#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1q s ILE 3 N 0.00 1.44 0.13 1.69 -4.36 -0.69 -0.74 121.20 118.68 1s1q s ILE 3 Ca 0.00 -2.01 0.11 0.00 -0.26 0.00 0.00 60.65 58.48 1s1q s ILE 3 Cb 0.00 -2.80 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 1s1q s ILE 3 CO 0.00 -0.04 -0.26 -0.36 0.24 0.00 0.00 174.94 174.52 1s1q s PHE 4 N -3.12 2.32 -0.07 1.37 0.08 -0.12 -0.96 117.98 117.47 1s1q s PHE 4 Ca 0.35 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 57.04 1s1q s PHE 4 Cb 0.08 -1.24 0.02 0.00 -0.57 0.00 0.00 43.02 41.31 1s1q s PHE 4 CO 0.16 0.35 -0.08 0.08 -0.10 0.00 0.00 175.22 175.63 1s1q s VAL 5 N -1.11 0.87 -0.05 -0.44 1.01 -0.54 -0.65 120.40 119.50 1s1q s VAL 5 Ca 0.15 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1s1q s VAL 5 Cb -0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1s1q s VAL 5 CO 0.06 0.32 -0.22 -0.54 0.00 0.00 0.00 175.10 174.72 1s1q s LYS 6 N 1.16 2.46 0.42 2.72 1.02 0.02 -1.18 119.74 126.37 1s1q s LYS 6 Ca -0.06 -0.86 0.08 0.00 0.02 0.00 0.00 55.97 55.15 1s1q s LYS 6 Cb -0.14 -2.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.98 1s1q s LYS 6 CO -0.02 0.47 0.58 0.95 -0.92 0.00 0.00 175.35 176.41 1s1q s THR 7 N -0.37 2.99 0.13 2.17 -4.23 -1.26 -0.11 115.64 114.96 1s1q s THR 7 Ca 0.03 -0.99 -0.20 0.00 -1.18 0.00 0.00 61.69 59.35 1s1q s THR 7 Cb -0.12 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1s1q s THR 7 CO 0.02 0.00 1.70 -0.07 -0.54 0.00 0.00 174.62 175.73 1s1q h LEU 8 N 0.62 -0.21 -9.71 4.79 3.38 -2.00 -3.40 115.31 108.78 1s1q h LEU 8 Ca -0.40 0.07 -0.59 0.00 0.09 0.00 0.00 57.88 57.04 1s1q h LEU 8 Cb 1.28 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.09 1s1q h LEU 8 CO 0.45 -0.07 -0.58 0.42 0.09 0.00 0.00 178.44 178.75 1s1q s THR 9 N -6.20 4.46 0.00 0.22 -4.23 -1.26 -5.10 115.64 103.52 1s1q s THR 9 Ca -0.13 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1s1q s THR 9 Cb 0.11 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1s1q s THR 9 CO 0.69 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 1s1q n GLY 10 N -0.10 1.12 3.77 3.99 0.00 -1.26 -5.02 105.19 107.69 1s1q n GLY 10 Ca -0.08 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1s1q n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s1q s LYS 11 N -1.34 3.47 0.10 1.61 2.47 -1.26 -4.78 119.74 120.02 1s1q s LYS 11 Ca 0.00 1.70 -0.30 0.00 -1.56 0.00 0.00 55.97 55.81 1s1q s LYS 11 Cb 0.00 -2.15 -0.06 0.00 -1.46 0.00 0.00 37.83 34.17 1s1q s LYS 11 CO 0.00 -0.77 0.99 0.99 0.16 0.00 0.00 175.35 176.72 1s1q s THR 12 N -1.67 4.44 0.10 3.43 2.01 -1.26 -4.66 115.64 118.04 1s1q s THR 12 Ca 0.70 1.99 -0.21 0.00 0.31 0.00 0.00 61.69 64.48 1s1q s THR 12 Cb -0.26 -4.27 -0.07 0.00 0.01 0.00 0.00 72.50 67.90 1s1q s THR 12 CO 0.30 0.29 0.63 -0.63 -0.69 0.00 0.00 174.62 174.52 1s1q s ILE 13 N 0.12 4.63 -0.19 1.82 1.01 -0.33 -4.95 121.20 123.32 1s1q s ILE 13 Ca 0.48 1.36 -0.03 0.00 