#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5z n ASN 7 N 0.00 3.08 -0.18 6.55 3.02 -1.26 -3.36 115.26 123.12 1s5z n ASN 7 Ca 0.00 -2.29 0.02 0.00 -0.03 0.00 0.00 54.58 52.28 1s5z n ASN 7 Cb 0.00 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 38.64 1s5z n ASN 7 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s5z n LYS 8 N 0.20 0.93 -1.81 3.52 4.76 -1.26 -4.03 118.16 120.47 1s5z n LYS 8 Ca 0.11 -1.12 -0.37 0.00 -2.87 0.00 0.00 58.31 54.05 1s5z n LYS 8 Cb 0.70 -1.08 0.05 0.00 -1.84 0.00 0.00 35.03 32.86 1s5z n LYS 8 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1s5z s GLU 9 N -0.60 2.86 0.05 1.97 2.12 -1.21 -4.71 118.70 119.18 1s5z s GLU 9 Ca 0.06 2.08 0.03 0.00 0.36 0.00 0.00 54.97 57.49 1s5z s GLU 9 Cb 0.04 -2.02 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 1s5z s GLU 9 CO 0.05 -1.37 -0.08 1.03 -0.54 0.00 0.00 175.26 174.35 1s5z s ARG 10 N -3.18 0.59 0.07 4.30 0.52 -1.26 -1.22 118.95 118.77 1s5z s ARG 10 Ca 0.77 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 1s5z s ARG 10 Cb -0.37 -0.35 -0.03 0.00 0.52 0.00 0.00 34.95 34.72 1s5z s ARG 10 CO 0.41 0.06 -0.08 -0.08 0.02 0.00 0.00 175.30 175.63 1s5z s THR 11 N -1.58 0.69 -0.23 0.02 -1.32 -0.81 -4.73 115.64 107.68 1s5z s THR 11 Ca -0.07 -1.46 -0.10 0.00 -1.21 0.00 0.00 61.69 58.86 1s5z s THR 11 Cb -0.09 -1.10 -0.05 0.00 -1.51 0.00 0.00 72.50 69.76 1s5z s THR 11 CO 0.00 -0.55 0.13 0.12 -2.21 0.00 0.00 174.62 172.11 1s5z s PHE 12 N -2.25 3.30 0.06 9.09 5.36 -1.26 -2.32 117.98 129.96 1s5z s PHE 12 Ca -0.00 0.17 0.08 0.00 -0.96 0.00 0.00 56.93 56.21 1s5z s PHE 12 Cb -0.04 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.39 1s5z s PHE 12 CO -0.01 0.08 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.11 1s5z s LEU 13 N 0.90 2.21 -0.08 6.12 1.43 -0.44 -1.69 118.68 127.13 1s5z s LEU 13 Ca 0.07 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1s5z s LEU 13 Cb -0.13 -0.93 0.04 0.00 0.03 0.00 0.00 46.19 45.20 1s5z s LEU 13 CO 0.03 0.12 0.18 0.00 0.23 0.00 0.00 176.35 176.91 1s5z s ALA 14 N -0.93 -0.36 -0.37 4.21 0.00 -0.34 -0.00 121.76 123.97 1s5z s ALA 14 Ca 0.07 0.78 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 1s5z s ALA 14 Cb -0.09 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1s5z s ALA 14 CO 0.03 -0.22 0.84 0.08 0.00 0.00 0.00 175.76 176.49 1s5z s VAL 15 N 1.33 4.67 1.03 0.00 1.01 -0.25 -0.61 120.40 127.57 1s5z s VAL 15 Ca -0.08 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 62.73 1s5z s VAL 15 Cb -0.11 -4.27 0.21 0.00 0.00 0.00 0.00 36.38 32.21 1s5z s VAL 15 CO -0.07 -0.50 1.07 -0.54 0.00 0.00 0.00 175.10 175.06 1s5z s LYS 16 N 3.26 0.15 0.33 2.72 1.02 -0.41 -2.08 119.74 124.73 1s5z s LYS 16 Ca 0.34 0.71 0.12 0.00 0.02 0.00 0.00 55.97 57.16 1s5z s LYS 16 Cb -0.13 -1.69 0.99 0.00 -0.52 0.00 0.00 37.83 36.49 1s5z s LYS 16 CO 0.18 -2.97 1.70 -1.35 -0.92 0.00 0.00 175.35 171.99 1s5z h PRO 17 N -2.07 0.44 -0.24 -1.68 0.11 -1.85 0.39 132.00 127.11 1s5z h PRO 17 Ca -0.55 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.45 1s5z h PRO 17 Cb 1.32 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1s5z h PRO 17 CO 0.54 0.29 -0.14 0.38 -0.21 0.00 0.00 178.00 178.86 1s5z h ASP 18 N 0.46 0.54 -0.92 -2.05 2.03 -1.88 0.33 116.42 114.93 1s5z h ASP 18 Ca 0.69 -0.43 0.02 0.00 -0.73 0.00 0.00 57.03 56.58 1s5z h ASP 18 Cb 1.45 -0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 39.75 1s5z h ASP 18 CO -0.53 0.85 0.61 1.23 -1.03 0.00 0.00 179.24 180.37 1s5z h GLY 19 N 0.23 1.30 1.00 7.15 0.00 -1.13 -0.18 103.07 111.44 1s5z h GLY 19 Ca 0.05 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 1s5z h GLY 19 CO 0.04 0.46 -0.47 -2.08 0.00 0.00 0.00 176.54 174.49 1s5z h VAL 20 N 1.23 1.31 0.00 4.60 2.07 -1.00 -1.84 116.25 122.63 1s5z h VAL 20 Ca 0.34 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.11 1s5z h VAL 20 Cb -0.11 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1s5z h VAL 20 CO -0.08 0.53 -0.29 0.00 0.02 0.00 0.00 177.57 177.75 1s5z h ALA 21 N 0.60 1.47 -0.16 1.67 0.00 -0.45 -2.62 119.26 119.77 1s5z h ALA 21 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1s5z h ALA 21 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1s5z h ALA 21 CO 0.10 0.36 0.00 0.54 0.00 0.00 0.00 179.25 180.25 1s5z n ARG 22 N -4.12 1.69 -2.98 0.00 1.74 -0.12 -4.95 116.66 107.91 1s5z n ARG 22 Ca -0.02 -1.03 -0.12 0.00 -0.77 0.00 0.00 57.85 55.91 1s5z n ARG 22 Cb 0.34 -1.38 0.04 0.00 -1.02 0.00 0.00 32.46 30.44 1s5z n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s5z n GLY 23 N 1.10 0.12 0.67 -0.13 0.00 -0.99 -4.97 105.19 101.00 1s5z n GLY 23 Ca 0.16 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1s5z n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s5z n LEU 24 N -2.82 2.90 0.20 0.99 4.77 -0.70 -4.68 117.00 117.66 1s5z n LEU 24 Ca -0.04 -1.88 -0.15 0.00 -0.03 0.00 0.00 56.01 53.91 1s5z n LEU 24 Cb 0.55 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1s5z n LEU 24 CO 0.34 0.71 0.76 0.58 -1.33 0.00 0.00 177.39 178.44 1s5z h VAL 25 N 2.24 0.68 -0.78 4.08 2.07 -1.89 -1.84 116.25 120.81 1s5z h VAL 25 Ca 0.00 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1s5z