#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u75 n ASP 2 N 0.00 1.18 -0.02 1.61 9.92 -1.26 -4.87 116.55 123.10 1u75 n ASP 2 Ca 0.00 1.14 0.07 0.00 -0.53 0.00 0.00 54.79 55.47 1u75 n ASP 2 Cb 0.00 -1.02 -0.15 0.00 -0.64 0.00 0.00 41.12 39.31 1u75 n ASP 2 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1u75 n VAL 3 N 3.00 0.20 0.01 2.53 0.24 -1.26 -3.62 118.33 119.42 1u75 n VAL 3 Ca 0.24 -0.51 -0.17 0.00 -2.04 0.00 0.00 64.34 61.86 1u75 n VAL 3 Cb 0.08 -0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 1u75 n VAL 3 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1u75 h GLU 4 N 0.00 0.70 0.00 7.34 4.39 -1.90 -1.35 114.58 123.76 1u75 h GLU 4 Ca -0.08 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.00 1u75 h GLU 4 Cb 1.11 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1u75 h GLU 4 CO 0.00 1.23 -0.64 1.63 -1.16 0.00 0.00 179.01 180.07 1u75 n LYS 5 N -3.89 0.28 0.18 2.33 5.02 -1.26 -3.72 118.16 117.09 1u75 n LYS 5 Ca -0.08 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1u75 n LYS 5 Cb 0.78 -1.67 0.10 0.00 -0.02 0.00 0.00 35.03 34.21 1u75 n LYS 5 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1u75 h GLY 6 N 4.53 0.00 1.12 0.72 0.00 -1.59 -3.19 103.07 104.66 1u75 h GLY 6 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1u75 h GLY 6 CO 0.00 0.00 -0.48 1.70 0.00 0.00 0.00 176.54 177.76 1u75 h LYS 7 N 0.00 0.88 -0.45 4.80 1.63 -1.33 -2.89 116.57 119.21 1u75 h LYS 7 Ca -0.00 -0.53 -0.06 0.00 -0.85 0.00 0.00 60.65 59.21 1u75 h LYS 7 Cb 1.19 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.85 1u75 h LYS 7 CO 0.03 1.17 0.02 0.87 -3.45 0.00 0.00 179.45 178.09 1u75 h LYS 8 N 0.67 0.72 -0.29 1.90 1.57 -1.69 -1.80 116.57 117.66 1u75 h LYS 8 Ca 0.03 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1u75 h LYS 8 Cb 1.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1u75 h LYS 8 CO 0.11 0.72 -0.05 0.82 -0.57 0.00 0.00 179.45 180.48 1u75 h ILE 9 N 0.68 1.27 -0.30 1.86 2.04 -1.55 -1.58 117.51 119.93 1u75 h ILE 9 Ca 0.14 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1u75 h ILE 9 Cb 0.39 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1u75 h ILE 9 CO 0.01 0.34 0.07 0.15 0.00 0.00 0.00 178.15 178.72 1u75 h PHE 10 N 0.32 0.51 -0.77 1.37 3.04 -1.40 -0.49 116.94 119.51 1u75 h PHE 10 Ca 0.08 -0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1u75 h PHE 10 Cb 0.52 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 1u75 h PHE 10 CO 0.05 0.55 0.34 0.28 -2.02 0.00 0.00 178.31 177.51 1u75 h VAL 11 N 0.33 1.25 0.22 1.41 2.07 -1.28 0.34 116.25 120.59 1u75 h VAL 11 Ca 0.10 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1u75 h VAL 11 Cb 0.29 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1u75 h VAL 11 CO 0.00 0.31 -0.11 -0.61 0.02 0.00 0.00 177.57 177.19 1u75 h GLN 12 N 1.11 -0.28 -0.00 1.57 -0.00 -1.20 -3.36 115.11 112.93 1u75 h GLN 12 Ca 0.26 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 1u75 h GLN 12 Cb 0.16 0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.71 1u75 h GLN 12 CO -0.03 0.04 -0.74 1.63 0.00 0.00 0.00 178.83 179.73 1u75 n LYS 13 N -4.97 0.33 0.00 1.69 5.02 -0.20 -4.81 118.16 115.22 1u75 n LYS 13 Ca -0.07 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1u75 n LYS 13 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1u75 n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u75 h ALA 15 N 0.00 1.32 0.00 0.00 0.00 -0.52 -1.20 119.26 118.86 