0.00 0.00 0.00 60.65 62.46 1s1q s ILE 13 Cb -0.24 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1s1q s ILE 13 CO 0.30 0.55 -0.06 -0.89 0.00 0.00 0.00 174.94 174.84 1s1q s THR 14 N -1.12 3.40 0.17 2.92 2.01 -1.26 -1.47 115.64 120.29 1s1q s THR 14 Ca 0.31 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.88 1s1q s THR 14 Cb -0.21 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1s1q s THR 14 CO 0.21 0.45 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.81 1s1q s LEU 15 N 1.10 3.22 -0.22 4.42 1.43 -0.14 -4.99 118.68 123.50 1s1q s LEU 15 Ca 0.01 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1s1q s LEU 15 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1s1q s LEU 15 CO -0.01 0.10 0.07 -1.61 0.23 0.00 0.00 176.35 175.13 1s1q s GLU 16 N -2.85 3.77 0.24 1.70 0.41 -1.26 -1.70 118.70 119.01 1s1q s GLU 16 Ca 0.26 -0.43 -0.01 0.00 -0.41 0.00 0.00 54.97 54.38 1s1q s GLU 16 Cb -0.09 -3.28 -0.03 0.00 -1.78 0.00 0.00 34.13 28.95 1s1q s GLU 16 CO 0.17 -0.02 0.24 0.14 -0.49 0.00 0.00 175.26 175.31 1s1q s VAL 17 N 1.15 0.00 0.06 2.63 -7.23 -1.26 -5.01 120.40 110.75 1s1q s VAL 17 Ca 0.04 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1s1q s VAL 17 Cb -0.14 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1s1q s VAL 17 CO 0.03 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.10 1s1q s GLU 18 N -3.90 0.72 0.48 4.82 0.41 -1.26 -4.68 118.70 115.28 1s1q s GLU 18 Ca 0.36 -0.92 0.31 0.00 -0.41 0.00 0.00 54.97 54.32 1s1q s GLU 18 Cb 0.04 -0.58 1.41 0.00 -1.78 0.00 0.00 34.13 33.23 1s1q s GLU 18 CO 0.15 0.12 1.75 -1.35 -0.49 0.00 0.00 175.26 175.44 1s1q h PRO 19 N 4.25 0.13 0.00 0.39 0.11 -1.96 -1.06 132.00 133.86 1s1q h PRO 19 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1s1q h PRO 19 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1s1q h PRO 19 CO 0.42 0.09 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 1s1q n SER 20 N -4.37 0.43 -4.72 -2.05 3.41 -1.26 -1.15 113.62 103.91 1s1q n SER 20 Ca 0.29 0.55 -0.43 0.00 -0.26 0.00 0.00 58.87 59.02 1s1q n SER 20 Cb 1.22 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1s1q n SER 20 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s1q n ASP 21 N -1.92 3.51 -4.79 4.04 8.00 -0.40 -4.78 116.55 120.22 1s1q n ASP 21 Ca 0.06 1.15 -0.30 0.00 0.71 0.00 0.00 54.79 56.40 1s1q n ASP 21 Cb 0.36 -1.54 0.10 0.00 -0.02 0.00 0.00 41.12 40.01 1s1q n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1s1q s THR 22 N -0.05 3.06 0.35 -3.53 -4.23 -1.26 -1.92 115.64 108.06 1s1q s THR 22 Ca 0.65 0.34 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 1s1q s THR 22 Cb -0.54 -3.03 0.22 0.00 1.34 0.00 0.00 72.50 70.49 1s1q s THR 22 CO 0.49 -0.45 1.96 0.40 -0.54 0.00 0.00 174.62 176.48 1s1q h ILE 23 N -1.16 1.17 -0.84 2.99 1.08 -0.93 -1.25 117.51 118.58 1s1q h ILE 23 Ca -0.47 -0.48 -0.03 0.00 -0.39 0.00 0.00 64.86 63.49 1s1q h ILE 23 Cb 1.27 