#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h95 h LYS 2 N 0.00 0.00 0.11 2.12 3.64 -2.04 -3.44 116.57 116.96 1h95 h LYS 2 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1h95 h LYS 2 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1h95 h LYS 2 CO 0.00 0.60 -0.05 0.87 -2.27 0.00 0.00 179.45 178.60 1h95 h LYS 3 N -1.00 -0.14 -4.60 1.90 1.57 -2.02 -3.41 116.57 108.88 1h95 h LYS 3 Ca -0.02 0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 58.06 1h95 h LYS 3 Cb 0.63 0.03 -0.20 0.00 0.08 0.00 0.00 32.23 32.77 1h95 h LYS 3 CO -0.01 -0.09 -0.13 0.08 -0.57 0.00 0.00 179.45 178.73 1h95 s VAL 4 N -2.40 5.05 -0.17 0.50 1.01 -1.26 -4.00 120.40 119.13 1h95 s VAL 4 Ca -0.02 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1h95 s VAL 4 Cb 0.00 -4.24 -0.16 0.00 0.00 0.00 0.00 36.38 31.99 1h95 s VAL 4 CO 0.06 -0.74 0.25 0.40 0.00 0.00 0.00 175.10 175.08 1h95 h ILE 5 N 5.82 0.85 -2.71 2.22 5.03 -1.64 -3.45 117.51 123.64 1h95 h ILE 5 Ca -0.28 -1.86 0.04 0.00 -0.12 0.00 0.00 64.86 62.63 1h95 h ILE 5 Cb 1.10 1.84 -0.13 0.00 -3.03 0.00 0.00 36.82 36.60 1h95 h ILE 5 CO 0.94 0.29 0.33 0.00 -0.68 0.00 0.00 178.15 179.03 1h95 s ALA 6 N -2.42 -1.68 0.09 1.87 0.00 -0.97 -4.90 121.76 113.75 1h95 s ALA 6 Ca -0.20 0.66 0.08 0.00 0.00 0.00 0.00 51.96 52.50 1h95 s ALA 6 Cb 0.02 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1h95 s ALA 6 CO 0.48 -0.75 -0.16 0.95 0.00 0.00 0.00 175.76 176.27 1h95 s THR 7 N -3.50 2.94 -0.37 0.00 -4.23 -1.26 0.39 115.64 109.61 1h95 s THR 7 Ca 0.03 -1.35 -0.17 0.00 -1.18 0.00 0.00 61.69 59.02 1h95 s THR 7 Cb -0.01 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.53 1h95 s THR 7 CO -0.11 0.18 0.44 0.29 -0.54 0.00 0.00 174.62 174.88 1h95 n LYS 8 N 1.02 -2.30 -4.52 3.99 4.76 -1.20 -4.95 118.16 114.96 1h95 n LYS 8 Ca -0.15 1.97 -0.22 0.00 -2.87 0.00 0.00 58.31 57.03 1h95 n LYS 8 Cb 0.52 -4.31 -0.14 0.00 -1.84 0.00 0.00 35.03 29.27 1h95 n LYS 8 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1h95 s VAL 9 N -1.99 1.25 0.06 -0.18 1.01 0.11 -4.96 120.40 115.70 1h95 s VAL 9 Ca 0.21 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1h95 s VAL 9 Cb -0.04 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1h95 s VAL 9 CO 0.72 0.15 0.03 -0.76 0.00 0.00 0.00 175.10 175.24 1h95 s LEU 10 N -0.91 3.61 0.17 3.92 2.01 -1.26 -1.69 118.68 124.54 1h95 s LEU 10 Ca 0.04 -0.06 -0.22 0.00 0.01 0.00 0.00 54.13 53.89 1h95 s LEU 10 Cb -0.07 -2.26 0.08 0.00 0.01 0.00 0.00 46.19 43.95 1h95 s LEU 10 CO 0.01 0.20 1.06 -0.83 1.01 0.00 0.00 176.35 177.81 1h95 s GLY 11 N -2.13 0.12 -0.08 -3.19 0.00 -1.15 -4.42 107.32 96.47 1h95 s GLY 11 Ca 0.25 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.65 1h95 s GLY 11 CO 0.17 3.02 -0.16 -1.59 0.00 0.00 0.00 173.10 174.54 1h95 s THR 12 N -2.07 2.86 -0.15 0.90 2.01 -0.48 -2.52 115.64 116.20 1h95 s THR 12 Ca 0.24 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 1h95 s THR 12 Cb -0.03 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1h95 s THR 12 CO 0.05 0.56 0.83 -0.69 -0.69 0.00 0.00 174.62 174.68 1h95 s VAL 13 N -0.21 4.90 -0.19 3.82 1.01 -1.05 -1.03 120.40 127.65 1h95 s VAL 13 Ca 0.00 1.