1u75 h ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u75 h ALA 15 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u75 h ALA 15 CO 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.93 1u75 n GLN 16 N -2.77 0.82 0.00 0.00 0.00 -1.26 -3.64 117.38 110.53 1u75 n GLN 16 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.99 1u75 n GLN 16 Cb 0.37 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1u75 n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u75 s HIS 18 N -0.12 1.21 0.11 0.00 3.76 -0.69 -2.70 115.29 116.85 1u75 s HIS 18 Ca 0.00 -0.36 0.06 0.00 -0.15 0.00 0.00 55.06 54.61 1u75 s HIS 18 Cb 0.00 -0.72 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 1u75 s HIS 18 CO 0.00 0.03 -0.01 0.95 -0.85 0.00 0.00 174.74 174.86 1u75 s THR 19 N -0.87 3.88 -0.01 1.30 -4.23 -1.26 -4.45 115.64 109.99 1u75 s THR 19 Ca 0.01 -1.10 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1u75 s THR 19 Cb -0.08 -2.86 -0.12 0.00 1.34 0.00 0.00 72.50 70.78 1u75 s THR 19 CO 0.01 0.08 0.18 1.33 -0.54 0.00 0.00 174.62 175.67 1u75 n VAL 20 N 0.46 0.00 -2.65 2.29 0.24 -1.26 -0.50 118.33 116.91 1u75 n VAL 20 Ca -0.11 -0.18 -0.27 0.00 -2.04 0.00 0.00 64.34 61.74 1u75 n VAL 20 Cb 0.52 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1u75 n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1u75 s GLU 21 N -2.54 3.42 0.13 7.34 1.03 -1.26 -3.05 118.70 123.76 1u75 s GLU 21 Ca -0.03 0.11 -0.30 0.00 0.03 0.00 0.00 54.97 54.78 1u75 s GLU 21 Cb 0.05 -2.38 -0.07 0.00 -0.80 0.00 0.00 34.13 30.93 1u75 s GLU 21 CO 0.33 -0.27 1.14 0.21 -1.33 0.00 0.00 175.26 175.33 1u75 s LYS 22 N -4.75 4.53 0.00 -4.83 2.20 -1.26 -2.26 119.74 113.36 1u75 s LYS 22 Ca 0.48 1.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 1u75 s LYS 22 Cb -0.10 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1u75 s LYS 22 CO 0.44 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 1u75 n GLY 23 N 2.51 0.61 3.69 5.54 0.00 -1.26 -5.04 105.19 111.25 1u75 n GLY 23 Ca 0.05 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1u75 n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u75 s GLY 24 N -2.48 2.15 0.54 -0.02 0.00 -0.96 -5.06 107.32 101.49 1u75 s GLY 24 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 44.72 44.05 1u75 s GLY 24 CO 0.00 0.69 1.09 -1.59 0.00 0.00 0.00 173.10 173.29 1u75 s LYS 25 N 0.99 3.44 -0.08 2.90 -2.85 -1.26 -4.63 119.74 118.25 1u75 s LYS 25 Ca 0.19 1.46 -0.30 0.00 -1.00 0.00 0.00 55.97 56.32 1u75 s LYS 25 Cb -0.14 -2.03 -0.02 0.00 -2.06 0.00 0.00 37.83 33.58 1u75 s LYS 25 CO 0.07 -0.75 1.08 -1.01 0.10 0.00 0.00 175.35 174.84 1u75 s HIS 26 N -1.98 3.40 0.00 1.78 3.76 -1.26 -4.60 115.29 116.39 1u75 s HIS 26 Ca 0.69 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 57.06 1u75 s HIS 26 Cb -0.20 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.21 1u75 s HIS 26 CO 0.27 -0.62 0.00 1.63 -0.85 0.00 0.00 174.74 175.17 1u75 n LYS 27 N 5.06 0.00 -0.39 1.40 4.01 -1.26 -4.84 118.16 122.14 1u75 n LYS 27 Ca 0.10 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.83 1u75 n LYS 27 Cb 0.48 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 35.06 1u75 n LYS 27 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1u75 n THR 28 N 0.00 1.64 -3.61 -0.18 -1.04 -1.25 -4.77 114.28 105.08 1u75 n THR 28 Ca 0.00 -0.61 -0.06 0.00 -2.04 0.00 0.00 64.05 61.35 1u75 n THR 28 Cb 0.00 -0.79 -0.04 0.00 -1.82 0.00 0.00 70.33 67.68 1u75 