h VAL 25 Cb 0.72 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1s5z h VAL 25 CO 0.00 0.00 0.37 1.23 0.02 0.00 0.00 177.57 179.20 1s5z h GLY 26 N -0.45 1.20 0.76 2.17 0.00 -1.97 -1.21 103.07 103.57 1s5z h GLY 26 Ca -0.05 -0.60 0.04 0.00 0.00 0.00 0.00 47.33 46.72 1s5z h GLY 26 CO 0.07 0.57 0.23 -2.09 0.00 0.00 0.00 176.54 175.32 1s5z h GLU 27 N 1.10 0.45 0.07 4.80 4.57 -1.83 -0.43 114.58 123.31 1s5z h GLU 27 Ca 0.27 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1s5z h GLU 27 Cb 0.12 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1s5z h GLU 27 CO -0.03 0.29 -0.04 0.82 -1.18 0.00 0.00 179.01 178.88 1s5z h ILE 28 N 0.46 1.15 -0.85 2.32 2.04 -1.05 -2.49 117.51 119.09 1s5z h ILE 28 Ca 0.20 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.30 1s5z h ILE 28 Cb 0.11 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 1s5z h ILE 28 CO -0.14 0.21 0.51 0.40 0.00 0.00 0.00 178.15 179.13 1s5z h ILE 29 N -0.48 0.99 -0.66 -0.67 2.04 -1.14 -2.20 117.51 115.39 1s5z h ILE 29 Ca -0.01 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1s5z h ILE 29 Cb 0.41 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1s5z h ILE 29 CO 0.02 0.17 0.41 0.00 0.00 0.00 0.00 178.15 178.74 1s5z h ALA 30 N 1.43 0.85 -0.79 1.87 0.00 -1.04 -1.09 119.26 120.48 1s5z h ALA 30 Ca 0.39 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.31 1s5z h ALA 30 Cb 0.25 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1s5z h ALA 30 CO -0.20 0.32 0.45 0.00 0.00 0.00 0.00 179.25 179.81 1s5z h ARG 31 N 0.90 0.75 -0.05 0.00 3.08 -0.92 0.12 114.38 118.25 1s5z h ARG 31 Ca 0.24 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.09 1s5z h ARG 31 Cb -0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1s5z h ARG 31 CO -0.05 0.49 -0.66 1.88 -1.07 0.00 0.00 179.97 180.57 1s5z h TYR 32 N 0.77 0.28 -0.20 3.04 0.05 -1.19 -2.15 116.97 117.57 1s5z h TYR 32 Ca 0.38 -0.12 -0.11 0.00 0.05 0.00 0.00 58.73 58.93 1s5z h TYR 32 Cb 0.32 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 1s5z h TYR 32 CO -0.07 0.80 -0.31 0.93 -1.05 0.00 0.00 178.16 178.47 1s5z h GLU 33 N 0.15 0.56 -0.48 4.88 5.08 -0.48 -2.52 114.58 121.75 1s5z h GLU 33 Ca -0.01 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1s5z h GLU 33 Cb 1.18 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1s5z h GLU 33 CO 0.10 0.94 0.21 0.87 -1.00 0.00 0.00 179.01 180.13 1s5z h LYS 34 N 0.23 0.68 -0.61 2.33 1.57 -0.78 -2.18 116.57 117.81 1s5z h LYS 34 Ca 0.02 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1s5z h LYS 34 Cb 0.89 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1s5z h LYS 34 CO 0.07 0.55 0.30 -0.22 -0.57 0.00 0.00 179.45 179.58 1s5z h LYS 35 N 0.68 0.86 0.00 3.15 1.63 -1.32 -3.46 116.57 118.11 1s5z h LYS 35 Ca 0.17 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1s5z h LYS 35 Cb 0.11 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1s5z h LYS 35 CO -0.02 0.66 0.00 0.41 -3.45 0.00 0.00 179.45 177.05 1s5z n GLY 36 N -1.17 1.44 3.87 5.01 0.00 -0.82 -5.11 105.19 108.41 1s5z n GLY 36 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1s5z n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s5z s PHE 37 N -2.00 3.42 -0.17 1.61 0.08 -0.96 -4.94 117.98 115.02 1s5z s PHE 37 Ca 0.00 0.93 -0.07 0.00 0.12 0.00 0.00 56.93 57.91 1s5z s PHE 37 Cb 0.00 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 1s5z s PHE 37 CO 0.00 0.25 0.07 0.08 -0.10 0.00 0.00 175.22 175.52 1s5z s VAL 38 N -1.83 4.89 -0.30 -0.44 1.01 -0.24 -4.40 120.40 119.10 1s5z s VAL 38 Ca 0.48 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 1s5z s VAL 38 Cb -0.11 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1s5z s VAL 38 CO 0.21 0.49 1.30 -0.22 0.00 0.00 0.00 175.10 176.88 1s5z s LEU 39 N 0.10 3.88 0.00 3.92 2.96 -1.26 0.06 118.68 128.33 1s5z s LEU 39 Ca 0.06 1.20 0.07 0.00 -0.22 0.00 0.00 54.13 55.24 1s5z s LEU 39 Cb -0.12 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.10 1s5z s LEU 39 CO 0.00 -1.08 0.76 1.33 -1.32 0.00 0.00 176.35 176.04 1s5z n VAL 40 N 6.22 0.07 -3.63 1.68 0.24 0.90 -4.94 118.33 118.86 1s5z n VAL 40 Ca 0.15 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.34 61.79 1s5z n VAL 40 Cb 0.47 1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.88 1s5z n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1s5z s GLY 41 N -0.64 -0.49 -0.28 7.63 0.00 -1.14 -0.94 107.32 111.47 1s5z s GLY 41 Ca 0.09 2.15 -0.21 0.00 0.00 0.00 0.00 44.72 46.76 1s5z s GLY 41 CO 0.09 1.82 0.84 -2.27 0.00 0.00 0.00 173.10 173.58 1s5z s LEU 42 N 0.46 -0.68 -0.26 0.66 2.96 -1.26 -1.40 118.68 119.16 1s5z s LEU 42 Ca -0.00 1.19 -0.28 0.00 -0.22 0.00 0.00 54.13 54.81 1s5z s LEU 42 Cb -0.05 2.15 0.17 0.00 0.50 0.00 0.00 46.19 48.96 1s5z s LEU 42 CO -0.02 -0.20 1.28 -1.59 -1.32 0.00 0.00 176.35 174.50 1s5z s LYS 43 N 0.88 0.20 -0.06 1.98 -2.85 -0.73 -5.02 119.74 114.14 1s5z s LYS 43 Ca -0.04 0.10 -0.04 0.00 -1.00 0.00 0.00 55.97 54.99 1s5z s LYS 43 Cb -0.05 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.78 1s5z s LYS 43 CO -0.10 -0.05 0.11 -1.14 0.10 0.00 0.00 175.35 174.27 1s5z s GLN 44 N -0.72 3.28 0.15 1.78 0.74 -1.26 -0.95 119.66 122.68 1s5z s GLN 44 Ca 0.06 -0.30 -0.24 0.00 0.05 0.00 0.00 55.36 54.93 1s5z s GLN 44 Cb -0.02 -3.03 0.07 0.00 1.10 0.00 0.00 33.01 31.13 1s5z s GLN 44 CO -0.07 0.71 0.70 -0.48 -0.55 0.00 0.00 175.29 175.60 1s5z s LEU 45 N -1.37 -0.45 -0.44 3.68 2.34 -0.39 -4.96 118.68 117.09 1s5z s LEU 45 Ca 0.19 -0.13 -0.12 0.00 0.06 0.00 0.00 54.13 54.13 1s5z s LEU 45 Cb -0.12 2.49 0.07 0.00 -0.56 0.00 0.00 46.19 48.07 1s5z s LEU 45 CO 0.09 -0.96 0.31 -0.69 -1.06 0.00 0.00 176.35 174.04 1s5z s VAL 46 N -3.63 4.68 0.31 1.48 1.01 -1.26 0.21 120.40 123.19 1s5z s VAL 46 Ca 0.04 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 1s5z s VAL 46 Cb -0.02 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.41 1s5z s VAL 46 CO -0.08 -0.52 1.03 -2.65 0.00 0.00 0.00 175.10 172.89 1s5z n PRO 47 N 5.04 1.43 -2.62 2.72 -0.02 -1.26 -5.00 135.00 135.30 1s5z n PRO 47 Ca -0.11 0.50 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 1s5z n PRO 47 Cb 0.43 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1s5z n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1s5z s THR 48 N -1.09 3.79 0.22 3.45 -1.32 -1.26 -4.49 115.64 114.94 1s5z s THR 48 Ca 0.59 -0.18 -0.09 0.00 -1.21 0.00 0.00 61.69 60.79 1s5z s THR 48 Cb -0.67 -3.46 0.18 0.00 -1.51 0.00 0.00 72.50 67.03 1s5z s THR 48 CO 0.60 -0.42 1.86 0.50 -2.21 0.00 0.00 174.62 174.95 1s5z h LYS 49 N 0.04 1.11 -0.54 7.08 3.64 -1.94 -0.98 116.57 124.99 1s5z h LYS 49 Ca -0.46 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 58.71 1s5z h LYS 49 Cb 1.25 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1s5z h LYS 49 CO 0.59 0.78 -0.10 0.38 -2.27 0.00 0.00 179.45 178.84 1s5z h ASP 50 N 1.12 1.02 -0.48 4.20 2.03 -1.99 -1.46 116.42 120.85 1s5z h ASP 50 Ca 0.29 -0.35 -0.02 0.00 -0.73 0.00 0.00 57.03 56.22 1s5z h ASP 50 Cb -0.04 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.16 1s5z h ASP 50 CO -0.05 1.13 0.21 0.25 -1.03 0.00 0.00 179.24 179.74 1s5z h LEU 51 N 0.89 0.65 -0.11 0.15 5.85 -1.89 -0.82 115.31 120.04 1s5z h LEU 51 Ca 0.14 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1s5z h LEU 51 Cb 0.67 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1s5z h LEU 51 CO 0.05 0.63 0.04 0.00 -0.34 0.00 0.00 178.44 178.82 1s5z h ALA 52 N 1.05 0.13 -0.25 1.25 0.00 -1.02 0.38 119.26 120.79 1s5z h ALA 52 Ca 0.16 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1s5z h ALA 52 Cb 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s5z h ALA 52 CO -0.02 -0.41 -0.22 0.93 0.00 0.00 0.00 179.25 179.53 1s5z h GLU 53 N 0.10 0.47 -0.22 0.00 5.08 -1.10 -1.02 114.58 117.89 1s5z h GLU 53 Ca 0.05 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.05 1s5z h GLU 53 Cb 0.02 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1s5z h GLU 53 CO -0.05 0.66 -0.63 0.77 -1.00 0.00 0.00 179.01 178.77 1s5z h SER 54 N 0.42 0.93 -0.60 1.42 0.02 -0.94 -0.79 113.55 114.00 1s5z h SER 54 Ca 0.07 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1s5z h SER 54 Cb 0.62 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1s5z h SER 54 CO 0.04 1.35 0.38 -0.74 -1.14 0.00 0.00 176.83 176.72 1s5z h HIS 55 N 0.56 0.77 -0.81 3.45 -0.00 -0.69 -2.92 115.15 115.51 1s5z h HIS 55 Ca -0.02 0.01 -0.41 0.00 -0.00 0.00 0.00 60.37 59.96 1s5z h HIS 55 Cb 1.25 -0.26 -0.24 0.00 -0.00 0.00 0.00 27.41 28.16 1s5z h HIS 55 CO 0.08 0.50 0.44 0.66 -0.00 0.00 0.00 177.93 179.61 1s5z n TYR 56 N -4.65 2.51 -0.27 5.26 4.01 -0.41 -4.69 117.16 118.93 1s5z n TYR 56 Ca 0.04 -1.73 0.24 0.00 -0.16 0.00 0.00 57.90 56.29 1s5z n TYR 56 Cb 0.03 -0.81 0.58 0.00 -0.31 0.00 0.00 39.34 38.84 1s5z n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5z h ALA 57 N 1.14 2.46 0.00 -0.72 0.00 -0.93 0.13 119.26 121.34 1s5z h ALA 57 Ca 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1s5z h ALA 57 Cb 2.52 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.34 1s5z h ALA 57 CO 0.89 -0.79 -0.01 0.93 0.00 0.00 0.00 179.25 180.27 1s5z h GLU 58 N 0.27 0.00 -0.02 0.00 5.08 -1.87 -2.63 114.58 115.42 1s5z h GLU 58 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1s5z h GLU 58 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1s5z h GLU 58 CO -0.16 0.01 -0.10 0.72 -1.00 0.00 0.00 179.01 178.48 1s5z n HIS 59 N -3.52 0.00 -0.05 4.33 8.25 0.03 -4.66 115.22 119.60 1s5z n HIS 59 Ca -0.03 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.68 1s5z n HIS 59 Cb 0.10 0.00 0.62 0.00 1.12 0.00 0.00 29.99 31.83 1s5z n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1s5z h LYS 60 N 2.98 0.00 0.00 -0.41 2.10 -1.42 0.36 116.57 120.18 1s5z h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1s5z h LYS 60 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1s5z h LYS 60 CO 0.00 0.00 -0.51 -1.91 -2.00 0.00 0.00 179.45 175.03 1s5z n GLU 61 N -3.50 0.14 -2.71 0.07 4.07 -1.26 -4.88 120.64 112.57 1s5z n GLU 61 Ca 0.15 0.04 -0.34 0.00 -0.06 0.00 0.00 57.16 56.95 1s5z n GLU 61 Cb 1.03 -1.59 -0.06 0.00 -0.06 0.00 0.00 31.44 30.76 1s5z n GLU 61 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1s5z s ARG 62 N -3.08 4.12 0.53 5.31 0.52 0.13 -4.97 118.95 121.51 1s5z s ARG 62 Ca 0.09 1.24 0.18 0.00 -0.52 0.00 