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.52 1s1q h ILE 23 CO 0.58 0.20 0.41 -0.08 -0.69 0.00 0.00 178.15 178.57 1s1q h GLU 24 N 0.69 1.19 -0.71 2.37 4.57 -1.66 -0.92 114.58 120.11 1s1q h GLU 24 Ca 0.17 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1s1q h GLU 24 Cb 0.08 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1s1q h GLU 24 CO -0.02 0.90 0.29 -0.91 -1.18 0.00 0.00 179.01 178.10 1s1q h ASN 25 N 1.18 0.95 -0.61 1.04 2.35 -1.57 -1.08 115.58 117.85 1s1q h ASN 25 Ca 0.29 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1s1q h ASN 25 Cb 0.09 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1s1q h ASN 25 CO -0.04 0.84 0.05 0.58 -1.65 0.00 0.00 177.43 177.21 1s1q h VAL 26 N 1.02 1.26 -0.34 2.81 2.07 -0.75 -1.65 116.25 120.67 1s1q h VAL 26 Ca 0.24 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.58 1s1q h VAL 26 Cb 0.18 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1s1q h VAL 26 CO -0.02 0.40 -0.16 0.11 0.02 0.00 0.00 177.57 177.91 1s1q h LYS 27 N 0.95 0.63 -0.50 1.57 1.57 -0.69 -1.69 116.57 118.40 1s1q h LYS 27 Ca 0.18 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1s1q h LYS 27 Cb 0.50 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1s1q h LYS 27 CO 0.02 0.76 0.09 0.00 -0.57 0.00 0.00 179.45 179.75 1s1q h ALA 28 N 1.26 1.21 -0.10 3.86 0.00 -1.00 -0.64 119.26 123.86 1s1q h ALA 28 Ca 0.09 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1s1q h ALA 28 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1s1q h ALA 28 CO 0.04 0.53 -0.33 0.87 0.00 0.00 0.00 179.25 180.37 1s1q h LYS 29 N 0.75 0.19 -0.18 0.00 1.57 -0.63 -1.89 116.57 116.37 1s1q h LYS 29 Ca 0.16 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 1s1q h LYS 29 Cb 0.33 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1s1q h LYS 29 CO 0.00 0.50 -0.35 0.82 -0.57 0.00 0.00 179.45 179.86 1s1q h ILE 30 N 0.17 1.34 -0.99 1.86 2.04 -0.72 -2.10 117.51 119.11 1s1q h ILE 30 Ca 0.02 -1.58 0.14 0.00 1.00 0.00 0.00 64.86 64.44 1s1q h ILE 30 Cb 0.67 1.90 -0.09 0.00 -0.74 0.00 0.00 36.82 38.55 1s1q h ILE 30 CO 0.05 0.48 0.61 -0.61 0.00 0.00 0.00 178.15 178.69 1s1q h GLN 31 N 0.22 0.89 -0.14 2.37 4.15 -1.00 0.15 115.11 121.75 1s1q h GLN 31 Ca 0.01 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1s1q h GLN 31 Cb 0.94 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1s1q h GLN 31 CO 0.08 0.59 -0.42 -0.44 -1.93 0.00 0.00 178.83 176.71 1s1q h ASP 32 N 0.92 0.34 0.65 -0.69 3.32 -1.04 0.26 116.42 120.17 1s1q h ASP 32 Ca 0.51 -0.15 -0.23 0.00 0.02 0.00 0.00 57.03 57.18 1s1q h ASP 32 Cb 0.58 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1s1q h ASP 32 CO -0.29 0.73 -1.05 0.11 -1.72 0.00 0.00 179.24 177.01 1s1q h LYS 33 N 0.26 0.22 0.00 3.56 1.79 -0.74 -3.42 116.57 118.24 1s1q h LYS 33 Ca 0.02 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1s1q h LYS 33 Cb 0.86 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1s1q