n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1u75 s GLY 29 N 0.20 -0.08 0.80 3.41 0.00 -1.10 -4.97 107.32 105.59 1u75 s GLY 29 Ca 0.18 2.43 -0.10 0.00 0.00 0.00 0.00 44.72 47.23 1u75 s GLY 29 CO 0.04 1.04 1.10 -4.14 0.00 0.00 0.00 173.10 171.14 1u75 s PRO 30 N -1.15 1.98 0.13 2.90 0.02 -1.26 -4.55 135.00 133.07 1u75 s PRO 30 Ca 0.05 1.21 -0.31 0.00 0.02 0.00 0.00 61.00 61.97 1u75 s PRO 30 Cb -0.01 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.57 1u75 s PRO 30 CO -0.04 -1.85 1.39 0.54 -0.33 0.00 0.00 177.00 176.70 1u75 s ASN 31 N -3.27 6.82 -0.00 2.53 2.20 -1.26 -4.52 114.94 117.44 1u75 s ASN 31 Ca 0.62 2.35 0.01 0.00 -0.94 0.00 0.00 52.86 54.91 1u75 s ASN 31 Cb -0.18 -2.59 0.04 0.00 -2.00 0.00 0.00 41.25 36.52 1u75 s ASN 31 CO 0.56 -0.64 0.98 0.18 -2.94 0.00 0.00 177.10 175.24 1u75 n LEU 32 N 3.75 0.34 -4.76 3.54 4.77 0.34 -4.81 117.00 120.17 1u75 n LEU 32 Ca 0.11 -0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.52 1u75 n LEU 32 Cb 0.42 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 1u75 n LEU 32 CO 0.59 0.08 0.73 -2.28 -1.33 0.00 0.00 177.39 175.18 1u75 s HIS 33 N -1.85 3.68 -0.43 -1.77 2.46 -1.17 -3.64 115.29 112.57 1u75 s HIS 33 Ca 0.03 1.77 -0.01 0.00 0.47 0.00 0.00 55.06 57.31 1u75 s HIS 33 Cb 0.02 -3.15 0.00 0.00 -0.13 0.00 0.00 32.58 29.32 1u75 s HIS 33 CO 0.02 -0.20 0.37 0.41 -2.47 0.00 0.00 174.74 172.87 1u75 n GLY 34 N 1.16 0.28 0.06 1.59 0.00 -0.61 -4.93 105.19 102.73 1u75 n GLY 34 Ca -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 1u75 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u75 h LEU 35 N -0.76 0.00 -8.75 0.99 5.85 -1.73 -3.43 115.31 107.48 1u75 h LEU 35 Ca -0.20 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.97 1u75 h LEU 35 Cb 1.12 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1u75 h LEU 35 CO 0.18 0.67 1.30 -0.36 -0.34 0.00 0.00 178.44 179.89 1u75 s PHE 36 N -2.09 1.78 0.00 1.25 0.08 -1.25 -2.23 117.98 115.51 1u75 s PHE 36 Ca -0.13 0.70 0.00 0.00 0.12 0.00 0.00 56.93 57.63 1u75 s PHE 36 Cb 0.02 -4.11 0.00 0.00 -0.57 0.00 0.00 43.02 38.36 1u75 s PHE 36 CO 0.19 -2.69 0.00 0.41 -0.10 0.00 0.00 175.22 173.02 1u75 n GLY 37 N 5.50 1.79 3.10 4.36 0.00 -0.60 -5.02 105.19 114.32 1u75 n GLY 37 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1u75 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u75 s ARG 38 N -0.72 0.56 0.85 1.61 3.00 -0.95 -4.89 118.95 118.41 1u75 s ARG 38 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 55.73 54.88 1u75 s ARG 38 Cb 0.00 0.22 0.10 0.00 0.00 0.00 0.00 34.95 35.27 1u75 s ARG 38 CO 0.00 -0.14 1.09 0.21 0.00 0.00 0.00 175.30 176.47 1u75 s LYS 39 N -2.50 1.64 0.38 3.54 2.20 -1.26 -0.39 119.74 123.36 1u75 s LYS 39 Ca -0.06 0.87 -0.25 0.00 -0.36 0.00 0.00 55.97 56.17 1u75 s LYS 39 Cb -0.02 -1.85 -0.09 0.00 -1.51 0.00 0.00 37.83 34.36 1u75 s LYS 39 CO -0.04 -1.99 1.06 0.95 -0.36 0.00 0.00 175.35 174.97 1u75 s THR 40 N -2.96 3.67 -1.02 3.43 -4.23 -0.89 -3.63 115.64 110.01 1u75 s THR 40 Ca 0.62 1.34 0.00 0.00 -1.18 0.00 0.00 61.69 62.47 1u75 s THR 40 Cb -0.17 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.95 1u75 s THR 40 CO 0.56 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1u75 n GLY 41 N 0.47 0.04 0.08 3.99 0.00 -1.26 -4.37 105.19 104.15 1u75 n GLY 41 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1u75 n GLY 41 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1u75 h GLN 42 N 0.00 -0.07 -5.77 1.61 -0.00 -1.95 -3.45 115.11 105.49 1u75 h GLN 42 Ca -0.27 0.00 -0.74 0.00 -0.00 0.00 0.00 58.65 57.64 1u75 h GLN 42 Cb 1.16 0.02 -0.04 0.00 -0.00 0.00 0.00 27.48 28.61 1u75 h GLN 42 CO 0.33 0.45 1.24 0.00 -0.00 0.00 0.00 178.83 180.85 1u75 n ALA 43 N -2.65 0.15 -1.62 0.06 0.00 -1.26 -4.85 120.51 110.35 1u75 n ALA 43 Ca -0.06 0.20 -0.44 0.00 0.00 0.00 0.00 53.44 53.13 1u75 n ALA 43 Cb 0.27 -1.99 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 1u75 n ALA 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1u75 n PRO 44 N 7.07 2.21 0.00 0.00 -0.04 -1.26 -3.64 135.00 139.33 1u75 n PRO 44 Ca 0.52 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.69 1u75 n PRO 44 Cb -0.04 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 1u75 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u75 n GLY 45 N 5.28 1.80 3.92 0.55 0.00 -1.26 -5.06 105.19 110.42 1u75 n GLY 45 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1u75 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u75 s PHE 46 N -1.34 3.48 -0.87 1.61 5.36 -1.24 -5.06 117.98 119.93 1u75 s PHE 46 Ca 0.00 0.41 -0.15 0.00 -0.96 0.00 0.00 56.93 56.23 1u75 s PHE 46 Cb 0.00 -1.90 0.20 0.00 -0.34 0.00 0.00 43.02 40.98 1u75 s PHE 46 CO 0.00 0.41 0.88 0.99 -1.46 0.00 0.00 175.22 176.03 1u75 s THR 47 N -1.78 5.40 0.95 0.12 2.01 -1.26 -5.04 115.64 116.05 1u75 s THR 47 Ca 0.39 -2.29 -0.12 0.00 0.31 0.00 0.00 61.69 59.98 1u75 s THR 47 Cb -0.11 -4.56 0.16 0.00 0.01 0.00 0.00 72.50 68.00 1u75 s THR 47 CO 0.28 -1.16 1.09 -0.31 -0.69 0.00 0.00 174.62 173.83 1u75 s TYR 48 N 0.75 2.21 0.19 4.92 1.51 -1.26 -5.08 117.35 120.60 1u75 s TYR 48 Ca 0.22 1.09 0.01 0.00 -1.01 0.00 0.00 57.07 57.38 1u75 s TYR 48 Cb -0.09 -3.23 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 1u75 s TYR 48 CO -0.09 -2.67 0.36 0.95 -1.11 0.00 0.00 175.55 172.98 1u75 s THR 49 N -2.97 5.25 -1.30 -0.71 -4.23 -1.26 -5.00 115.64 105.42 1u75 s THR 49 Ca 0.64 -0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 60.43 1u75 s THR 49 Cb -0.18 -3.76 0.08 0.00 1.34 0.00 0.00 72.50 69.99 1u75 s THR 49 CO 0.57 -0.18 1.73 -0.67 -0.54 0.00 0.00 174.62 175.53 1u75 n ASP 50 N -0.75 4.91 0.00 3.99 2.03 -1.26 -2.31 116.55 123.16 1u75 n ASP 50 Ca -0.06 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1u75 n ASP 50 Cb 0.54 -1.71 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 1u75 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u75 n ALA 51 N 7.76 0.00 -0.00 -1.67 0.00 -1.26 -5.02 120.51 120.31 1u75 n ALA 51 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.70 1u75 n ALA 51 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 1u75 n ALA 51 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1u75 h ASN 52 N 0.00 0.35 0.51 0.00 -1.07 -1.76 -2.93 115.58 110.68 1u75 h ASN 52 Ca 0.00 -0.84 -0.07 0.00 0.07 0.00 0.00 56.30 55.46 1u75 h ASN 52 Cb 0.00 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 36.13 1u75 h ASN 52 CO 0.00 1.60 -0.35 0.50 0.07 0.00 0.00 177.43 179.25 1u75 h LYS 53 N -0.35 0.00 -0.00 4.14 1.63 -1.76 -2.66 116.57 117.56 1u75 h LYS 53 Ca -0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1u75 h LYS 53 Cb 1.