0.00 55.73 56.72 1s5z s ARG 62 Cb 0.16 -2.24 1.32 0.00 0.52 0.00 0.00 34.95 34.71 1s5z s ARG 62 CO 0.69 -0.13 2.15 -1.35 0.02 0.00 0.00 175.30 176.68 1s5z h PRO 63 N 1.96 0.00 -0.24 3.54 0.11 -1.91 -2.24 132.00 133.21 1s5z h PRO 63 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s5z h PRO 63 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1s5z h PRO 63 CO 0.61 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.37 1s5z n PHE 64 N -4.48 0.31 -0.04 0.65 -1.74 -1.26 -4.36 117.46 106.54 1s5z n PHE 64 Ca -0.02 -0.16 -0.08 0.00 -0.56 0.00 0.00 57.45 56.63 1s5z n PHE 64 Cb 0.13 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.10 1s5z n PHE 64 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 1s5z h PHE 65 N 2.56 -0.03 -0.27 2.97 3.57 -1.64 -0.87 116.94 123.23 1s5z h PHE 65 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1s5z h PHE 65 Cb 0.57 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1s5z h PHE 65 CO 0.16 -0.04 -0.12 0.78 -2.23 0.00 0.00 178.31 176.86 1s5z h GLY 66 N 0.05 0.11 1.92 2.40 0.00 -1.81 -0.12 103.07 105.63 1s5z h GLY 66 Ca 0.10 0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 1s5z h GLY 66 CO -0.17 -0.14 -0.23 -1.33 0.00 0.00 0.00 176.54 174.67 1s5z h GLY 67 N -0.08 0.10 0.77 4.60 0.00 -1.80 -1.09 103.07 105.57 1s5z h GLY 67 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1s5z h GLY 67 CO -0.32 0.06 0.01 -2.00 0.00 0.00 0.00 176.54 174.29 1s5z h LEU 68 N 0.09 0.19 -0.37 3.11 6.46 -0.07 -1.17 115.31 123.54 1s5z h LEU 68 Ca 0.01 -0.29 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1s5z h LEU 68 Cb 0.46 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1s5z h LEU 68 CO 0.03 0.43 0.10 0.58 -0.62 0.00 0.00 178.44 178.96 1s5z h VAL 69 N -0.06 1.22 -0.44 1.05 2.07 -0.81 -1.91 116.25 117.37 1s5z h VAL 69 Ca 0.03 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1s5z h VAL 69 Cb 0.33 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1s5z h VAL 69 CO 0.00 0.26 0.20 0.28 0.02 0.00 0.00 177.57 178.33 1s5z h SER 70 N 0.46 0.26 -0.35 0.57 0.02 -1.13 -2.54 113.55 110.84 1s5z h SER 70 Ca 0.12 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 1s5z h SER 70 Cb 0.29 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1s5z h SER 70 CO -0.00 0.19 -0.20 0.15 -1.14 0.00 0.00 176.83 175.83 1s5z h PHE 71 N 0.40 0.87 0.00 3.45 3.57 -1.10 -2.29 116.94 121.83 1s5z h PHE 71 Ca 0.20 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1s5z h PHE 71 Cb 0.14 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1s5z h PHE 71 CO -0.12 0.96 -0.04 0.97 -2.23 0.00 0.00 178.31 177.85 1s5z h ILE 72 N 0.53 0.20 -0.27 1.41 -0.00 -1.22 -1.73 117.51 116.44 1s5z h ILE 72 Ca 0.07 -0.29 0.00 0.00 -0.00 0.00 0.00 64.86 64.64 1s5z h ILE 72 Cb 0.75 1.24 0.00 0.00 -0.00 0.00 0.00 36.82 38.80 1s5z h ILE 72 CO 0.06 0.03 0.00 0.35 -0.00 0.00 0.00 178.15 178.59 1s5z n THR 73 N -3.29 0.40 0.69 2.19 -2.24 -0.97 -4.29 114.28 106.76 1s5z n THR 73 Ca -0.02 -0.70 0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1s5z n THR 73 Cb 0.18 1.06 0.44 0.00 -2.10 0.00 0.00 70.33 69.91 1s5z n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s5z n SER 74 N 1.22 0.68 -3.26 3.42 3.41 -0.65 -4.77 113.62 113.68 1s5z n SER 74 Ca 0.15 0.56 -0.05 0.00 -0.26 0.00 0.00 58.87 59.28 1s5z n SER 74 Cb 0.53 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.76 1s5z n SER 74 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1s5z s GLY 75 N -3.48 0.18 0.56 5.00 0.00 -1.26 -5.11 107.32 103.21 1s5z s GLY 75 Ca 0.11 -0.44 -0.21 0.00 0.00 0.00 0.00 44.72 44.19 1s5z s GLY 75 CO 0.59 1.77 1.29 -1.55 0.00 0.00 0.00 173.10 175.20 1s5z n PRO 76 N -0.66 1.50 -4.45 2.90 -0.04 -1.26 -4.41 135.00 128.58 1s5z n PRO 76 Ca -0.04 0.56 -0.21 0.00 -0.04 0.00 0.00 63.50 63.77 1s5z n PRO 76 Cb 0.60 -2.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.41 1s5z n PRO 76 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s5z s VAL 77 N -1.33 1.06 -0.40 0.52 1.01 0.13 -3.75 120.40 117.65 1s5z s VAL 77 Ca 0.74 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 1s5z s VAL 77 Cb -0.42 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.10 1s5z s VAL 77 CO 0.48 0.12 0.22 -0.69 0.00 0.00 0.00 175.10 175.23 1s5z s VAL 78 N -0.62 4.10 0.08 2.92 1.01 -0.89 -1.26 120.40 125.74 1s5z s VAL 78 Ca 0.03 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.43 1s5z s VAL 78 Cb -0.07 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 1s5z s VAL 78 CO 0.00 -0.44 0.66 0.00 0.00 0.00 0.00 175.10 175.32 1s5z s ALA 79 N 1.41 3.50 0.06 5.51 0.00 -0.12 -1.09 121.76 131.03 1s5z s ALA 79 Ca 0.02 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 1s5z s ALA 79 Cb -0.22 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1s5z s ALA 79 CO 0.02 0.27 0.05 -1.64 0.00 0.00 0.00 175.76 174.47 1s5z s MET 80 N -0.78 0.68 -0.07 0.00 -1.94 1.00 -1.78 119.30 116.41 1s5z s MET 80 Ca 0.33 -1.08 -0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1s5z s MET 80 Cb -0.20 0.25 0.03 0.00 2.01 0.00 0.00 34.83 36.92 1s5z s MET 80 CO 0.21 -0.16 0.01 0.08 -0.01 0.00 0.00 175.02 175.15 1s5z s VAL 81 N -3.74 0.33 0.01 -6.03 