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.47 1h95 s VAL 13 Cb -0.13 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 1h95 s VAL 13 CO 0.03 0.06 -0.28 0.29 0.00 0.00 0.00 175.10 175.20 1h95 n LYS 14 N 4.98 0.53 -3.43 2.72 5.02 -1.26 -4.45 118.16 122.26 1h95 n LYS 14 Ca 0.04 0.30 -0.22 0.00 -2.02 0.00 0.00 58.31 56.42 1h95 n LYS 14 Cb 0.49 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 33.88 1h95 n LYS 14 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1h95 s TRP 15 N -2.67 -0.06 -0.18 2.13 -0.00 -1.26 -5.03 118.94 111.86 1h95 s TRP 15 Ca -0.28 -0.70 -0.12 0.00 -0.00 0.00 0.00 56.10 55.00 1h95 s TRP 15 Cb 0.06 -0.62 -0.05 0.00 -0.00 0.00 0.00 33.47 32.86 1h95 s TRP 15 CO 0.41 -0.90 0.21 0.12 -0.00 0.00 0.00 176.95 176.79 1h95 s PHE 16 N 1.90 3.43 -0.46 5.86 5.36 -1.26 -4.06 117.98 128.75 1h95 s PHE 16 Ca 0.12 0.45 -0.15 0.00 -0.96 0.00 0.00 56.93 56.39 1h95 s PHE 16 Cb -0.16 -2.26 0.07 0.00 -0.34 0.00 0.00 43.02 40.33 1h95 s PHE 16 CO -0.22 0.25 0.38 1.21 -1.46 0.00 0.00 175.22 175.37 1h95 s ASN 17 N 0.46 6.13 0.29 6.13 2.47 -0.25 -4.92 114.94 125.25 1h95 s ASN 17 Ca 0.12 -1.27 0.15 0.00 0.42 0.00 0.00 52.86 52.28 1h95 s ASN 17 Cb -0.12 -2.18 0.25 0.00 -1.45 0.00 0.00 41.25 37.75 1h95 s ASN 17 CO 0.01 -0.62 1.53 0.58 -3.72 0.00 0.00 177.10 174.88 1h95 h VAL 18 N 5.75 0.98 -0.26 -5.21 2.07 -1.95 0.13 116.25 117.76 1h95 h VAL 18 Ca -0.28 -2.12 -0.04 0.00 0.82 0.00 0.00 66.70 65.08 1h95 h VAL 18 Cb 1.11 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1h95 h VAL 18 CO 0.86 0.51 0.01 0.03 0.02 0.00 0.00 177.57 178.99 1h95 h ARG 19 N 0.00 0.45 0.07 1.57 3.08 -1.94 -2.90 114.38 114.71 1h95 h ARG 19 Ca -0.01 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 1h95 h ARG 19 Cb 1.26 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.28 1h95 h ARG 19 CO 0.07 0.61 -0.55 -0.97 -1.07 0.00 0.00 179.97 178.06 1h95 h ASN 20 N 0.23 0.36 -0.00 7.04 -0.73 -2.01 -3.49 115.58 116.99 1h95 h ASN 20 Ca 0.07 -0.90 0.00 0.00 1.87 0.00 0.00 56.30 57.34 1h95 h ASN 20 Cb 0.40 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1h95 h ASN 20 CO 0.01 1.23 0.00 0.61 -0.37 0.00 0.00 177.43 178.91 1h95 n GLY 21 N 1.45 0.54 3.39 1.57 0.00 0.33 -4.97 105.19 107.49 1h95 n GLY 21 Ca -0.12 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1h95 n GLY 21 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1h95 s TYR 22 N -1.08 -0.42 -3.17 1.61 5.04 -0.38 -1.43 117.35 117.51 1h95 s TYR 22 Ca 0.00 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1h95 s TYR 22 Cb 0.00 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1h95 s TYR 22 CO 0.00 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 174.04 1h95 n GLY 23 N 0.71 -0.60 3.17 8.97 0.00 -0.55 -1.09 105.19 115.81 1h95 n GLY 23 Ca -0.19 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1h95 