#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 0.79 -0.83 6.55 3.02 -1.26 -3.29 115.26 120.25 1s5z n ASN 7 Ca 0.00 -2.00 0.11 0.00 -0.03 0.00 0.00 54.58 52.66 1s5z n ASN 7 Cb 0.00 -0.10 0.08 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.07 1.97 -1.73 3.52 4.76 -1.26 -3.58 118.16 121.76 1s5z n LYS 8 Ca 0.05 -1.70 -0.40 0.00 -2.87 0.00 0.00 58.31 53.39 1s5z n LYS 8 Cb 0.13 -1.42 0.03 0.00 -1.84 0.00 0.00 35.03 31.92 1s5z n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1s5z n GLU 9 N 1.06 1.89 -4.26 1.97 2.13 -1.21 -4.70 120.64 117.53 1s5z n GLU 9 Ca 0.12 0.68 -0.16 0.00 0.66 0.00 0.00 57.16 58.46 1s5z n GLU 9 Cb 0.54 -2.51 -0.10 0.00 0.27 0.00 0.00 31.44 29.64 1s5z n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s5z s ARG 10 N -2.53 1.10 0.04 5.31 0.52 -1.26 -1.19 118.95 120.95 1s5z s ARG 10 Ca 0.65 -1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1s5z s ARG 10 Cb -0.46 -0.79 -0.04 0.00 0.52 0.00 0.00 34.95 34.19 1s5z s ARG 10 CO 0.54 0.12 -0.03 -0.08 0.02 0.00 0.00 175.30 175.88 1s5z s THR 11 N -2.91 0.21 -0.20 0.02 -1.32 -0.68 -4.69 115.64 106.07 1s5z s THR 11 Ca 0.15 -1.59 -0.08 0.00 -1.21 0.00 0.00 61.69 58.96 1s5z s THR 11 Cb -0.00 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 1s5z s THR 11 CO 0.02 -0.87 0.07 0.12 -2.21 0.00 0.00 174.62 171.75 1s5z s PHE 12 N -3.31 3.21 0.01 9.09 5.36 -1.26 -2.50 117.98 128.58 1s5z s PHE 12 Ca 0.02 -0.02 0.05 0.00 -0.96 0.00 0.00 56.93 56.02 1s5z s PHE 12 Cb 0.04 -2.13 -0.02 0.00 -0.34 0.00 0.00 43.02 40.57 1s5z s PHE 12 CO -0.08 0.04 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.04 1s5z s LEU 13 N 0.70 2.09 -0.05 6.12 1.43 -0.19 -1.84 118.68 126.94 1s5z s LEU 13 Ca 0.04 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1s5z s LEU 13 Cb -0.13 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.31 1s5z s LEU 13 CO 0.02 0.15 0.10 0.00 0.23 0.00 0.00 176.35 176.86 1s5z s ALA 14 N -0.58 -0.09 -0.36 4.21 0.00 -0.26 0.02 121.76 124.68 1s5z s ALA 14 Ca 0.06 0.50 -0.27 0.00 0.00 0.00 0.00 51.96 52.25 1s5z s ALA 14 Cb -0.07 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1s5z s ALA 14 CO 0.00 -0.23 0.97 0.08 0.00 0.00 0.00 175.76 176.58 1s5z s VAL 15 N 1.41 4.54 0.93 0.00 1.01 -0.20 -0.53 120.40 127.56 1s5z s VAL 15 Ca -0.06 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.12 1s5z s VAL 15 Cb -0.12 -4.37 0.15 0.00 0.00 0.00 0.00 36.38 32.04 1s5z s VAL 15 CO -0.05 -0.55 1.09 -0.54 0.00 0.00 0.00 175.10 175.05 1s5z s LYS 16 N 3.58 0.95 0.44 2.72 1.02 0.08 -2.24 119.74 126.29 1s5z s LYS 16 Ca 0.40 0.66 0.27 0.00 0.02 0.00 0.00 55.97 57.33 1s5z s LYS 16 Cb -0.12 -1.79 1.33 0.00 -0.52 0.00 0.00 37.83 36.74 1s5z s LYS 16 CO 0.19 -2.41 1.70 -1.35 -0.92 0.00 0.00 175.35 172.55 1s5z h PRO 17 N -1.67 0.18 -0.22 -1.68 0.11 -1.86 0.20 132.00 127.07 1s5z h PRO 17 Ca -0.51 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 1s5z h PRO 17 Cb 1.30 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1s5z h PRO 17 CO 0.56 0.12 -0.58 0.38 -0.21 0.00 