1.01 -0.49 -1.33 120.40 110.16 1s5z s VAL 81 Ca 0.05 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1s5z s VAL 81 Cb 0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1s5z s VAL 81 CO -0.10 0.25 -0.09 -0.36 0.00 0.00 0.00 175.10 174.80 1s5z s PHE 82 N 1.99 2.83 0.00 5.22 0.08 -0.98 -0.07 117.98 127.05 1s5z s PHE 82 Ca 0.05 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.10 1s5z s PHE 82 Cb -0.12 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1s5z s PHE 82 CO -0.05 0.35 -0.24 -2.00 -0.10 0.00 0.00 175.22 173.19 1s5z s GLU 83 N -1.45 1.81 0.00 0.44 2.12 0.11 -1.93 118.70 119.79 1s5z s GLU 83 Ca 0.17 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1s5z s GLU 83 Cb -0.11 -1.83 0.00 0.00 0.26 0.00 0.00 34.13 32.45 1s5z s GLU 83 CO 0.07 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1s5z n GLY 84 N 2.25 2.43 3.71 -1.50 0.00 -0.36 -1.07 105.19 110.64 1s5z n GLY 84 Ca -0.16 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1s5z n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s5z n LYS 85 N -0.90 2.53 -2.30 1.61 4.81 -1.26 -2.33 118.16 120.31 1s5z n LYS 85 Ca 0.00 0.91 -0.10 0.00 -0.87 0.00 0.00 58.31 58.25 1s5z n LYS 85 Cb 0.00 -2.70 -0.01 0.00 0.02 0.00 0.00 35.03 32.34 1s5z n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s5z n GLY 86 N 3.24 -0.32 0.33 3.14 0.00 -1.26 -4.85 105.19 105.47 1s5z n GLY 86 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1s5z n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s5z h VAL 87 N 0.00 1.00 0.75 1.61 3.04 -1.76 -1.83 116.25 119.07 1s5z h VAL 87 Ca -0.23 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.26 1s5z h VAL 87 Cb 1.11 0.51 0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1s5z h VAL 87 CO 0.28 0.08 -0.36 0.58 -1.01 0.00 0.00 177.57 177.14 1s5z h VAL 88 N 0.45 0.21 -0.58 1.51 2.07 -1.86 0.19 116.25 118.24 1s5z h VAL 88 Ca 0.20 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 1s5z h VAL 88 Cb 0.23 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1s5z h VAL 88 CO -0.05 0.01 0.02 0.00 0.02 0.00 0.00 177.57 177.57 1s5z h ALA 89 N -0.89 0.95 -0.06 1.67 0.00 -1.86 -2.68 119.26 116.39 1s5z h ALA 89 Ca -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1s5z h ALA 89 Cb 0.79 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s5z h ALA 89 CO 0.17 0.64 0.03 1.03 0.00 0.00 0.00 179.25 181.12 1s5z h SER 90 N 0.91 0.07 -0.72 0.00 0.87 -1.28 -1.53 113.55 111.87 1s5z h SER 90 Ca 0.17 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1s5z h SER 90 Cb 0.50 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 1s5z h SER 90 CO 0.02 0.11 0.48 0.00 -0.53 0.00 0.00 176.83 176.91 1s5z h ALA 91 N 0.96 1.66 -0.30 6.23 0.00 -0.56 -0.55 119.26 126.70 1s5z h ALA 91 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1s5z h ALA 91 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s5z h ALA 91 CO -0.00 0.24 -0.30 0.00 0.00 0.00 0.00 179.25 179.19 1s5z h ARG 92 N 0.80 0.64 -0.49 0.00 2.47 -1.11 -1.94 114.38 114.75 1s5z h ARG 92 Ca 0.30 -0.28 -0.11 0.00 -1.26 0.00 0.00 59.98 58.64 1s5z h ARG 92 Cb 0.19 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 1s5z h ARG 92 CO -0.10 0.87 -0.11 1.25 0.56 0.00 0.00 179.97 182.43 1s5z h LEU 93 N 0.55 0.92 -1.37 3.04 5.85 -0.21 -1.51 115.31 122.57 1s5z h LEU 93 Ca 0.07 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1s5z h LEU 93 Cb 0.79 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1s5z h LEU 93 CO 0.06 1.04 -0.19 0.24 -0.34 0.00 0.00 178.44 179.25 1s5z h MET 94 N 0.82 0.00 0.11 1.25 2.86 -0.87 -3.15 114.93 115.95 1s5z h MET 94 Ca 0.13 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 1s5z h MET 94 Cb 0.65 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.32 1s5z h MET 94 CO 0.04 0.19 -0.69 0.82 1.06 0.00 0.00 176.91 178.34 1s5z h ILE 95 N 0.00 1.54 0.00 -1.22 2.04 -0.90 -0.15 117.51 118.82 1s5z h ILE 95 Ca -0.00 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1s5z h ILE 95 Cb 0.62 3.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1s5z h ILE 95 CO 0.03 0.69 0.00 0.61 0.00 0.00 0.00 178.15 179.47 1s5z n GLY 96 N 1.66 0.16 3.43 5.37 0.00 -0.61 -1.37 105.19 113.83 1s5z n GLY 96 Ca -0.14 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 1s5z n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s5z s VAL 97 N 0.00 1.19 0.23 1.61 -7.23 -1.26 -4.71 120.40 110.23 1s5z s VAL 97 Ca 0.00 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.02 1s5z s VAL 97 Cb 0.00 -2.72 0.28 0.00 0.56 0.00 0.00 36.38 34.50 1s5z s VAL 97 CO 0.00 -0.06 1.59 0.74 -0.31 0.00 0.00 175.10 177.06 1s5z h THR 98 N 2.17 0.15 -3.52 5.32 2.02 -1.98 -3.34 112.91 113.73 1s5z h THR 98 Ca -0.40 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.15 1s5z h THR 98 Cb 1.24 0.15 -0.13 0.00 -1.74 0.00 0.00 68.15 67.68 1s5z h THR 98 CO 0.69 0.00 0.40 0.21 0.37 0.00 0.00 175.52 177.18 1s5z s ASN 99 N -5.24 6.39 0.58 4.18 2.47 -1.26 -4.70 114.94 117.35 1s5z s ASN 99 Ca -0.14 -0.20 0.28 0.00 0.42 0.00 0.00 52.86 53.22 1s5z s ASN 99 Cb 0.21 -2.39 1.55 0.00 -1.45 0.00 0.00 41.25 39.16 1s5z s ASN 99 CO 0.74 -0.99 2.01 1.55 -3.72 0.00 0.00 177.10 176.68 