n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h95 s PHE 24 N -3.88 0.96 0.19 1.61 -0.71 -1.26 -0.64 117.98 114.25 1h95 s PHE 24 Ca 0.00 -1.28 0.07 0.00 -1.04 0.00 0.00 56.93 54.68 1h95 s PHE 24 Cb 0.00 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.27 1h95 s PHE 24 CO 0.00 -0.57 0.04 0.42 -1.34 0.00 0.00 175.22 173.78 1h95 s ILE 25 N -4.09 3.91 -0.53 -4.49 -1.09 0.47 -4.60 121.20 110.78 1h95 s ILE 25 Ca 0.29 -1.41 -0.20 0.00 -2.23 0.00 0.00 60.65 57.10 1h95 s ILE 25 Cb 0.07 -3.00 0.06 0.00 -1.58 0.00 0.00 42.46 38.01 1h95 s ILE 25 CO 0.05 -0.16 0.72 0.21 -1.23 0.00 0.00 174.94 174.53 1h95 s ASN 26 N -3.14 6.24 -0.18 3.58 3.84 -0.19 -2.30 114.94 122.79 1h95 s ASN 26 Ca 0.29 -0.83 -0.29 0.00 0.21 0.00 0.00 52.86 52.24 1h95 s ASN 26 Cb -0.09 -2.33 -0.04 0.00 -0.55 0.00 0.00 41.25 38.24 1h95 s ASN 26 CO 0.20 -1.01 1.79 -0.60 -2.79 0.00 0.00 177.10 174.70 1h95 s ARG 27 N 2.99 3.72 0.22 0.43 3.52 -0.98 -1.38 118.95 127.47 1h95 s ARG 27 Ca 0.18 1.89 -0.06 0.00 -0.13 0.00 0.00 55.73 57.61 1h95 s ARG 27 Cb -0.18 -4.13 0.19 0.00 -1.56 0.00 0.00 34.95 29.28 1h95 s ARG 27 CO 0.13 -1.40 1.73 -2.95 -0.81 0.00 0.00 175.30 171.99 1h95 h ASN 28 N 11.58 0.98 -0.76 -2.12 7.08 -1.89 -2.07 115.58 128.39 1h95 h ASN 28 Ca -0.38 -0.22 0.14 0.00 -3.08 0.00 0.00 56.30 52.76 1h95 h ASN 28 Cb 1.18 -0.26 -0.14 0.00 -2.08 0.00 0.00 38.32 37.03 1h95 h ASN 28 CO 0.98 0.97 -0.29 -0.78 -2.08 0.00 0.00 177.43 176.23 1h95 h ASP 29 N 0.97 -1.05 -0.14 6.14 3.58 -1.91 -2.87 116.42 121.13 1h95 h ASP 29 Ca 0.20 0.25 -0.19 0.00 0.42 0.00 0.00 57.03 57.70 1h95 h ASP 29 Cb 0.41 0.58 -0.35 0.00 1.72 0.00 0.00 39.33 41.69 1h95 h ASP 29 CO 0.01 -0.29 -0.94 1.07 -2.88 0.00 0.00 179.24 176.21 1h95 n THR 30 N -5.48 0.41 -3.39 2.25 5.66 -1.26 -5.02 114.28 107.46 1h95 n THR 30 Ca 0.08 -1.53 -0.19 0.00 -3.05 0.00 0.00 64.05 59.36 1h95 n THR 30 Cb 0.39 1.05 0.06 0.00 -1.55 0.00 0.00 70.33 70.28 1h95 n THR 30 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1h95 n LYS 31 N -0.04 -2.56 -3.95 1.09 4.01 -1.06 -4.98 118.16 110.67 1h95 n LYS 31 Ca 0.01 0.76 -0.35 0.00 -0.51 0.00 0.00 58.31 58.23 1h95 n LYS 31 Cb 0.97 -5.42 -0.09 0.00 -0.51 0.00 0.00 35.03 29.99 1h95 n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1h95 s GLU 32 N -4.92 3.88 -0.51 1.97 0.41 -0.80 -4.94 118.70 113.78 1h95 s GLU 32 Ca 0.40 -0.29 -0.22 0.00 -0.41 0.00 0.00 54.97 54.45 1h95 s GLU 32 Cb -0.08 -3.23 0.05 0.00 -1.78 0.00 0.00 34.13 29.09 1h95 s GLU 32 CO 0.77 0.38 0.77 -0.51 -0.49 0.00 0.00 175.26 176.18 1h95 s ASP 33 N 0.09 6.30 -0.38 -0.19 1.01 -1.26 -2.31 116.67 119.92 1h95 s ASP 33 Ca 0.06 -0.56 -0.10 0.00 0.71 0.00 0.00 52.55 52.67 1h95 s ASP 33 Cb -0.12 -2.36 0.04 0.00 1.01 0.00 0.00 42.92 41.49 1h95 s ASP 33 CO 0.00 -1.03 0.20 -0.69 0.21 0.00 0.00 175.17 173.87 1h95 s VAL 34 N 3.26 4.41 0.07 -1.27 1.01 -0.97 -3.93 120.40 122.97 1h95 s VAL 34 Ca 0.23 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1h95 s VAL 34 Cb -0.15 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1h95 