h LYS 33 CO 0.07 1.08 -0.55 0.39 -1.08 0.00 0.00 179.45 179.37 1s1q n GLU 34 N -3.57 2.59 0.00 3.15 -0.58 0.46 -5.05 120.64 117.64 1s1q n GLU 34 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1s1q n GLU 34 Cb 0.92 -0.77 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 1s1q n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s1q n GLY 35 N 1.49 1.23 3.70 0.62 0.00 0.89 -5.00 105.19 108.11 1s1q n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1s1q n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1q s ILE 36 N -2.29 3.22 0.32 -0.61 1.01 -1.26 -4.91 121.20 116.69 1s1q s ILE 36 Ca 0.00 0.72 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 1s1q s ILE 36 Cb 0.00 -3.46 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 1s1q s ILE 36 CO 0.00 0.01 1.34 -2.84 0.00 0.00 0.00 174.94 173.45 1s1q s PRO 37 N 2.17 4.32 0.36 2.79 0.02 -1.26 -3.82 135.00 139.59 1s1q s PRO 37 Ca 0.69 2.26 0.15 0.00 0.02 0.00 0.00 61.00 64.13 1s1q s PRO 37 Cb -0.37 -3.07 1.04 0.00 0.02 0.00 0.00 34.50 32.12 1s1q s PRO 37 CO 0.30 -0.25 1.73 -1.35 -0.33 0.00 0.00 177.00 177.10 1s1q h PRO 38 N 3.60 0.42 0.00 5.54 0.11 -1.93 -0.85 132.00 138.89 1s1q h PRO 38 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1s1q h PRO 38 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1s1q h PRO 38 CO 0.67 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 1s1q n ASP 39 N -4.77 0.00 -1.12 -2.05 5.68 -1.26 -1.81 116.55 111.21 1s1q n ASP 39 Ca 0.27 0.28 0.12 0.00 -0.50 0.00 0.00 54.79 54.96 1s1q n ASP 39 Cb 0.88 -0.40 0.19 0.00 -1.14 0.00 0.00 41.12 40.65 1s1q n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s1q n GLN 40 N -1.40 2.48 -4.42 0.11 6.02 -0.32 -4.90 117.38 114.95 1s1q n GLN 40 Ca 0.07 -2.22 -0.34 0.00 -0.01 0.00 0.00 57.00 54.50 1s1q n GLN 40 Cb 0.19 -1.51 -0.12 0.00 1.02 0.00 0.00 30.24 29.82 1s1q n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1s1q s GLN 41 N -1.62 3.52 -0.14 -1.09 -0.21 -0.75 -0.35 119.66 119.02 1s1q s GLN 41 Ca 0.36 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.24 1s1q s GLN 41 Cb 0.22 -2.87 -0.00 0.00 1.00 0.00 0.00 33.01 31.36 1s1q s GLN 41 CO 0.32 0.33 -0.16 1.03 -2.12 0.00 0.00 175.29 174.68 1s1q s ARG 42 N 0.12 3.21 -0.09 2.91 0.52 -0.27 -4.95 118.95 120.41 1s1q s ARG 42 Ca -0.01 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 1s1q s ARG 42 Cb -0.14 -2.58 -0.02 0.00 0.52 0.00 0.00 34.95 32.73 1s1q s ARG 42 CO 0.03 0.06 -0.11 -0.51 0.02 0.00 0.00 175.30 174.79 1s1q s LEU 43 N 0.70 2.89 0.01 2.53 1.43 -1.26 -1.08 118.68 123.89 1s1q s LEU 43 Ca -0.08 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1s1q s LEU 43 Cb -0.16 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1s1q s LEU 43 CO 0.02 0.27 -0.10 -0.63 0.23 0.00 0.00 176.35 176.14 1s1q s ILE 44 N -0.27 0.79 -0.17 -0.59 1.01 0.15 -0.92 121.20 121.19 1s1q s ILE 44 Ca 