1s5z h PRO 100 N 9.06 0.00 0.00 0.43 0.13 -1.85 0.39 132.00 140.16 1s5z h PRO 100 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1s5z h PRO 100 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1s5z h PRO 100 CO 0.99 0.00 -0.30 -0.07 -0.23 0.00 0.00 178.00 178.39 1s5z h LEU 101 N 0.00 0.00 -1.31 1.56 3.38 -1.84 -2.56 115.31 114.54 1s5z h LEU 101 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1s5z h LEU 101 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1s5z h LEU 101 CO -0.00 0.30 -0.15 0.00 0.09 0.00 0.00 178.44 178.68 1s5z n ALA 102 N -2.29 2.83 -2.27 1.53 0.00 0.10 -4.91 120.51 115.49 1s5z n ALA 102 Ca -0.01 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.44 1s5z n ALA 102 Cb 0.44 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 1s5z n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s5z s SER 103 N -2.18 7.47 0.54 0.00 0.01 -0.96 -4.86 113.70 113.72 1s5z s SER 103 Ca 0.27 1.81 -0.20 0.00 1.31 0.00 0.00 55.95 59.15 1s5z s SER 103 Cb 0.20 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1s5z s SER 103 CO 0.40 -0.09 1.14 0.00 0.41 0.00 0.00 173.24 175.10 1s5z s ALA 104 N 0.03 2.69 0.39 1.44 0.00 -1.26 -4.27 121.76 120.79 1s5z s ALA 104 Ca 0.47 0.85 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 1s5z s ALA 104 Cb -0.24 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 1s5z s ALA 104 CO 0.30 -0.81 1.47 -2.14 0.00 0.00 0.00 175.76 174.58 1s5z s PRO 105 N -3.26 4.02 0.00 0.00 0.02 -1.26 -1.91 135.00 132.61 1s5z s PRO 105 Ca 0.73 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.27 1s5z s PRO 105 Cb -0.25 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1s5z s PRO 105 CO 0.28 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1s5z n GLY 106 N 0.50 2.02 3.89 0.52 0.00 -1.26 -4.98 105.19 105.87 1s5z n GLY 106 Ca 0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1s5z n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s5z s SER 107 N -0.02 6.36 0.09 1.61 1.04 -0.80 -4.92 113.70 117.06 1s5z s SER 107 Ca 0.00 1.12 -0.29 0.00 0.48 0.00 0.00 55.95 57.26 1s5z s SER 107 Cb 0.00 -2.33 -0.15 0.00 0.10 0.00 0.00 66.02 63.64 1s5z s SER 107 CO 0.00 -0.57 1.66 0.40 0.98 0.00 0.00 173.24 175.71 1s5z h ILE 108 N 0.46 0.52 -0.15 -1.02 2.04 -0.96 -0.65 117.51 117.75 1s5z h ILE 108 Ca -0.46 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1s5z h ILE 108 Cb 1.20 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1s5z h ILE 108 CO 0.62 0.00 -0.25 0.03 0.00 0.00 0.00 178.15 178.56 1s5z h ARG 109 N -0.57 0.27 -0.80 2.37 3.08 -1.49 -1.50 114.38 115.74 1s5z h ARG 109 Ca -0.04 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1s5z h ARG 109 Cb 0.47 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.46 1s5z h ARG 109 CO 0.04 0.51 0.37 0.78 -1.07 0.00 0.00 179.97 180.60 1s5z h GLY 110 N 0.97 1.24 1.46 0.04 0.00 -1.62 -1.35 103.07 103.80 1s5z h GLY 110 Ca 0.04 -0.62 -0.20 0.00 0.00 0.00 0.00 47.33 46.55 1s5z h GLY 110 CO 0.04 0.59 -1.20 -0.55 0.00 0.00 0.00 176.54 175.42 1s5z h ASP 111 N 1.14 0.00 -0.00 0.19 3.32 -0.82 -3.42 116.42 116.83 1s5z h ASP 111 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1s5z h ASP 111 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1s5z h ASP 111 CO -0.03 0.79 -0.02 0.49 -1.72 0.00 0.00 179.24 178.74 1s5z n PHE 112 N -3.12 0.00 -4.33 4.55 3.72 -0.59 -5.08 117.46 112.60 1s5z n PHE 112 Ca -0.07 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.08 1s5z n PHE 112 Cb 0.90 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.35 1s5z n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1s5z s GLY 113 N -0.96 1.73 0.00 1.37 0.00 -0.51 -4.99 107.32 103.95 1s5z s GLY 113 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1s5z s GLY 113 CO 0.02 -1.67 0.00 1.55 0.00 0.00 0.00 173.10 173.00 1s5z n VAL 114 N -0.39 0.00 -3.82 1.40 3.14 -1.26 -4.35 118.33 113.04 1s5z n VAL 114 Ca -0.08 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.15 1s5z n VAL 114 Cb 0.58 1.79 -0.16 0.00 -1.06 0.00 0.00 33.84 34.99 1s5z n VAL 114 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1s5z s ASP 115 N 0.00 0.11 0.51 6.55 -1.08 -1.26 -4.70 116.67 116.80 1s5z s ASP 115 Ca 0.00 0.02 0.17 0.00 -0.52 0.00 0.00 52.55 52.22 1s5z s ASP 115 Cb 0.00 -0.07 1.27 0.00 -1.46 0.00 0.00 42.92 42.66 1s5z s ASP 115 CO 0.00 -0.09 2.11 1.62 0.52 0.00 0.00 175.17 179.33 1s5z h VAL 116 N 5.99 0.95 -0.00 1.11 3.04 -1.96 -0.18 116.25 125.20 1s5z h VAL 116 Ca -0.40 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1s5z h VAL 116 Cb 1.14 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1s5z h VAL 116 CO 0.49 0.01 -0.04 0.61 -1.01 0.00 0.00 177.57 177.63 1s5z n GLY 117 N -1.56 -1.13 2.21 3.17 0.00 -1.26 -3.69 105.19 102.94 1s5z n GLY 117 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 1s5z n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s5z n ARG 118 N -1.13 0.98 -1.00 1.61 5.12 -0.10 -4.97 116.66 117.17 1s5z n ARG 118 Ca 0.16 -3.39 -0.21 0.00 -1.93 0.00 0.00 57.85 52.48 1s5z n ARG 118 Cb 0.24 -1.58 0.12 0.00 -1.16 0.00 0.00 32.46 30.07 1s5z n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s5z n ASN 119 