s VAL 34 CO 0.17 -0.29 0.91 -0.36 0.00 0.00 0.00 175.10 175.53 1h95 s PHE 35 N 1.51 3.76 -0.04 5.22 0.40 0.08 -0.40 117.98 128.51 1h95 s PHE 35 Ca 0.02 1.69 0.03 0.00 -0.60 0.00 0.00 56.93 58.06 1h95 s PHE 35 Cb -0.20 -3.00 0.01 0.00 0.51 0.00 0.00 43.02 40.33 1h95 s PHE 35 CO 0.05 0.18 -0.12 0.54 0.70 0.00 0.00 175.22 176.58 1h95 s VAL 36 N 0.19 1.04 0.06 -0.44 0.11 0.18 -2.49 120.40 119.06 1h95 s VAL 36 Ca 0.46 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 59.07 1h95 s VAL 36 Cb -0.22 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1h95 s VAL 36 CO 0.28 0.32 -0.00 -2.28 -3.33 0.00 0.00 175.10 170.08 1h95 s HIS 37 N 0.36 3.01 0.33 1.54 2.46 -1.26 -1.48 115.29 120.25 1h95 s HIS 37 Ca -0.08 0.00 0.32 0.00 0.47 0.00 0.00 55.06 55.77 1h95 s HIS 37 Cb -0.12 -1.58 1.74 0.00 -0.13 0.00 0.00 32.58 32.49 1h95 s HIS 37 CO 0.02 0.47 1.97 -0.56 -2.47 0.00 0.00 174.74 174.17 1h95 h GLN 38 N 3.73 0.00 0.00 2.88 3.07 -1.62 -0.15 115.11 123.02 1h95 h GLN 38 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1h95 h GLN 38 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 1h95 h GLN 38 CO 0.59 0.00 -0.10 -2.37 0.09 0.00 0.00 178.83 177.04 1h95 n THR 39 N -2.69 0.24 0.53 1.86 5.66 -1.26 -3.22 114.28 115.40 1h95 n THR 39 Ca -0.02 -0.12 0.13 0.00 -3.05 0.00 0.00 64.05 60.99 1h95 n THR 39 Cb 0.13 -0.42 0.38 0.00 -1.55 0.00 0.00 70.33 68.87 1h95 n THR 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1h95 h ALA 40 N 2.79 1.00 -2.33 1.79 0.00 -1.34 -3.44 119.26 117.74 1h95 h ALA 40 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1h95 h ALA 40 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1h95 h ALA 40 CO 0.00 0.00 0.47 0.42 0.00 0.00 0.00 179.25 180.14 1h95 s ILE 41 N -3.15 4.84 0.90 0.00 1.01 -1.20 -0.80 121.20 122.79 1h95 s ILE 41 Ca 0.09 1.81 -0.12 0.00 0.00 0.00 0.00 60.65 62.43 1h95 s ILE 41 Cb 0.11 -4.21 0.13 0.00 0.01 0.00 0.00 42.46 38.49 1h95 s ILE 41 CO 0.59 0.01 1.12 -1.59 0.00 0.00 0.00 174.94 175.07 1h95 s LYS 42 N 2.10 1.27 -0.24 2.79 -2.85 -0.92 -4.89 119.74 117.01 1h95 s LYS 42 Ca 0.43 0.43 -0.18 0.00 -1.00 0.00 0.00 55.97 55.64 1h95 s LYS 42 Cb -0.17 -1.84 -0.15 0.00 -2.06 0.00 0.00 37.83 33.60 1h95 s LYS 42 CO 0.14 -2.14 -0.06 1.63 0.10 0.00 0.00 175.35 175.03 1h95 n LYS 43 N -3.75 0.57 -2.53 1.78 5.02 -1.26 -4.96 118.16 113.03 1h95 n LYS 43 Ca 0.06 0.43 -0.35 0.00 -2.02 0.00 0.00 58.31 56.43 1h95 n LYS 43 Cb 0.58 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.93 1h95 n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1h95 s ASN 44 N -7.06 6.51 0.06 4.39 0.01 -1.26 -5.07 114.94 112.51 1h95 s ASN 44 Ca -0.33 1.99 -0.17 0.00 -0.71 0.00 0.00 52.86 53.64 1h95 s ASN 44 Cb 0.10 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.22 1h95 s ASN 44 CO 0.53 -0.67 0.40 0.54 -1.51 0.00 0.00 177.10 176.39 1h95 s ASN 45 N -1.79 -0.26 0.11 -1.22 2.20 -1.26 -5.04 114.94 107.68 1h95 s ASN 45 Ca 0.63 -0.07 -0.03 0.00 -0.94 0.00 0.00 52.86 52.45 1h95 s ASN 45 Cb -0.19 0.42 -0.17 0.00 -2.00 0.00 0.00 41.25 39.31 1h95 s ASN 45 CO 0.23 -0.69 1.24 1.55 -2.94 0.00 0.00 177.10 176.50 1h95 h PRO 46 N 2.93 0.30 -2.64 3.55 0.13 -1.97 -3.48 132.00 130.82 1h95 h PRO 46 Ca -0.32 -0.41 0.05 0.00 -0.87 0.00 0.00 66.00 64.45 1h95 h PRO 46 Cb 1.21 0.14 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 1h95 h PRO 46 CO 0.44 1.13 0.35 -0.98 -0.23 0.00 0.00 178.00 178.72 1h95 s ARG 47 N -2.96 1.07 0.30 0.86 1.70 -1.26 -5.09 118.95 113.57 1h95 s ARG 47 Ca -0.04 -0.41 -0.15 0.00 -0.47 0.00 0.00 55.73 54.66 1h95 s ARG 47 Cb 0.08 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.96 1h95 s ARG 47 CO 0.87 -0.47 0.63 -1.59 -1.08 0.00 0.00 175.30 173.65 1h95 s LYS 48 N -3.44 1.83 0.00 3.89 -2.85 -1.26 -3.92 119.74 113.99 1h95 s LYS 48 Ca 0.03 -1.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 1h95 s LYS 48 Cb -0.01 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.31 1h95 s LYS 48 CO -0.10 -0.81 0.00 0.66 0.10 0.00 0.00 175.35 175.20 1h95 n TYR 49 N -0.46 0.00 0.03 1.78 4.01 -1.26 -5.02 117.16 116.23 1h95 n TYR 49 Ca -0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.62 1h95 n TYR 49 Cb 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.57 1h95 n TYR 49 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1h95 h LEU 50 N 0.00 -0.15 0.00 7.72 7.12 -2.04 -3.48 115.31 124.49 1h95 h LEU 50 Ca 0.00 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1h95 h LEU 50 Cb 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1h95 h LEU 50 CO 0.00 0.45 0.00 -1.14 -0.13 0.00 0.00 178.44 177.62 1h95 n ARG 51 N -4.87 0.00 -2.48 1.25 0.63 -1.26 -5.17 116.66 104.77 1h95 n ARG 51 Ca -0.06 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.63 1h95 n ARG 51 Cb 0.23 0.00 0.09 0.00 0.45 0.00 0.00 32.46 33.23 1h95 n ARG 51 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1h95 s SER 52 N 1.00 4.57 -0.19 6.15 1.04 -1.26 -5.05 113.70 119.95 1h95 s SER 52 Ca 0.00 -0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 1h95 s SER 52 Cb 0.00 -0.44 -0.08 0.00 0.10 0.00 0.00 66.02 65.59 1h95 s SER 52 CO 0.00 -1.70 -0.25 0.52 0.98 0.00 0.00 173.24 172.79 1h95 n VAL 53 N -2.79 1.06 0.00 5.02 0.31 -1.26 -4.87 118.33 115.81 1h95 n VAL 53 Ca 0.12 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1h95 n VAL 53 Cb 0.60 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1h95 n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1h95 n GLY 54 N 1.80 -0.54 3.69 2.92 0.00 -1.26 -5.08 105.19 106.73 1h95 n GLY 54 Ca -0.38 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1h95 n GLY 54 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1h95 s ASP 55 N -4.00 7.21 -0.32 1.61 -4.77 -1.26 -3.99 116.67 111.15 1h95 s ASP 55 Ca 0.00 1.66 -0.01 0.00 -3.30 0.00 0.00 52.55 50.90 1h95 s ASP 55 Cb 0.00 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 1h95 s ASP 55 CO 0.00 -0.45 0.14 0.61 0.70 0.00 0.00 175.17 176.17 1h95 n GLY 56 N 3.13 0.45 3.82 2.12 0.00 -1.26 -5.02 105.19 108.44 1h95 n GLY 56 Ca 0.09 