0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 1s1q s ILE 44 Cb -0.13 -0.70 0.08 0.00 0.01 0.00 0.00 42.46 41.72 1s1q s ILE 44 CO 0.03 0.10 0.37 0.12 0.00 0.00 0.00 174.94 175.55 1s1q s PHE 45 N -0.49 -0.66 -1.55 3.97 5.36 -0.07 -0.99 117.98 123.55 1s1q s PHE 45 Ca 0.02 1.33 -0.09 0.00 -0.96 0.00 0.00 56.93 57.23 1s1q s PHE 45 Cb -0.05 0.20 0.07 0.00 -0.34 0.00 0.00 43.02 42.90 1s1q s PHE 45 CO 0.00 -0.42 0.57 0.00 -1.46 0.00 0.00 175.22 173.91 1s1q n ALA 46 N 5.22 -1.66 -0.46 11.12 0.00 -1.26 -1.64 120.51 131.84 1s1q n ALA 46 Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1s1q n ALA 46 Cb 0.50 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1s1q n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s1q n GLY 47 N -1.76 0.77 3.40 0.00 0.00 -1.26 -5.05 105.19 101.30 1s1q n GLY 47 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1s1q n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s1q s LYS 48 N -0.52 2.83 -0.21 1.61 1.02 -0.65 -5.10 119.74 118.72 1s1q s LYS 48 Ca 0.00 -0.73 -0.28 0.00 0.02 0.00 0.00 55.97 54.98 1s1q s LYS 48 Cb 0.00 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 1s1q s LYS 48 CO 0.00 0.43 0.99 -1.14 -0.92 0.00 0.00 175.35 174.72 1s1q s GLN 49 N -0.24 4.27 0.35 1.68 0.74 -1.26 -0.89 119.66 124.31 1s1q s GLN 49 Ca 0.01 1.28 -0.25 0.00 0.05 0.00 0.00 55.36 56.45 1s1q s GLN 49 Cb -0.13 -3.62 -0.10 0.00 1.10 0.00 0.00 33.01 30.26 1s1q s GLN 49 CO 0.03 -0.55 0.99 -0.51 -0.55 0.00 0.00 175.29 174.70 1s1q s LEU 50 N 2.92 4.27 -0.13 3.68 1.43 -0.10 -5.00 118.68 125.75 1s1q s LEU 50 Ca 0.43 1.93 -0.09 0.00 -1.03 0.00 0.00 54.13 55.37 1s1q s LEU 50 Cb -0.16 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 1s1q s LEU 50 CO 0.08 -0.23 0.18 -1.61 0.23 0.00 0.00 176.35 175.01 1s1q s GLU 51 N -2.21 3.72 0.24 1.70 2.02 -1.26 -4.69 118.70 118.23 1s1q s GLU 51 Ca 0.53 -0.07 -0.04 0.00 0.02 0.00 0.00 54.97 55.41 1s1q s GLU 51 Cb -0.20 -3.26 0.45 0.00 0.10 0.00 0.00 34.13 31.21 1s1q s GLU 51 CO 0.26 0.62 1.75 -0.44 0.02 0.00 0.00 175.26 177.47 1s1q h ASP 52 N 5.45 0.39 0.99 -0.19 3.32 -1.96 -2.41 116.42 122.01 1s1q h ASP 52 Ca -0.50 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 1s1q h ASP 52 Cb 1.21 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1s1q h ASP 52 CO 0.64 0.17 -0.20 1.23 -1.72 0.00 0.00 179.24 179.36 1s1q h GLY 53 N 0.53 0.00 -1.18 2.75 0.00 -1.96 -2.19 103.07 101.02 1s1q h GLY 53 Ca 0.41 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.24 1s1q h GLY 53 CO -0.36 0.00 0.41 0.50 0.00 0.00 0.00 176.54 177.09 1s1q s ARG 54 N -3.61 3.14 0.37 4.80 0.52 -0.91 -4.81 118.95 118.45 1s1q s ARG 54 Ca 0.01 0.61 0.07 0.00 -0.52 0.00 0.00 55.73 55.90 1s1q s ARG 54 Cb 0.10 -2.04 -0.00 0.00 0.52 0.00 0.00 34.95 33.52 1s1q s ARG 54 CO 0.63 -0.87 0.50 0.95 0.02 0.00 0.00 175.30 176.53 1s1q s THR 55 N -3.27 3.59 0.22 0.02 -4.23 -1.26 -0.87 115.64 109.84 1s1q s THR 55 Ca 0.57 -1.02 -0.09 0.00 -1.18 0.00 0.00 61.69 59.97 1s1q s THR 55 Cb -0.11 -3.23 0.19 0.00 1.34 0.00 0.00 72.50 70.69 1s1q s THR 55 CO 0.53 -0.09 1.88 -0.07 -0.54 0.00 0.00 174.62 176.33 1s1q h LEU 56 N 0.81 0.97 -1.12 4.79 3.38 -1.22 -2.49 115.31 120.44 1s1q h LEU 56 Ca -0.43 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1s1q h LEU 56 Cb 1.27 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1s1q h LEU 56 CO 0.50 0.72 0.60 0.77 0.09 0.00 0.00 178.44 181.12 1s1q h SER 57 N 1.13 1.00 -0.03 -0.43 4.64 -1.41 -1.72 113.55 116.74 1s1q h SER 57 Ca 0.30 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1s1q h SER 57 Cb -0.10 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.75 1s1q h SER 57 CO -0.06 0.70 0.02 0.44 -0.87 0.00 0.00 176.83 177.06 1s1q h ASP 58 N 1.17 0.00 0.10 4.97 3.32 -1.73 -0.06 116.42 124.19 1s1q h ASP 58 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1s1q h ASP 58 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1s1q h ASP 58 CO -0.10 0.00 -0.29 -1.22 -1.72 0.00 0.00 179.24 175.91 1s1q n TYR 59 N -4.52 0.00 -3.22 4.55 4.01 -0.83 -4.96 117.16 112.18 1s1q n TYR 59 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.48 1s1q n TYR 59 Cb 0.12 -0.05 0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1s1q n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1s1q n ASN 60 N -0.18 -5.91 -4.66 7.72 3.02 -0.04 -4.94 115.26 110.28 1s1q n ASN 60 Ca 0.12 -0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 53.86 1s1q n ASN 60 Cb 0.41 -4.75 -0.02 0.00 -0.61 0.00 0.00 39.78 34.81 1s1q n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1s1q s ILE 61 N -3.19 4.47 0.46 2.41 1.01 -0.77 -5.01 121.20 120.58 1s1q s ILE 61 Ca 0.39 1.78 0.05 0.00 0.00 0.00 0.00 60.65 62.88 1s1q s ILE 61 Cb -0.18 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.19 1s1q s ILE 61 CO 0.49 -0.16 0.44 0.00 0.00 0.00 0.00 174.94 175.71 1s1q n GLN 62 N 6.47 0.77 -2.03 2.79 6.02 -1.26 -4.69 117.38 125.45 1s1q n GLN 62 Ca 0.13 -2.77 -0.38 0.00 -0.01 0.00 0.00 57.00 53.97 1s1q n GLN 62 Cb 0.45 0.15 0.01 0.00 1.02 0.00 0.00 30.24 31.87 1s1q n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1s1q s LYS 63 N -3.96 3.65 0.00 -1.09 -2.85 -1.26 -2.59 119.74 111.64 1s1q s LYS 63 Ca 0.33 2.06 0.00 0.00 -1.00 0.00 0.00 55.97 57.36 1s1q s LYS 63 Cb -0.03 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 1s1q s LYS 63 CO 0.21 -0.73 0.00 0.39 0.10 0.00 0.00 175.35 175.33 1s1q n GLU 64 N -0.42 -0.78 -1.40 1.78 -0.58 0.08 -5.00 120.64 114.33 1s1q n GLU 64 Ca 0.07 0.19 -0.33 0.00 -0.42 0.00 0.00 57.16 56.67 1s1q n GLU 64 Cb 0.45 -3.78 0.09 0.00 -0.57 0.00 0.00 31.44 27.64 1s1q n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1s1q s SER 65 N -2.01 4.24 -0.16 1.62 0.01 -1.07 -4.70 113.70 111.63 1s1q s SER 65 Ca 0.00 2.23 -0.01 0.00 1.31 0.00 0.00 55.95 59.48 1s1q s SER 65 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1s1q s SER 