N 0.61 4.46 0.00 0.55 0.23 -1.08 -4.30 115.26 115.72 1s5z n ASN 119 Ca 0.24 -3.30 0.00 0.00 -0.53 0.00 0.00 54.58 50.99 1s5z n ASN 119 Cb 0.61 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 1s5z n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1s5z n ILE 120 N -0.67 0.00 -3.77 1.53 2.08 -1.26 -4.78 119.36 112.49 1s5z n ILE 120 Ca 0.47 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.68 1s5z n ILE 120 Cb 1.22 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 40.04 1s5z n ILE 120 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 1s5z s ILE 121 N 0.00 0.11 0.00 1.39 2.07 -1.26 -1.28 121.20 122.23 1s5z s ILE 121 Ca 0.00 -0.87 0.08 0.00 -1.41 0.00 0.00 60.65 58.45 1s5z s ILE 121 Cb 0.00 -1.17 -0.02 0.00 0.13 0.00 0.00 42.46 41.39 1s5z s ILE 121 CO 0.00 -0.48 -0.24 -2.28 -1.91 0.00 0.00 174.94 170.03 1s5z s HIS 122 N -3.46 2.40 -0.01 3.50 5.65 0.22 -4.92 115.29 118.67 1s5z s HIS 122 Ca 0.01 -0.37 -0.00 0.00 0.25 0.00 0.00 55.06 54.95 1s5z s HIS 122 Cb 0.02 -1.48 0.01 0.00 -1.18 0.00 0.00 32.58 29.96 1s5z s HIS 122 CO -0.09 0.07 0.02 0.20 -0.65 0.00 0.00 174.74 174.29 1s5z s GLY 123 N -0.91 0.04 0.37 1.59 0.00 -1.26 -1.19 107.32 105.96 1s5z s GLY 123 Ca 0.11 0.16 -0.26 0.00 0.00 0.00 0.00 44.72 44.73 1s5z s GLY 123 CO 0.01 0.32 1.14 1.44 0.00 0.00 0.00 173.10 176.01 1s5z n SER 124 N 3.56 1.93 -0.19 1.64 7.64 -0.68 -4.91 113.62 122.61 1s5z n SER 124 Ca -0.19 1.12 0.11 0.00 1.01 0.00 0.00 58.87 60.93 1s5z n SER 124 Cb 0.56 -1.40 0.10 0.00 -1.01 0.00 0.00 64.21 62.45 1s5z n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s5z n ASP 125 N 0.66 1.17 -3.71 6.43 5.75 -1.26 -4.78 116.55 120.81 1s5z n ASP 125 Ca 0.08 -0.95 -0.10 0.00 -0.01 0.00 0.00 54.79 53.81 1s5z n ASP 125 Cb 0.37 0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 40.94 1s5z n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1s5z s SER 126 N -2.75 -0.30 0.24 -1.12 1.04 -1.26 -4.90 113.70 104.64 1s5z s SER 126 Ca 0.15 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 1s5z s SER 126 Cb 0.18 0.60 0.24 0.00 0.10 0.00 0.00 66.02 67.14 1s5z s SER 126 CO 0.68 -1.08 1.78 0.58 0.98 0.00 0.00 173.24 176.18 1s5z h VAL 127 N 2.15 1.25 -0.17 5.02 2.07 -1.93 0.21 116.25 124.84 1s5z h VAL 127 Ca -0.28 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1s5z h VAL 127 Cb 1.27 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1s5z h VAL 127 CO 0.36 0.34 0.04 -0.33 0.02 0.00 0.00 177.57 177.99 1s5z h GLU 128 N 1.00 0.27 -0.73 1.57 3.07 -1.97 -0.70 114.58 117.09 1s5z h GLU 128 Ca 0.22 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.96 1s5z h GLU 128 Cb 0.30 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1s5z h GLU 128 CO -0.01 0.41 0.24 0.77 -1.40 0.00 0.00 179.01 179.03 1s5z h SER 129 N 0.08 1.06 -0.24 1.42 0.02 -1.90 -2.46 113.55 111.53 1s5z h SER 129 Ca 0.05 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1s5z h SER 129 Cb 0.26 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1s5z h SER 129 CO 0.00 0.98 0.11 0.00 -1.14 0.00 0.00 176.83 176.78 1s5z h ALA 130 N 1.12 0.29 -0.85 3.77 0.00 -0.34 0.17 119.26 123.41 1s5z h ALA 130 Ca 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1s5z h ALA 130 Cb 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1s5z h ALA 130 CO -0.01 -0.30 0.49 -0.91 0.00 0.00 0.00 179.25 178.52 1s5z h ASN 131 N 0.23 1.04 -0.14 0.00 2.35 -0.98 0.23 115.58 118.32 1s5z h ASN 131 Ca 0.10 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1s5z h ASN 131 Cb 0.04 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1s5z h ASN 131 CO -0.08 0.82 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.35 1s5z h ARG 132 N 1.19 0.30 -0.62 0.81 2.43 -1.04 -2.43 114.38 115.02 1s5z h ARG 132 Ca 0.30 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1s5z h ARG 132 Cb -0.01 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1s5z h ARG 132 CO -0.05 0.63 0.20 0.93 -1.51 0.00 0.00 179.97 180.17 1s5z h GLU 133 N -0.04 0.96 -0.51 0.20 5.08 -0.34 -1.05 114.58 118.88 1s5z h GLU 133 Ca 0.03 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1s5z h GLU 133 Cb 0.54 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1s5z h GLU 133 CO 0.02 0.84 0.30 0.82 -1.00 0.00 0.00 179.01 179.99 1s5z h ILE 134 N 0.88 1.04 0.00 3.13 1.08 -0.55 -1.29 117.51 121.80 1s5z h ILE 134 Ca 0.20 -0.20 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1s5z h ILE 134 Cb 0.28 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1s5z h ILE 134 CO -0.01 0.11 -0.29 0.00 -0.69 0.00 0.00 178.15 177.27 1s5z h ALA 135 N 1.23 1.30 0.01 1.87 0.00 -1.18 -1.32 119.26 121.17 1s5z h ALA 135 Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s5z h ALA 135 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1s5z h ALA 135 CO -0.10 0.36 -0.00 1.25 0.00 0.00 0.00 179.25 180.76 1s5z h LEU 136 N 0.00 -0.01 0.00 0.00 6.46 -0.33 -3.38 115.31 118.05 1s5z h LEU 136 Ca -0.00 -0.64 -0.11 0.00 -0.12 0.00 0.00 57.88 57.01 1s5z h LEU 136 Cb 0.59 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1s5z h LEU 136 CO 0.04 0.64 -1.00 -0.50 -0.62 0.00 0.00 178.44 177.00 1s5z h TRP 137 N -0.66 0.00 -3.31 1.25 4.06 -1.25 -3.48 115.95 112.56 1s5z h TRP 137 Ca -0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 1s5z h TRP 137 Cb 0.65 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 28.62 1s5z h TRP 137 CO 0.15 0.41 -0.81 -0.06 -3.56 0.00 0.00 178.44 174.57 1s5z s PHE 138 N -3.04 2.08 0.16 0.49 0.08 -0.50 -5.10 117.98 112.15 1s5z s PHE 138 Ca 0.00 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.62 1s5z s PHE 138 Cb 0.08 -1.04 -0.05 0.00 -0.57 0.00 0.00 43.02 41.44 1s5z s PHE 138 CO 0.78 0.41 0.37 0.15 -0.10 0.00 0.00 175.22 176.83 1s5z s LYS 139 N -2.64 3.56 0.29 0.44 1.02 -1.26 -4.57 119.74 116.59 1s5z s LYS 139 Ca 0.17 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.98 1s5z s LYS 139 Cb -0.07 -2.86 0.67 0.00 -0.52 0.00 0.00 37.83 35.05 1s5z s LYS 139 CO 0.08 0.45 1.75 -1.35 -0.92 0.00 0.00 175.35 175.36 1s5z h PRO 140 N 2.50 0.62 0.00 -1.68 0.11 -1.95 -0.38 132.00 131.22 1s5z h PRO 140 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1s5z h PRO 140 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1s5z h PRO 140 CO 0.71 0.41 0.00 0.93 -0.21 0.00 0.00 178.00 179.84 1s5z h GLU 141 N 0.64 0.00 -0.02 1.05 3.07 -2.01 -2.33 114.58 114.98 1s5z h GLU 141 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1s5z h GLU 141 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1s5z h GLU 141 CO -0.41 0.00 -0.02 0.39 -1.40 0.00 0.00 179.01 177.57 1s5z n GLU 142 N -2.45 1.63 -4.71 2.33 1.02 -0.15 -4.87 120.64 113.44 1s5z n GLU 142 Ca 0.00 -0.98 -0.33 0.00 -0.02 0.00 0.00 57.16 55.83 1s5z n GLU 142 Cb 0.15 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 1s5z n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s5z s LEU 143 N -2.04 2.99 0.74 -4.62 1.43 -0.88 -4.52 118.68 111.78 1s5z s LEU 143 Ca 0.36 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 1s5z s LEU 143 Cb 0.21 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.83 1s5z s LEU 143 CO 0.35 0.32 1.18 -0.76 0.23 0.00 0.00 176.35 177.67 1s5z s LEU 144 N -0.58 3.27 0.00 1.79 1.43 -0.11 -4.94 118.68 119.54 1s5z s LEU 144 Ca 0.08 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1s5z s LEU 144 Cb -0.12 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.53 1s5z s LEU 144 CO 0.02 -2.25 0.00 0.41 0.23 0.00 0.00 176.35 174.76 1s5z n THR 145 N -2.86 0.00 -3.74 5.49 -1.04 -1.26 -4.96 114.28 105.91 1s5z n THR 145 Ca 0.13 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.76 1s5z n THR 145 Cb 0.51 -0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.89 1s5z n THR 145 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1s5z s GLU 146 N -1.86 2.60 -0.09 -2.82 4.04 -1.26 -4.97 118.70 114.34 1s5z s GLU 146 Ca 0.00 -1.22 -0.11 0.00 0.04 0.00 0.00 54.97 53.68 1s5z s GLU 146 Cb 0.00 -3.48 -0.04 0.00 0.02 0.00 0.00 34.13 30.63 1s5z s GLU 146 CO 0.00 -0.70 -0.21 0.28 -1.84 0.00 0.00 175.26 172.79 1s5z n VAL 147 N 4.81 1.15 -1.33 1.83 0.31 -1.26 -5.12 118.33 118.71 1s5z n VAL 147 Ca -0.12 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1s5z n VAL 147 Cb 0.44 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1s5z n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1s5z n LYS 148 N -3.87 0.00 -1.65 5.55 5.02 -1.26 -4.97 118.16 116.98 1s5z n LYS 148 Ca -0.08 0.44 -0.49 0.00 -2.02 0.00 0.00 58.31 56.16 1s5z n LYS 148 Cb 0.31 -0.89 -0.05 0.00 -0.02 0.00 0.00 35.03 34.38 1s5z n LYS 148 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1s5z n PRO 149 N 0.11 1.73 -2.75 1.97 -0.02 -1.26 -4.93 135.00 129.85 1s5z n PRO 149 Ca 0.00 0.63 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 1s5z n PRO 149 Cb 0.00 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 1s5z n PRO 149 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1s5z s ASN 150 N 1.47 6.72 0.35 2.55 3.04 -1.26 -4.90 114.94 122.91 1s5z s ASN 150 Ca 0.84 0.65 0.24 0.00 0.04 0.00 0.00 52.86 54.63 1s5z s ASN 150 Cb -0.81 -2.49 1.29 0.00 -1.54 0.00 0.00 41.25 37.70 1s5z s ASN 150 CO 0.45 -0.91 1.73 1.55 -3.04 0.00 0.00 177.10 176.88 1s5z h PRO 151 N 8.49 0.00 0.00 0.43 0.13 -1.92 -0.44 132.00 138.69 1s5z h PRO 151 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1s5z h PRO 151 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1s5z h PRO 151 CO 1.01 0.00 -0.60 -0.91 -0.23 0.00 0.00 178.00 177.27 1s5z h ASN 152 N 0.00 0.00 0.12 1.44 2.35 -2.01 -3.36 115.58 114.12 1s5z h ASN 152 Ca 0.00 -0.02 -0.30 0.00 -0.55 0.00 0.00 56.30 55.43 1s5z h ASN 152 Cb 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 1s5z h ASN 152 CO 0.00 0.01 -2.17 0.18 -1.65 0.00 0.00 177.43 173.80 1s5z n LEU 153 N -2.74 0.19 -4.08 1.61 4.77 -0.21 -4.99 117.00 111.54 1s5z n LEU 153 Ca 0.02 0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 55.90 1s5z n LEU 153 Cb 0.53 0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.84 1s5z n LEU 153 CO 0.37 0.40 -0.44 -0.31 -1.33 0.00 0.00 177.39 176.08 1s5z s TYR 154 N -2.66 0.96 -2.70 -1.77 2.02 -0.97 -5.07 117.35 107.16 1s5z s TYR 154 Ca -0.08 -0.29 0.26 0.00 -0.37 0.00 0.00 57.07 56.59 1s5z s TYR 154 Cb 0.07 -0.59 0.71 0.00 -0.40 0.00 0.00 41.96 41.76 1s5z s TYR 154 CO 0.84 -0.00 1.55 -1.91 -1.57 0.00 0.00 175.55 174.46