0.00 178.00 178.28 1s5z h ASP 18 N 0.19 0.78 -0.56 -2.05 -0.00 -1.89 -0.62 116.42 112.27 1s5z h ASP 18 Ca 0.71 -0.43 -0.11 0.00 -0.00 0.00 0.00 57.03 57.21 1s5z h ASP 18 Cb 2.19 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 41.27 1s5z h ASP 18 CO -0.31 1.19 -0.06 1.23 -0.00 0.00 0.00 179.24 181.28 1s5z h GLY 19 N 0.89 1.11 0.95 7.15 0.00 -0.77 -1.20 103.07 111.20 1s5z h GLY 19 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 47.33 46.35 1s5z h GLY 19 CO 0.12 0.80 -0.28 -2.08 0.00 0.00 0.00 176.54 175.09 1s5z h VAL 20 N 0.91 1.31 0.00 4.60 2.07 -1.31 -1.61 116.25 122.21 1s5z h VAL 20 Ca 0.15 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1s5z h VAL 20 Cb 0.63 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1s5z h VAL 20 CO 0.04 0.46 -0.16 0.00 0.02 0.00 0.00 177.57 177.94 1s5z h ALA 21 N 0.69 1.73 -0.15 1.67 0.00 -0.99 -2.47 119.26 119.74 1s5z h ALA 21 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1s5z h ALA 21 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1s5z h ALA 21 CO 0.07 0.20 0.00 0.54 0.00 0.00 0.00 179.25 180.05 1s5z n ARG 22 N -4.34 1.88 -2.86 0.00 1.74 -0.46 -4.96 116.66 107.65 1s5z n ARG 22 Ca -0.03 -1.30 -0.10 0.00 -0.77 0.00 0.00 57.85 55.65 1s5z n ARG 22 Cb 0.22 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.21 0.20 0.59 -0.13 0.00 -0.93 -4.97 105.19 101.17 1s5z n GLY 23 Ca 0.17 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.49 2.68 0.20 0.99 4.77 -0.62 -4.70 117.00 117.83 1s5z n LEU 24 Ca -0.05 -1.75 -0.15 0.00 -0.03 0.00 0.00 56.01 54.03 1s5z n LEU 24 Cb 0.55 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.38 1s5z n LEU 24 CO 0.29 0.64 0.76 0.58 -1.33 0.00 0.00 177.39 178.33 1s5z h VAL 25 N 2.07 0.66 -0.39 4.08 2.07 -1.89 -1.55 116.25 121.30 1s5z h VAL 25 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1s5z h VAL 25 Cb 0.67 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1s5z h VAL 25 CO 0.00 0.00 0.18 1.23 0.02 0.00 0.00 177.57 179.00 1s5z h GLY 26 N -0.45 0.61 0.34 2.17 0.00 -1.97 -1.03 103.07 102.75 1s5z h GLY 26 Ca -0.04 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.03 1s5z h GLY 26 CO 0.06 0.29 -0.15 -2.09 0.00 0.00 0.00 176.54 174.65 1s5z h GLU 27 N 0.49 -0.14 0.22 4.80 4.57 -1.84 0.16 114.58 122.84 1s5z h GLU 27 Ca 0.13 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1s5z h GLU 27 Cb 0.14 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1s5z h GLU 27 CO -0.02 -0.09 -0.11 0.82 -1.18 0.00 0.00 179.01 178.43 1s5z h ILE 28 N -0.15 0.82 -0.91 2.32 2.04 -1.08 -2.19 117.51 118.36 1s5z h ILE 28 Ca 0.13 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.90 1s5z h ILE 28 Cb 0.34 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 1s5z h ILE 28 CO -0.31 0.05 0.54 0.40 0.00 0.00 0.00 178.15 178.83 1s5z h ILE 29 N -0.40 0.89 -0.63 -0.67 2.04 -0.99 -1.61 117.51 116.14 1s5z h ILE 29 Ca -0.03 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1s5z h ILE 29 Cb 0.31 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1s5z h ILE 