65 CO 0.00 -2.22 -0.11 -0.89 0.41 0.00 0.00 173.24 170.42 1s1q s THR 66 N -2.19 3.03 0.09 1.44 2.01 -1.26 -0.94 115.64 117.82 1s1q s THR 66 Ca 0.71 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 62.06 1s1q s THR 66 Cb -0.26 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1s1q s THR 66 CO 0.47 0.50 0.26 -0.76 -0.69 0.00 0.00 174.62 174.39 1s1q s LEU 67 N 0.79 4.33 -0.14 4.42 1.43 0.18 -4.83 118.68 124.87 1s1q s LEU 67 Ca -0.04 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1s1q s LEU 67 Cb -0.15 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1s1q s LEU 67 CO 0.01 0.12 -0.08 -1.00 0.23 0.00 0.00 176.35 175.64 1s1q s HIS 68 N -1.59 2.94 -0.22 0.29 3.76 -0.16 -0.80 115.29 119.50 1s1q s HIS 68 Ca 0.36 -0.41 -0.07 0.00 -0.15 0.00 0.00 55.06 54.78 1s1q s HIS 68 Cb -0.12 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 1s1q s HIS 68 CO 0.28 -0.08 0.07 -1.17 -0.85 0.00 0.00 174.74 172.98 1s1q s LEU 69 N 0.29 3.56 -0.11 0.89 2.96 0.85 -0.67 118.68 126.44 1s1q s LEU 69 Ca -0.06 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1s1q s LEU 69 Cb -0.15 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1s1q s LEU 69 CO 0.04 0.04 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.20 1s1q s VAL 70 N 1.15 1.98 0.33 1.68 1.01 -0.24 -4.38 120.40 121.93 1s1q s VAL 70 Ca 0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1s1q s VAL 70 Cb -0.14 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.44 1s1q s VAL 70 CO 0.03 0.54 0.68 -0.76 0.00 0.00 0.00 175.10 175.59 1s1q s LEU 71 N 0.59 3.98 0.43 3.92 1.43 -1.26 -1.11 118.68 126.66 1s1q s LEU 71 Ca -0.13 1.03 -0.24 0.00 -1.03 0.00 0.00 54.13 53.76 1s1q s LEU 71 Cb -0.17 -3.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.11 1s1q s LEU 71 CO 0.04 -0.26 1.22 -0.60 0.23 0.00 0.00 176.35 176.97 1s1q s ARG 72 N -3.44 3.87 0.13 1.70 3.52 0.52 -4.92 118.95 120.34 1s1q s ARG 72 Ca 0.50 1.94 -0.12 0.00 -0.13 0.00 0.00 55.73 57.91 1s1q s ARG 72 Cb -0.11 -2.58 -0.05 0.00 -1.56 0.00 0.00 34.95 30.65 1s1q s ARG 72 CO 0.27 -0.51 1.47 -0.07 -0.81 0.00 0.00 175.30 175.65 1s1q h LEU 73 N 2.38 0.94 -9.28 -0.88 4.07 -1.96 -3.40 115.31 107.18 1s1q h LEU 73 Ca -0.49 -0.46 -0.55 0.00 0.08 0.00 0.00 57.88 56.45 1s1q h LEU 73 Cb 1.25 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.70 1s1q h LEU 73 CO 0.61 1.21 0.77 -0.60 -1.08 0.00 0.00 178.44 179.35 1s1q s ARG 74 N -4.42 4.31 0.00 1.13 3.52 -1.26 -5.05 118.95 117.18 1s1q s ARG 74 Ca -0.11 1.72 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 1s1q s ARG 74 Cb 0.11 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 1s1q s ARG 74 CO 0.87 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 175.24 1s1q n GLY 75 N 3.47 -0.60 0.00 8.12 0.00 -1.26 -4.97 105.19 109.95 1s1q n GLY 75 Ca 0.12 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.69 1s1q n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93