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.35 1u75 h LYS 53 CO 0.04 0.35 -0.05 0.09 -3.45 0.00 0.00 179.45 176.44 1u75 n ASN 54 N -3.85 0.10 0.19 4.20 5.03 -1.25 -2.93 115.26 116.75 1u75 n ASN 54 Ca -0.01 -0.02 0.05 0.00 0.87 0.00 0.00 54.58 55.47 1u75 n ASN 54 Cb 0.42 -0.29 0.39 0.00 -1.02 0.00 0.00 39.78 39.28 1u75 n ASN 54 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1u75 h LYS 55 N 0.09 0.00 -6.75 3.52 3.64 -1.27 -3.48 116.57 112.32 1u75 h LYS 55 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 1u75 h LYS 55 Cb 0.38 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.07 1u75 h LYS 55 CO 0.00 0.36 -0.91 0.41 -2.27 0.00 0.00 179.45 177.04 1u75 n GLY 56 N -0.10 -0.20 3.39 5.01 0.00 -1.15 -5.00 105.19 107.13 1u75 n GLY 56 Ca -0.01 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1u75 n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u75 s ILE 57 N -4.06 2.10 0.35 -0.61 -4.36 -1.26 -4.87 121.20 108.49 1u75 s ILE 57 Ca 0.07 -2.08 -0.26 0.00 -0.26 0.00 0.00 60.65 58.12 1u75 s ILE 57 Cb -0.04 -2.04 -0.09 0.00 1.25 0.00 0.00 42.46 41.54 1u75 s ILE 57 CO 0.94 -0.30 1.07 -0.89 0.24 0.00 0.00 174.94 176.00 1u75 s THR 58 N -2.11 3.63 -0.61 8.37 2.01 -1.26 -2.10 115.64 123.56 1u75 s THR 58 Ca 0.21 1.40 -0.18 0.00 0.31 0.00 0.00 61.69 63.43 1u75 s THR 58 Cb -0.06 -3.80 0.12 0.00 0.01 0.00 0.00 72.50 68.77 1u75 s THR 58 CO 0.09 0.16 0.69 0.26 -0.69 0.00 0.00 174.62 175.13 1u75 s TRP 59 N -1.45 3.11 0.38 4.92 0.51 0.48 -4.92 118.94 121.96 1u75 s TRP 59 Ca 0.52 -1.12 0.06 0.00 -2.12 0.00 0.00 56.10 53.45 1u75 s TRP 59 Cb -0.26 -3.97 -0.07 0.00 -0.81 0.00 0.00 33.47 28.35 1u75 s TRP 59 CO 0.33 -1.23 0.01 0.21 -0.51 0.00 0.00 176.95 175.76 1u75 s LYS 60 N 2.30 1.85 0.09 4.98 2.36 -1.22 -1.55 119.74 128.56 1u75 s LYS 60 Ca 0.11 -2.03 -0.22 0.00 -2.55 0.00 0.00 55.97 51.28 1u75 s LYS 60 Cb -0.23 -1.44 -0.07 0.00 -1.05 0.00 0.00 37.83 35.03 1u75 s LYS 60 CO 0.04 -0.06 1.37 0.93 1.55 0.00 0.00 175.35 179.18 1u75 h GLU 61 N 1.90 -0.23 -0.00 4.03 3.07 -1.97 -3.17 114.58 118.21 1u75 h GLU 61 Ca -0.43 0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 58.27 1u75 h GLU 61 Cb 1.24 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.18 1u75 h GLU 61 CO 0.77 -0.15 -0.82 0.93 -1.40 0.00 0.00 179.01 178.34 1u75 h GLU 62 N -0.24 0.07 -3.94 2.33 3.07 -1.99 -3.21 114.58 110.67 1u75 h GLU 62 Ca 0.06 -0.07 -0.77 0.00 -0.50 0.00 0.00 59.36 58.07 1u75 h GLU 62 Cb 0.39 0.02 -0.26 0.00 -0.84 0.00 0.00 28.75 28.07 1u75 h GLU 62 CO -0.44 0.84 -0.06 -0.08 -1.40 0.00 0.00 179.01 177.88 1u75 s THR 63 N -3.22 5.34 0.00 1.13 -1.32 -1.20 -1.72 115.64 114.66 1u75 s THR 63 Ca -0.01 -2.08 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 1u75 s THR 63 Cb 0.11 -4.36 0.00 0.00 -1.51 0.00 0.00 72.50 66.74 1u75 s THR 63 CO 0.80 -0.95 0.00 0.18 -2.21 0.00 0.00 174.62 172.44 1u75 n LEU 64 N 4.50 0.00 0.12 9.08 4.77 -1.26 -3.37 117.00 130.84 1u75 n LEU 64 Ca 0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.11 1u75 n LEU 64 Cb 0.44 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1u75 n LEU 64 CO 0.42 0.00 0.12 -0.03 -1.33 0.00 0.00 177.39 176.57 1u75 h MET 65 N 0.00 0.00 0.03 3.23 4.05 -1.33 -2.81 114.93 118.10 1u75 h MET 65 Ca 0.00 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.04 1u75 h MET 65 Cb 0.00 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.74 1u75 h MET 65 CO 0.00 0.00 -2.32 0.39 0.23 0.00 0.00 176.91 175.21 1u75 n GLU 66 N -2.73 0.68 0.18 0.39 1.02 -1.21 -4.24 120.64 114.73 1u75 n GLU 66 Ca 0.00 0.17 0.02 0.00 -0.02 0.00 0.00 57.16 57.34 1u75 n GLU 66 Cb 0.55 -1.58 0.34 0.00 -0.02 0.00 0.00 31.44 30.73 1u75 n GLU 66 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1u75 h TYR 67 N 0.02 0.02 0.00 -0.32 5.03 -1.85 -2.69 116.97 117.19 1u75 h TYR 67 Ca -0.53 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 60.75 1u75 h TYR 67 Cb 1.97 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 40.24 1u75 h TYR 67 CO 0.04 0.39 -0.16 1.25 -1.32 0.00 0.00 178.16 178.37 1u75 h LEU 68 N 0.02 0.00 0.27 2.82 5.85 -1.69 -2.05 115.31 120.53 1u75 h LEU 68 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1u75 h LEU 68 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1u75 h LEU 68 CO 0.05 0.16 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.10 1u75 h GLU 69 N 0.00 -0.34 -3.41 1.25 4.81 -1.42 0.14 114.58 115.61 1u75 h GLU 69 Ca -0.00 0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.69 1u75 h GLU 69 Cb 0.45 0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.51 1u75 h GLU 69 CO 0.02 -0.03 -0.76 1.21 -0.73 0.00 0.00 179.01 178.72 1u75 s ASN 70 N -5.23 3.81 0.54 1.04 3.84 -1.09 -3.93 114.94 113.92 1u75 s ASN 70 Ca -0.11 -1.48 0.32 0.00 0.21 0.00 0.00 52.86 51.81 1u75 s ASN 70 Cb 0.01 -0.74 1.43 0.00 -0.55 0.00 0.00 41.25 41.40 1u75 s ASN 70 CO 0.38 -0.41 2.02 -0.65 -2.79 0.00 0.00 177.10 175.65 1u75 h PRO 71 N 8.17 0.00 0.00 0.43 0.11 -1.60 -2.41 132.00 136.70 1u75 h PRO 71 Ca -0.15 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.67 1u75 h PRO 71 Cb 1.03 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1u75 h PRO 71 CO 0.45 0.06 -1.68 1.57 -0.21 0.00 0.00 178.00 178.19 1u75 h LYS 72 N 0.00 0.00 0.14 1.05 2.10 -1.84 -3.17 116.57 114.86 1u75 h LYS 72 Ca -0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1u75 h LYS 72 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1u75 h LYS 72 CO 0.01 0.53 -0.07 -0.22 -2.00 0.00 0.00 179.45 177.70 1u75 h LYS 73 N 0.00 -0.19 0.00 0.07 3.64 -1.86 -3.21 116.57 115.03 1u75 h LYS 73 Ca -0.27 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1u75 h LYS 73 Cb 2.00 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1u75 h LYS 73 CO 0.08 0.26 0.00 -0.92 -2.27 0.00 0.00 179.45 176.60 1u75 h TYR 74 N -0.86 0.00 -2.68 1.91 -0.00 -1.64 -3.39 116.97 110.31 1u75 h TYR 74 Ca -0.02 0.00 -0.45 0.00 -0.00 0.00 0.00 58.73 58.26 1u75 h TYR 74 Cb 0.53 0.00 -0.38 0.00 -0.00 0.00 0.00 36.73 36.88 1u75 h TYR 74 CO 0.09 0.00 -0.73 0.42 -0.00 0.00 0.00 178.16 177.94 1u75 s ILE 75 N -3.46 -0.17 0.57 1.81 1.01 -1.20 -5.09 121.20 114.67 1u75 s ILE 75 Ca 0.03 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 1u75 s ILE 75 Cb 0.09 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 1u75 s ILE 75 CO 0.48 -0.53 1.09 -2.16 0.00 0.00 0.00 174.94 173.81 1u75 s PRO 76 N 2.18 3.32 -1.39 2.79 0.04 -1.21 -4.20 135.00 136.54 1u75 s PRO 76 Ca 0.08 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.51 1u75 s PRO 76 Cb -0.16 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.38 1u75 s PRO 76 CO -0.28 -0.84 0.60 0.41 0.04 0.00 0.00 177.00 176.93 1u75 n GLY 77 N -0.33 -0.28 3.96 0.56 0.00 -1.26 -4.76 105.19 103.07 1u75 n GLY 77 Ca 0.10 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 1u75 n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u75 s THR 78 N -3.75 3.35 -1.34 2.61 -1.32 -1.26 -4.76 115.64 109.16 1u75 s THR 78 Ca 0.09 -1.12 0.17 0.00 -1.21 0.00 0.00 61.69 59.62 1u75 s THR 78 Cb -0.05 -3.15 0.50 0.00 -1.51 0.00 0.00 72.50 68.29 1u75 s THR 78 CO 0.85 -0.07 1.42 1.17 -2.21 0.00 0.00 174.62 175.78 1u75 n LYS 79 N -1.66 2.91 -2.62 7.08 3.00 -1.26 -4.87 118.16 120.74 1u75 n LYS 79 Ca 