29 CO 0.05 0.16 0.31 0.00 0.00 0.00 0.00 178.15 178.67 1s5z h ALA 30 N 1.51 1.36 -0.61 1.87 0.00 -0.73 -0.89 119.26 121.76 1s5z h ALA 30 Ca 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1s5z h ALA 30 Cb 0.46 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1s5z h ALA 30 CO -0.27 0.51 0.31 0.00 0.00 0.00 0.00 179.25 179.80 1s5z h ARG 31 N 0.89 0.87 -0.07 0.00 3.08 -0.65 0.67 114.38 119.16 1s5z h ARG 31 Ca 0.22 -0.12 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1s5z h ARG 31 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1s5z h ARG 31 CO -0.03 0.68 -0.67 1.88 -1.07 0.00 0.00 179.97 180.76 1s5z h TYR 32 N 0.84 0.37 -0.20 3.04 0.05 -1.32 -2.16 116.97 117.59 1s5z h TYR 32 Ca 0.21 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 1s5z h TYR 32 Cb 0.08 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1s5z h TYR 32 CO -0.00 0.86 0.00 0.93 -1.05 0.00 0.00 178.16 178.90 1s5z h GLU 33 N 0.20 0.36 -0.30 4.88 5.08 -0.84 -2.61 114.58 121.34 1s5z h GLU 33 Ca -0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1s5z h GLU 33 Cb 1.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1s5z h GLU 33 CO 0.11 0.55 0.11 0.87 -1.00 0.00 0.00 179.01 179.65 1s5z h LYS 34 N 0.12 0.42 -0.01 2.33 1.57 -0.82 -2.11 116.57 118.07 1s5z h LYS 34 Ca 0.06 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1s5z h LYS 34 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1s5z h LYS 34 CO 0.01 0.36 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.79 1s5z h LYS 35 N 0.42 0.02 0.00 3.15 1.63 -1.21 -3.46 116.57 117.13 1s5z h LYS 35 Ca 0.11 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1s5z h LYS 35 Cb 0.10 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1s5z h LYS 35 CO -0.01 0.27 0.00 0.41 -3.45 0.00 0.00 179.45 176.67 1s5z n GLY 36 N -0.81 1.25 3.77 5.01 0.00 -0.79 -5.11 105.19 108.51 1s5z n GLY 36 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 3.19 -0.17 1.61 0.08 -1.00 -4.93 117.98 114.77 1s5z s PHE 37 Ca 0.00 1.61 -0.12 0.00 0.12 0.00 0.00 56.93 58.54 1s5z s PHE 37 Cb 0.00 -3.28 -0.05 0.00 -0.57 0.00 0.00 43.02 39.13 1s5z s PHE 37 CO 0.00 -0.97 0.23 0.08 -0.10 0.00 0.00 175.22 174.46 1s5z s VAL 38 N -1.49 5.35 -0.21 -0.44 1.01 -0.26 -4.43 120.40 119.93 1s5z s VAL 38 Ca 0.56 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 1s5z s VAL 38 Cb -0.27 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1s5z s VAL 38 CO 0.34 0.43 1.31 -0.22 0.00 0.00 0.00 175.10 176.96 1s5z s LEU 39 N 0.27 4.06 0.00 3.92 2.96 -1.26 -0.48 118.68 128.15 1s5z s LEU 39 Ca 0.14 1.54 0.07 0.00 -0.22 0.00 0.00 54.13 55.65 1s5z s LEU 39 Cb -0.12 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1s5z s LEU 39 CO 0.02 -0.91 0.42 0.52 -1.32 0.00 0.00 176.35 175.09 1s5z n VAL 40 N 5.73 0.00 -3.65 1.68 0.31 0.42 -4.94 118.33 117.88 1s5z n VAL 40 Ca 0.15 -0.39 -0.14 0.00 -0.01 0.00 0.00 64.34 63.95 1s5z n VAL 40 Cb 0.45 1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 34.36 1s5z n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1s5z