 1.01 -1.26 -1.53 120.40 117.88 1h05 s VAL 124 Ca 0.19 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1h05 s VAL 124 Cb -0.04 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.29 1h05 s VAL 124 CO 0.10 0.01 -0.15 -0.63 0.00 0.00 0.00 175.10 174.43 1h05 s ILE 125 N -0.04 1.48 0.06 2.22 1.01 0.06 -4.97 121.20 121.02 1h05 s ILE 125 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1h05 s ILE 125 Cb -0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1h05 s ILE 125 CO -0.00 0.44 -0.10 0.68 0.00 0.00 0.00 174.94 175.96 1h05 s VAL 126 N 1.05 0.78 0.00 2.92 -7.23 -1.26 -1.30 120.40 115.36 1h05 s VAL 126 Ca -0.05 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1h05 s VAL 126 Cb -0.15 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1h05 s VAL 126 CO -0.02 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1h05 n GLY 127 N 1.15 1.26 1.70 2.32 0.00 -0.88 -4.81 105.19 105.93 1h05 n GLY 127 Ca -0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1h05 n GLY 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h05 n LEU 128 N 0.00 5.09 0.00 0.99 4.77 -1.19 -4.68 117.00 121.98 1h05 n LEU 128 Ca 0.00 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1h05 n LEU 128 Cb 0.00 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 1h05 n LEU 128 CO 0.00 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1h05 n GLY 129 N 0.86 -0.77 0.29 -0.72 0.00 -0.74 -3.18 105.19 100.93 1h05 n GLY 129 Ca 0.26 -1.15 0.17 0.00 0.00 0.00 0.00 46.02 45.30 1h05 n GLY 129 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1h05 h ILE 130 N 0.00 0.31 0.00 -0.61 2.04 -1.95 -1.58 117.51 115.73 1h05 h ILE 130 Ca 0.00 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1h05 h ILE 130 Cb 0.00 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1h05 h ILE 130 CO 0.00 0.05 -0.03 -0.61 0.00 0.00 0.00 178.15 177.56 1h05 h GLN 131 N 0.00 0.00 -0.99 2.37 4.15 -1.96 -1.63 115.11 117.05 1h05 h GLN 131 Ca -0.00 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.60 1h05 h GLN 131 Cb 0.22 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.80 1h05 h GLN 131 CO 0.01 0.03 0.60 0.78 -1.93 0.00 0.00 178.83 178.31 1h05 h GLY 132 N 0.27 1.74 0.97 2.39 0.00 -1.30 0.96 103.07 108.10 1h05 h GLY 132 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1h05 h GLY 132 CO 0.00 -0.04 0.11 -0.97 0.00 0.00 0.00 176.54 175.65 1h05 h TYR 133 N 0.78 0.24 -0.75 5.60 -1.99 -1.50 -1.58 116.97 117.77 1h05 h TYR 133 Ca 0.56 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.26 1h05 h TYR 133 Cb 0.83 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.44 1h05 h TYR 133 CO -0.01 0.20 0.36 -0.07 -0.00 0.00 0.00 178.16 178.63 1h05 h LEU 134 N 0.22 0.99 -0.98 3.88 3.38 -1.18 -1.29 115.31 120.33 1h05 h LEU 134 Ca 0.07 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1h05 h LEU 134 Cb 0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1h05 h LEU 134 CO -0.01 0.86 -0.05 -0.07 0.09 0.00 0.00 178.44 179.25 1h05 h LEU 135 N 1.07 0.65 -0.74 1.67 3.38 -0.79 -1.39 115.31 119.16 1h05 h LEU 135 Ca 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1h05 h LEU 135 Cb 0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1h05 h LEU 135 CO -0.03 0.76 0.39 0.00 0.09 0.00 0.00 178.44 179.64 1h05 h ALA 136 N 1.31 0.95 -0.74 1.53 0.00 -1.00 -1.15 119.26 120.15 1h05 h ALA 136 Ca 0.12 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1h05 h ALA 136 Cb 0.47 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1h05 h ALA 136 CO 0.02 0.48 0.46 -0.07 0.00 0.00 0.00 179.25 180.15 1h05 h LEU 137 N 1.02 0.75 -0.72 0.00 3.38 -0.93 -2.35 115.31 116.47 1h05 h LEU 137 Ca 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1h05 h LEU 137 Cb 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1h05 h LEU 137 CO -0.04 0.51 0.18 -0.09 0.09 0.00 0.00 178.44 179.10 1h05 h ARG 138 N 0.90 1.14 -0.08 1.13 2.43 -0.72 -0.93 114.38 118.24 1h05 h ARG 138 Ca 0.30 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1h05 h ARG 138 Cb 0.05 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 1h05 h ARG 138 CO -0.12 1.00 -0.27 -0.92 -1.51 0.00 0.00 179.97 178.14 1h05 h TYR 139 N 1.08 -0.73 -0.77 2.20 3.20 -0.78 -2.04 116.97 119.12 1h05 h TYR 139 Ca 0.23 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.16 1h05 h TYR 139 Cb 0.36 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1h05 h TYR 139 CO 0.03 -0.36 0.51 -0.07 -1.64 0.00 0.00 178.16 176.63 1h05 h LEU 140 N -0.37 0.82 -0.65 2.82 3.38 -0.96 -2.17 115.31 118.18 1h05 h LEU 140 Ca 0.09 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1h05 h LEU 140 Cb 0.49 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1h05 h LEU 140 CO -0.29 0.57 -0.02 0.00 0.09 0.00 0.00 178.44 178.78 1h05 h ALA 141 N 1.55 0.86 -0.00 1.53 0.00 -1.03 -3.00 119.26 119.17 1h05 h ALA 141 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h05 h ALA 141 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1h05 h ALA 141 CO -0.09 0.66 -0.13 0.39 0.00 0.00 0.00 179.25 180.08 1h05 n GLU 142 N -4.17 0.63 -2.37 0.00 -0.58 -0.78 -4.02 120.64 109.34 1h05 n GLU 142 Ca 0.03 -0.23 -0.31 0.00 -0.42 0.00 0.00 57.16 56.23 1h05 n GLU 142 Cb 0.35 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 1h05 n GLU 142 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1h05 n HIS 143 N -0.99 3.32 -1.00 -0.32 8.25 -0.84 -4.42 115.22 119.22 1h05 n HIS 143 Ca 0.13 -2.95 0.00 0.00 -0.26 0.00 0.00 57.72 54.65 1h05 n HIS 143 Cb 0.29 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.92 1h05 n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1h05 n VAL 144 N -0.46 0.09 0.00 1.59 0.24 -1.25 -4.87 118.33 113.67 1h05 n VAL 144 Ca 0.43 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.64 1h05 n VAL 144 Cb 0.50 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 1h05 n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h05 n GLY 145 N -0.05 -2.20 0.34 7.63 0.00 -1.26 -5.16 105.19 104.48 1h05 n GLY 145 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1h05 n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02