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1h95 n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h95 s GLU 57 N -4.82 3.80 0.10 1.61 -1.05 -1.26 -4.84 118.70 112.24 1h95 s GLU 57 Ca 0.07 1.15 -0.09 0.00 -0.15 0.00 0.00 54.97 55.95 1h95 s GLU 57 Cb -0.03 -2.11 -0.06 0.00 -0.44 0.00 0.00 34.13 31.49 1h95 s GLU 57 CO 0.09 -0.41 0.41 0.95 0.95 0.00 0.00 175.26 177.25 1h95 s THR 58 N -2.33 5.09 0.00 1.83 -4.23 -1.26 -2.52 115.64 112.22 1h95 s THR 58 Ca 0.63 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1h95 s THR 58 Cb -0.13 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 70.07 1h95 s THR 58 CO 0.26 0.23 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.87 1h95 s VAL 59 N -1.46 0.09 0.03 2.29 1.01 -1.05 -4.55 120.40 116.76 1h95 s VAL 59 Ca 0.35 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 1h95 s VAL 59 Cb -0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.09 1h95 s VAL 59 CO 0.19 -0.02 0.41 -1.61 0.00 0.00 0.00 175.10 174.07 1h95 s GLU 60 N -0.14 3.87 0.30 2.72 2.02 -1.26 -2.92 118.70 123.28 1h95 s GLU 60 Ca -0.01 0.34 -0.15 0.00 0.02 0.00 0.00 54.97 55.17 1h95 s GLU 60 Cb -0.01 -3.14 0.02 0.00 0.10 0.00 0.00 34.13 31.09 1h95 s GLU 60 CO -0.00 0.65 0.63 -0.59 0.02 0.00 0.00 175.26 175.97 1h95 s PHE 61 N -1.18 0.19 0.20 1.61 -0.71 -0.68 -0.98 117.98 116.42 1h95 s PHE 61 Ca 0.27 -0.64 0.02 0.00 -1.04 0.00 0.00 56.93 55.55 1h95 s PHE 61 Cb -0.16 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.10 1h95 s PHE 61 CO 0.15 -1.22 0.34 -0.51 -1.34 0.00 0.00 175.22 172.64 1h95 s ASP 62 N -3.02 6.34 -0.57 1.98 1.01 -1.03 0.07 116.67 121.46 1h95 s ASP 62 Ca 0.18 0.20 0.01 0.00 0.71 0.00 0.00 52.55 53.65 1h95 s ASP 62 Cb -0.03 -1.92 0.15 0.00 1.01 0.00 0.00 42.92 42.12 1h95 s ASP 62 CO 0.10 -0.02 0.35 -0.69 0.21 0.00 0.00 175.17 175.12 1h95 s VAL 63 N -1.86 3.10 -0.02 -1.27 1.01 0.16 -3.85 120.40 117.66 1h95 s VAL 63 Ca 0.35 -3.20 0.06 0.00 0.00 0.00 0.00 61.98 59.19 1h95 s VAL 63 Cb -0.10 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1h95 s VAL 63 CO 0.29 -0.84 -0.20 0.68 0.00 0.00 0.00 175.10 175.04 1h95 s VAL 64 N -0.24 1.55 0.17 2.92 -7.23 -0.06 -2.02 120.40 115.50 1h95 s VAL 64 Ca 0.17 -0.83 -0.32 0.00 -1.81 0.00 0.00 61.98 59.19 1h95 s VAL 64 Cb -0.23 -1.30 -0.12 0.00 0.56 0.00 0.00 36.38 35.29 1h95 s VAL 64 CO -0.02 0.44 1.75 1.21 -0.31 0.00 0.00 175.10 178.17 1h95 n GLU 65 N 2.67 2.68 0.00 4.82 2.13 -1.26 0.45 120.64 132.13 1h95 n GLU 65 Ca -0.15 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1h95 n GLU 65 Cb 0.53 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.42 1h95 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1h95 n GLY 66 N 3.99 1.29 0.00 8.31 0.00 -0.96 -4.77 105.19 113.06 1h95 n GLY 66 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1h95 n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1h95 n GLU 67 N 0.00 0.00 0.00 1.61 0.28 -1.26 -4.81 120.64 116.46 1h95 n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1h95 n GLU 67 