s GLY 41 N -1.34 -0.51 -0.27 2.92 0.00 -1.15 -1.20 107.32 105.77 1s5z s GLY 41 Ca 0.04 1.91 -0.23 0.00 0.00 0.00 0.00 44.72 46.44 1s5z s GLY 41 CO 0.22 1.65 0.77 -2.27 0.00 0.00 0.00 173.10 173.47 1s5z s LEU 42 N 0.37 -0.73 -0.28 0.66 2.96 -1.26 -1.26 118.68 119.14 1s5z s LEU 42 Ca -0.00 1.35 -0.28 0.00 -0.22 0.00 0.00 54.13 54.97 1s5z s LEU 42 Cb -0.05 2.34 0.19 0.00 0.50 0.00 0.00 46.19 49.17 1s5z s LEU 42 CO 0.01 -0.23 1.36 -1.59 -1.32 0.00 0.00 176.35 174.58 1s5z s LYS 43 N 0.61 0.08 -0.10 1.98 -2.85 -0.75 -5.02 119.74 113.69 1s5z s LYS 43 Ca -0.02 0.03 -0.03 0.00 -1.00 0.00 0.00 55.97 54.95 1s5z s LYS 43 Cb -0.05 0.04 -0.03 0.00 -2.06 0.00 0.00 37.83 35.72 1s5z s LYS 43 CO -0.04 -0.02 0.03 -1.14 0.10 0.00 0.00 175.35 174.27 1s5z s GLN 44 N -0.85 3.12 0.21 1.78 0.74 -1.26 -1.04 119.66 122.36 1s5z s GLN 44 Ca 0.08 -0.35 -0.21 0.00 0.05 0.00 0.00 55.36 54.93 1s5z s GLN 44 Cb -0.02 -2.89 0.04 0.00 1.10 0.00 0.00 33.01 31.25 1s5z s GLN 44 CO -0.09 0.69 0.63 -0.48 -0.55 0.00 0.00 175.29 175.49 1s5z s LEU 45 N -0.84 -0.31 -0.46 3.68 2.34 -0.29 -4.95 118.68 117.84 1s5z s LEU 45 Ca 0.13 -0.34 -0.10 0.00 0.06 0.00 0.00 54.13 53.89 1s5z s LEU 45 Cb -0.12 2.54 0.11 0.00 -0.56 0.00 0.00 46.19 48.17 1s5z s LEU 45 CO 0.03 -1.13 0.33 -0.69 -1.06 0.00 0.00 176.35 173.83 1s5z s VAL 46 N -3.84 4.31 0.31 1.48 1.01 -1.26 0.04 120.40 122.44 1s5z s VAL 46 Ca 0.07 -1.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.13 1s5z s VAL 46 Cb -0.03 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 1s5z s VAL 46 CO -0.03 -0.70 1.14 -2.65 0.00 0.00 0.00 175.10 172.86 1s5z n PRO 47 N 4.94 1.70 -2.25 2.72 -0.02 -1.26 -5.00 135.00 135.83 1s5z n PRO 47 Ca -0.09 0.59 -0.27 0.00 -2.02 0.00 0.00 63.50 61.71 1s5z n PRO 47 Cb 0.41 -2.06 0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1s5z n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1s5z s THR 48 N -1.07 3.30 0.22 3.45 -4.23 -1.26 -4.56 115.64 111.50 1s5z s THR 48 Ca 0.57 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 61.04 1s5z s THR 48 Cb -0.64 -3.35 0.19 0.00 1.34 0.00 0.00 72.50 70.03 1s5z s THR 48 CO 0.61 -0.39 1.87 0.50 -0.54 0.00 0.00 174.62 176.67 1s5z h LYS 49 N -0.38 1.14 -0.64 3.99 3.64 -1.94 -1.40 116.57 120.98 1s5z h LYS 49 Ca -0.45 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 1s5z h LYS 49 Cb 1.27 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1s5z h LYS 49 CO 0.61 0.80 0.28 0.38 -2.27 0.00 0.00 179.45 179.25 1s5z h ASP 50 N 1.15 0.85 -0.13 4.20 2.03 -1.99 0.69 116.42 123.24 1s5z h ASP 50 Ca 0.30 -0.15 -0.01 0.00 -0.73 0.00 0.00 57.03 56.45 1s5z h ASP 50 Cb -0.05 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.22 1s5z h ASP 50 CO -0.06 0.77 0.06 0.25 -1.03 0.00 0.00 179.24 179.23 1s5z h LEU 51 N 0.88 0.17 -0.22 0.15 5.85 -1.87 -1.38 115.31 118.89 1s5z h LEU 51 Ca 0.22 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1s5z h LEU 51 Cb 0.16 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1s5z h LEU 51 CO -0.02 0.26 -0.06 0.00 -0.34 0.00 0.00 178.44 178.27 1s5z h ALA 52 N 0.92 0.14 -0.12 1.25 0.00 -0.97 0.17 119.26 120.64 1s5z h ALA 52 Ca 0.04 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1s5z h ALA 52 Cb 0.14 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1s5z h ALA 52 CO -0.00 -0.48 -0.20 0.93 0.00 0.00 0.00 179.25 179.50 1s5z h GLU 53 N -0.01 0.19 -0.07 0.00 5.08 -0.77 -1.42 114.58 117.58 1s5z h GLU 53 Ca 0.11 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1s5z h GLU 53 Cb 0.17 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1s5z h GLU 53 CO -0.23 0.39 -0.42 1.03 -1.00 0.00 0.00 179.01 178.79 1s5z h SER 54 N 0.18 0.48 -0.61 1.42 0.87 -0.71 -2.62 113.55 112.57 1s5z h SER 54 Ca 0.03 -0.67 0.08 0.00 -1.23 0.00 0.00 61.79 60.00 1s5z h SER 54 Cb 0.46 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 1s5z h SER 54 CO 0.03 1.07 0.27 -0.74 -0.53 0.00 0.00 176.83 176.94 1s5z h HIS 55 N -0.07 0.49 -0.94 2.24 -0.00 -0.39 -2.15 115.15 114.33 1s5z h HIS 55 Ca -0.03 0.03 -0.56 0.00 -0.00 0.00 0.00 60.37 59.80 1s5z h HIS 55 Cb 1.08 -0.13 -0.28 0.00 -0.00 0.00 0.00 27.41 28.08 1s5z h HIS 55 CO 0.13 0.18 0.72 0.66 -0.00 0.00 0.00 177.93 179.62 1s5z n TYR 56 N -4.92 2.96 -0.30 5.26 4.01 -0.56 -4.66 117.16 118.96 1s5z n TYR 56 Ca 0.08 -2.32 0.08 0.00 -0.16 0.00 0.00 57.90 55.58 1s5z n TYR 56 Cb 0.23 -1.14 0.30 0.00 -0.31 0.00 0.00 39.34 38.41 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 1.48 1.64 0.00 -0.72 0.00 -0.98 -1.13 119.26 119.55 1s5z h ALA 57 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1s5z h ALA 57 Cb 1.84 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1s5z h ALA 57 CO 1.26 0.15 0.00 1.05 0.00 0.00 0.00 179.25 181.72 1s5z h GLU 58 N 0.88 0.00 -0.36 0.00 4.11 -1.85 -0.98 114.58 116.38 1s5z h GLU 58 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 1s5z h GLU 58 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1s5z h GLU 58 CO -0.20 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.60 1s5z n HIS 59 N -2.82 0.48 -0.31 2.06 8.25 -0.44 -4.71 115.22 117.72 1s5z n HIS 59 Ca -0.02 -0.45 0.35 0.00 -0.26 0.00 0.00 57.72 57.35 1s5z n HIS 59 Cb 0.11 -0.02 0.74 0.00 1.12 0.00 0.00 29.99 31.94 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 2.36 0.00 -1.09 -0.41 2.10 -0.99 -1.58 116.57 116.95 1s5z h LYS 60 Ca 0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.03 1s5z h LYS 60 Cb 0.74 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 31.70 1s5z h LYS 60 CO 0.00 0.00 -0.08 0.39 -2.00 0.00 0.00 179.45 177.76 1s5z n GLU 61 N -4.09 3.21 -4.40 0.07 1.02 -1.26 -4.97 120.64 110.21 1s5z n GLU 61 Ca 0.25 -3.89 -0.21 0.00 -0.02 0.00 0.00 57.16 53.30 1s5z n GLU 61 Cb 1.26 -2.