0.03 -2.42 -0.41 0.00 -0.00 0.00 0.00 58.31 55.50 1u75 n LYS 79 Cb 0.59 -1.48 -0.03 0.00 0.00 0.00 0.00 35.03 34.11 1u75 n LYS 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1u75 s MET 80 N -1.16 3.35 -1.18 1.64 1.75 -1.26 -4.92 119.30 117.52 1u75 s MET 80 Ca 0.37 -0.73 -0.15 0.00 -1.25 0.00 0.00 55.69 53.93 1u75 s MET 80 Cb 0.21 -4.65 0.15 0.00 2.84 0.00 0.00 34.83 33.37 1u75 s MET 80 CO 0.24 -2.10 1.44 0.96 -0.65 0.00 0.00 175.02 174.90 1u75 s ILE 81 N 5.05 4.82 -0.09 10.11 -0.00 -1.26 -4.83 121.20 134.99 1u75 s ILE 81 Ca 0.37 -2.33 -0.04 0.00 -0.00 0.00 0.00 60.65 58.65 1u75 s ILE 81 Cb -0.06 -4.94 0.04 0.00 -0.00 0.00 0.00 42.46 37.50 1u75 s ILE 81 CO 0.04 -1.68 0.20 0.12 -0.00 0.00 0.00 174.94 173.62 1u75 s PHE 82 N 2.24 -0.25 -1.23 1.37 5.36 -1.26 -5.04 117.98 119.16 1u75 s PHE 82 Ca 0.43 0.65 0.29 0.00 -0.96 0.00 0.00 56.93 57.33 1u75 s PHE 82 Cb -0.02 -0.03 1.34 0.00 -0.34 0.00 0.00 43.02 43.97 1u75 s PHE 82 CO -0.00 -0.21 1.96 0.00 -1.46 0.00 0.00 175.22 175.50 1u75 n ALA 83 N 4.33 2.36 0.00 11.12 0.00 -1.26 -4.49 120.51 132.57 1u75 n ALA 83 Ca -0.24 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1u75 n ALA 83 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1u75 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u75 n GLY 84 N 1.28 -2.30 3.72 0.00 0.00 -1.25 -4.64 105.19 101.99 1u75 n GLY 84 Ca 0.11 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 1u75 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u75 s ILE 85 N -3.44 5.15 -0.10 -0.61 1.09 0.51 -4.92 121.20 118.88 1u75 s ILE 85 Ca 0.00 1.07 0.11 0.00 -1.10 0.00 0.00 60.65 60.74 1u75 s ILE 85 Cb 0.00 -3.87 -0.24 0.00 -1.06 0.00 0.00 42.46 37.29 1u75 s ILE 85 CO 0.00 0.31 0.46 0.29 -0.10 0.00 0.00 174.94 175.91 1u75 n LYS 86 N 3.65 0.66 -1.34 2.79 4.76 -1.26 -3.13 118.16 124.29 1u75 n LYS 86 Ca -0.06 0.22 -0.32 0.00 -2.87 0.00 0.00 58.31 55.28 1u75 n LYS 86 Cb 0.52 -1.71 0.09 0.00 -1.84 0.00 0.00 35.03 32.08 1u75 n LYS 86 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1u75 s LYS 87 N -2.57 2.27 -0.13 1.97 2.20 -1.26 -4.95 119.74 117.27 1u75 s LYS 87 Ca -0.09 1.28 -0.02 0.00 -0.36 0.00 0.00 55.97 56.79 1u75 s LYS 87 Cb 0.07 -1.89 -0.24 0.00 -1.51 0.00 0.00 37.83 34.26 1u75 s LYS 87 CO 0.81 -1.65 0.31 1.63 -0.36 0.00 0.00 175.35 176.09 1u75 n LYS 88 N -3.28 0.72 -0.35 4.03 5.02 -1.26 -3.73 118.16 119.31 1u75 n LYS 88 Ca 0.10 0.24 -0.03 0.00 -2.02 0.00 0.00 58.31 56.60 1u75 n LYS 88 Cb 0.53 -1.69 0.10 0.00 -0.02 0.00 0.00 35.03 33.95 1u75 n LYS 88 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1u75 h THR 89 N 0.05 1.26 0.01 -0.18 2.02 -1.98 0.10 112.91 114.19 1u75 h THR 89 Ca -0.43 -0.57 -0.25 0.00 0.77 0.00 0.00 66.41 65.93 1u75 h THR 89 Cb 2.02 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1u75 h THR 89 CO 0.06 0.27 -1.01 -0.08 0.37 0.00 0.00 175.52 175.13 1u75 h GLU 90 N 1.31 0.53 -0.20 6.66 4.81 -1.99 -2.15 114.58 123.55 1u75 h GLU 90 Ca 0.34 -0.59 -0.11 0.00 -0.13 0.00 0.00 59.36 58.87 1u75 h GLU 90 Cb -0.05 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1u75 h GLU 90 CO -0.06 1.21 -0.36 0.00 -0.73 0.00 0.00 179.01 179.07 1u75 h ARG 91 N 0.29 0.42 -0.34 1.92 2.47 -1.56 -1.76 114.38 115.82 1u75 h ARG 91 Ca -0.11 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.37 1u75 h ARG 91 Cb 1.66 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.96 1u75 h ARG 91 CO 0.19 0.73 0.02 1.49 0.56 0.00 0.00 179.97 182.95 