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1h95 n GLU 67 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1h95 n LYS 68 N -0.06 0.96 -3.78 3.44 2.85 -1.26 -4.90 118.16 115.41 1h95 n LYS 68 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1h95 n LYS 68 Cb 0.00 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1h95 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1h95 n GLY 69 N 0.46 -1.11 3.85 2.58 0.00 -1.26 -5.14 105.19 104.56 1h95 n GLY 69 Ca 0.00 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1h95 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h95 s ALA 70 N -1.00 3.03 0.11 4.61 0.00 -1.25 -2.27 121.76 124.99 1h95 s ALA 70 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1h95 s ALA 70 Cb 0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 1h95 s ALA 70 CO 0.00 -0.45 0.02 -0.85 0.00 0.00 0.00 175.76 174.48 1h95 n GLU 71 N -2.00 1.31 -3.83 0.00 0.28 0.17 -0.74 120.64 115.83 1h95 n GLU 71 Ca 0.07 -0.89 -0.12 0.00 -0.16 0.00 0.00 57.16 56.06 1h95 n GLU 71 Cb 0.54 0.35 -0.13 0.00 1.43 0.00 0.00 31.44 33.63 1h95 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1h95 s ALA 72 N -2.24 -0.30 0.03 -1.84 0.00 -1.04 -0.88 121.76 115.49 1h95 s ALA 72 Ca 0.02 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1h95 s ALA 72 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1h95 s ALA 72 CO 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 175.76 175.67 1h95 s ALA 73 N 0.01 0.30 -1.30 0.00 0.00 -1.25 -4.82 121.76 114.70 1h95 s ALA 73 Ca -0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1h95 s ALA 73 Cb -0.01 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 1h95 s ALA 73 CO 0.00 -0.09 0.67 -1.71 0.00 0.00 0.00 175.76 174.63 1h95 n ASN 74 N 1.64 -1.43 -4.68 0.00 2.85 -1.18 -2.46 115.26 109.99 1h95 n ASN 74 Ca -0.23 -0.86 -0.43 0.00 -0.11 0.00 0.00 54.58 52.96 1h95 n ASN 74 Cb 0.55 -3.89 -0.02 0.00 1.24 0.00 0.00 39.78 37.66 1h95 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1h95 s VAL 75 N -3.70 4.57 0.00 3.44 1.01 0.02 -4.64 120.40 121.10 1h95 s VAL 75 Ca 0.04 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1h95 s VAL 75 Cb -0.01 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1h95 s VAL 75 CO 0.83 -0.04 0.00 0.41 0.00 0.00 0.00 175.10 176.30 1h95 n THR 76 N 4.76 0.00 0.00 3.92 -1.04 -0.16 -2.17 114.28 119.59 1h95 n THR 76 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1h95 n THR 76 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1h95 n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h95 n GLY 77 N 5.00 2.23 3.81 3.41 0.00 -1.26 -4.65 105.19 113.73 1h95 n GLY 77 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1h95 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h95 s PRO 78 N 0.00 2.57 0.00 1.61 0.04 -1.26 -4.81 135.00 133.15 1h95 s PRO 78 Ca 0.00 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1h95 s PRO 78 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1h95 s PRO 78 CO 0.00 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.11