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.30 1s5z n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1s5z s ARG 62 N -3.71 1.49 0.36 3.49 3.00 -0.59 -5.05 118.95 117.93 1s5z s ARG 62 Ca 0.55 -1.69 0.16 0.00 0.00 0.00 0.00 55.73 54.75 1s5z s ARG 62 Cb 0.44 -1.32 0.65 0.00 0.00 0.00 0.00 34.95 34.72 1s5z s ARG 62 CO -0.07 0.19 1.74 -1.00 0.00 0.00 0.00 175.30 176.16 1s5z h PRO 63 N 2.40 0.00 -0.00 3.54 0.13 -1.95 -3.02 132.00 133.10 1s5z h PRO 63 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1s5z h PRO 63 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1s5z h PRO 63 CO 0.63 0.42 -0.28 1.97 -0.23 0.00 0.00 178.00 180.52 1s5z n PHE 64 N -3.69 0.00 0.03 1.56 1.16 -1.26 -4.36 117.46 110.90 1s5z n PHE 64 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.53 1s5z n PHE 64 Cb 0.51 -0.36 -0.02 0.00 -1.61 0.00 0.00 39.48 38.00 1s5z n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s5z h PHE 65 N 0.01 -0.34 -1.11 2.97 3.57 -1.74 -1.67 116.94 118.63 1s5z h PHE 65 Ca 0.00 0.01 0.36 0.00 3.53 0.00 0.00 57.97 61.87 1s5z h PHE 65 Cb 0.50 0.14 -0.14 0.00 2.79 0.00 0.00 35.95 39.24 1s5z h PHE 65 CO 0.00 -0.14 0.67 0.78 -2.23 0.00 0.00 178.31 177.40 1s5z h GLY 66 N -0.18 1.72 1.21 2.40 0.00 -1.79 0.37 103.07 106.80 1s5z h GLY 66 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1s5z h GLY 66 CO -0.06 -0.44 -0.16 -1.33 0.00 0.00 0.00 176.54 174.55 1s5z h GLY 67 N 0.23 0.99 1.08 4.60 0.00 -1.67 -1.72 103.07 106.58 1s5z h GLY 67 Ca 0.75 -0.82 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 1s5z h GLY 67 CO -0.51 0.75 -0.17 1.41 0.00 0.00 0.00 176.54 178.01 1s5z h LEU 68 N 0.81 0.98 -0.41 3.11 3.38 0.60 -2.09 115.31 121.69 1s5z h LEU 68 Ca 0.12 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1s5z h LEU 68 Cb 0.71 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1s5z h LEU 68 CO 0.05 1.14 0.10 0.58 0.09 0.00 0.00 178.44 180.40 1s5z h VAL 69 N 0.81 1.23 -0.17 1.22 2.07 -1.20 -1.91 116.25 118.30 1s5z h VAL 69 Ca 0.11 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1s5z h VAL 69 Cb 0.74 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1s5z h VAL 69 CO 0.06 0.27 0.11 0.28 0.02 0.00 0.00 177.57 178.31 1s5z h SER 70 N 0.51 0.21 -0.01 0.57 0.02 -1.23 -2.67 113.55 110.95 1s5z h SER 70 Ca 0.13 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1s5z h SER 70 Cb 0.31 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1s5z h SER 70 CO 0.00 0.19 -0.00 0.15 -1.14 0.00 0.00 176.83 176.03 1s5z h PHE 71 N 0.21 0.02 0.00 3.45 3.57 -1.34 -1.97 116.94 120.88 1s5z h PHE 71 Ca 0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1s5z h PHE 71 Cb 0.02 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1s5z h PHE 71 CO -0.05 0.35 0.00 0.97 -2.23 0.00 0.00 178.31 177.35 1s5z h ILE 72 N -0.31 0.00 -0.39 1.41 2.10 -1.36 0.79 117.51 119.75 1s5z h ILE 72 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1s5z h ILE 72 Cb 0.34 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1s5z h ILE 72 CO 0.00 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.42 1s5z n THR 73 N -2.78 0.72 1.24 2.19 -2.24 -1.01 -4.36 114.28 108.04 1s5z n THR 73 Ca -0.02 -0.86 0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1s5z n THR 73 Cb 0.08 0.74 0.53 0.00 -2.10 0.00 0.00 70.33 69.58 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 1.04 0.43 -3.17 