1u75 h GLU 92 N 0.36 0.59 0.00 0.04 4.81 -0.79 -2.17 114.58 117.43 1u75 h GLU 92 Ca 0.04 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1u75 h GLU 92 Cb 0.80 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1u75 h GLU 92 CO 0.06 0.70 -0.46 -0.44 -0.73 0.00 0.00 179.01 178.14 1u75 h ASP 93 N 0.41 0.00 0.20 1.04 3.32 -1.19 -2.16 116.42 118.03 1u75 h ASP 93 Ca 0.10 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.83 1u75 h ASP 93 Cb 0.42 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.00 1u75 h ASP 93 CO 0.01 0.46 -1.36 0.25 -1.72 0.00 0.00 179.24 176.88 1u75 h LEU 94 N 0.00 0.87 -0.75 1.55 6.46 -1.28 -3.10 115.31 119.06 1u75 h LEU 94 Ca -0.00 -0.86 -0.09 0.00 -0.12 0.00 0.00 57.88 56.80 1u75 h LEU 94 Cb 1.07 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1u75 h LEU 94 CO 0.06 1.66 -0.04 0.40 -0.62 0.00 0.00 178.44 179.90 1u75 h ILE 95 N 0.22 1.26 -0.02 4.05 2.04 -1.41 -1.55 117.51 122.09 1u75 h ILE 95 Ca -0.22 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.51 1u75 h ILE 95 Cb 2.04 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1u75 h ILE 95 CO 0.26 0.40 -0.03 0.00 0.00 0.00 0.00 178.15 178.78 1u75 h ALA 96 N 1.11 -0.01 0.00 1.87 0.00 -1.45 -2.81 119.26 117.97 1u75 h ALA 96 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u75 h ALA 96 Cb 0.55 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1u75 h ALA 96 CO 0.03 -0.52 -0.00 -0.92 0.00 0.00 0.00 179.25 177.84 1u75 h TYR 97 N -0.05 -0.00 -0.73 0.00 5.03 -1.45 -3.12 116.97 116.65 1u75 h TYR 97 Ca 0.02 -0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.48 1u75 h TYR 97 Cb 0.08 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 38.25 1u75 h TYR 97 CO -0.11 0.04 0.21 1.25 -1.32 0.00 0.00 178.16 178.23 1u75 h LEU 98 N -0.04 0.10 -2.65 2.82 5.85 -1.18 -1.03 115.31 119.17 1u75 h LEU 98 Ca -0.00 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1u75 h LEU 98 Cb 0.04 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1u75 h LEU 98 CO 0.00 0.01 -0.01 0.50 -0.34 0.00 0.00 178.44 178.60 1u75 h LYS 99 N 0.32 0.00 0.00 1.25 3.11 -1.43 0.17 116.57 119.99 1u75 h LYS 99 Ca 0.41 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.25 1u75 h LYS 99 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1u75 h LYS 99 CO -0.47 0.01 0.00 1.17 -2.81 0.00 0.00 179.45 177.35 1u75 n LYS 100 N -3.42 0.00 0.20 1.90 4.81 -0.66 -4.38 118.16 116.61 1u75 n LYS 100 Ca -0.03 0.31 0.15 0.00 -0.87 0.00 0.00 58.31 57.87 1u75 n LYS 100 Cb 0.10 -0.80 0.77 0.00 0.02 0.00 0.00 35.03 35.12 1u75 n LYS 100 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u75 h ALA 101 N -2.00 1.93 -0.46 3.14 0.00 -1.06 -0.71 119.26 120.10 1u75 h ALA 101 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u75 h ALA 101 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u75 h ALA 101 CO 0.00 -0.23 0.00 0.25 0.00 0.00 0.00 179.25 179.27 1u75 n THR 102 N -4.10 1.36 0.11 0.00 -2.24 0.57 -4.30 114.28 105.67 1u75 n THR 102 Ca 0.01 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1u75 n THR 102 Cb 0.27 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1u75 n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1u75 n ASN 103 N 0.71 -0.81 0.00 3.42 5.15 -0.97 -1.57 115.26 121.19 1u75 n ASN 103 Ca 0.18 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 1u75 n ASN 103 Cb 0.70 0.91 0.00 0.00 -0.53 0.00 0.00 39.78 40.86 1u75 n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04