3.42 3.41 0.27 -4.82 113.62 114.21 1s5z n SER 74 Ca 0.16 -0.34 -0.01 0.00 -0.26 0.00 0.00 58.87 58.42 1s5z n SER 74 Cb 0.50 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1s5z n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s5z n GLY 75 N 1.37 0.52 3.76 5.00 0.00 -1.26 -5.09 105.19 109.48 1s5z n GLY 75 Ca 0.11 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1s5z n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s5z s PRO 76 N -2.03 3.58 0.03 1.61 0.04 -1.26 -4.49 135.00 132.48 1s5z s PRO 76 Ca 0.22 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.41 1s5z s PRO 76 Cb -0.02 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 1s5z s PRO 76 CO 0.03 -0.79 -0.15 0.08 0.04 0.00 0.00 177.00 176.20 1s5z s VAL 77 N -1.35 1.23 -0.44 -0.36 1.01 0.11 -3.87 120.40 116.72 1s5z s VAL 77 Ca 0.64 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1s5z s VAL 77 Cb -0.37 -1.08 0.10 0.00 0.00 0.00 0.00 36.38 35.03 1s5z s VAL 77 CO 0.45 0.10 0.29 -0.69 0.00 0.00 0.00 175.10 175.25 1s5z s VAL 78 N -0.74 4.13 0.11 2.92 1.01 -0.95 -1.14 120.40 125.74 1s5z s VAL 78 Ca 0.03 -1.62 -0.18 0.00 0.00 0.00 0.00 61.98 60.22 1s5z s VAL 78 Cb -0.08 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1s5z s VAL 78 CO 0.01 -0.63 0.59 0.00 0.00 0.00 0.00 175.10 175.06 1s5z s ALA 79 N 1.37 3.56 0.18 5.51 0.00 -0.20 -1.03 121.76 131.16 1s5z s ALA 79 Ca 0.04 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.87 1s5z s ALA 79 Cb -0.24 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.26 1s5z s ALA 79 CO 0.00 0.40 0.43 0.00 0.00 0.00 0.00 175.76 176.60 1s5z s MET 80 N -1.43 1.30 -0.04 0.00 0.23 0.10 -1.82 119.30 117.63 1s5z s MET 80 Ca 0.33 -0.99 0.00 0.00 -1.03 0.00 0.00 55.69 54.01 1s5z s MET 80 Cb -0.18 0.47 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 1s5z s MET 80 CO 0.19 -0.52 -0.02 0.08 -2.03 0.00 0.00 175.02 172.72 1s5z s VAL 81 N -3.91 0.36 0.06 5.16 1.01 -0.39 -1.02 120.40 121.66 1s5z s VAL 81 Ca 0.12 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.19 1s5z s VAL 81 Cb 0.01 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1s5z s VAL 81 CO -0.02 0.20 -0.18 -0.36 0.00 0.00 0.00 175.10 174.75 1s5z s PHE 82 N 1.21 2.56 -0.02 5.22 0.08 -1.04 -0.43 117.98 125.54 1s5z s PHE 82 Ca -0.07 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 56.79 1s5z s PHE 82 Cb -0.14 -1.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 1s5z s PHE 82 CO -0.02 0.28 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.18 1s5z s GLU 83 N -1.58 1.77 0.00 0.44 2.12 0.36 -1.68 118.70 120.13 1s5z s GLU 83 Ca 0.15 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1s5z s GLU 83 Cb -0.11 -1.67 0.00 0.00 0.26 0.00 0.00 34.13 32.62 1s5z s GLU 83 CO 0.06 0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1s5z n GLY 84 N 2.67 1.68 3.71 -1.50 0.00 -0.33 -1.10 105.19 110.32 1s5z n GLY 84 Ca -0.16 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1s5z n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s5z s LYS 85 N -2.00 4.15 -1.06 1.61 2.20 -1.25 -2.59 119.74 120.80 1s5z s LYS 85 Ca 0.00 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1s5z s LYS 85 Cb 0.00 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1s5z s LYS 85 CO 0.00 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.66 1s5z n GLY 86 N 3.98 -0.48 0.34 5.54 0.00 -1.26 -4.86 105.19 108.44 1s5z n GLY 86 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 0.99 0.82 1.61 3.04 -1.78 -1.73 116.25 119.20 1s5z h VAL 87 Ca -0.29 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 65.16 1s5z h VAL 87 Cb 1.21 0.37 0.01 0.00 -2.01 0.00 0.00 31.29 30.87 1s5z h VAL 87 CO 0.35 0.10 -0.40 0.58 -1.01 0.00 0.00 177.57 177.19 1s5z h VAL 88 N 0.57 0.18 -0.61 1.51 2.07 -1.87 0.24 116.25 118.32 1s5z h VAL 88 Ca 0.26 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 1s5z h VAL 88 Cb 0.30 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1s5z h VAL 88 CO -0.08 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.61 1s5z h ALA 89 N -0.93 0.82 -0.28 1.67 0.00 -1.86 -2.75 119.26 115.92 1s5z h ALA 89 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1s5z h ALA 89 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1s5z h ALA 89 CO 0.18 0.58 0.18 1.03 0.00 0.00 0.00 179.25 181.21 1s5z h SER 90 N 0.93 0.33 -0.76 0.00 0.87 -1.23 -1.54 113.55 112.14 1s5z h SER 90 Ca 0.19 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1s5z h SER 90 Cb 0.44 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 1s5z h SER 90 CO 0.01 0.25 0.50 0.00 -0.53 0.00 0.00 176.83 177.07 1s5z h ALA 91 N 1.09 1.52 -0.39 6.23 0.00 -0.44 -0.20 119.26 127.06 1s5z h ALA 91 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1s5z h ALA 91 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1s5z h ALA 91 CO -0.02 0.42 0.01 0.00 0.00 0.00 0.00 179.25 179.66 1s5z h ARG 92 N 0.96 0.69 -0.61 0.00 2.47 -1.17 -1.73 114.38 115.00 1s5z h ARG 92 Ca 0.29 -0.21 0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1s5z h ARG 92 Cb -0.01 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.21 1s5z h ARG 92 CO -0.08 0.77 0.39 1.25 0.56 0.00 0.00 179.97 182.86 1s5z h LEU 93 N 0.52 0.65 -1.71 3.04 5.85 -0.49 -1.24 115.31 121.93 1s5z h LEU 93 Ca 0.11 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1s5z h LEU 93 Cb 0.46 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1s5z h LEU 93 CO 0.02 0.46 -0.15 0.24 -0.34 0.00 0.00 178.44 178.67 1s5z h MET 94 N 0.77 0.00 0.17 1.25 2.86 -0.83 -3.07 114.93 116.08 1s5z h MET 94 Ca 0.24 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.63 1s5z h MET 94 Cb -0.02 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.66 1s5z h MET 94 CO -0.08 0.15 -1.05 0.82 1.06 0.00 0.00 176.91 177.81 1s5z h ILE 95 N 0.00 1.41 0.00 -1.22 2.04 -0.34 -0.82 117.51 118.59 1s5z h ILE 95 Ca -0.00 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1s5z h ILE 95 Cb 0.44 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1s5z h ILE 95 CO 0.02 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.52 1s5z n GLY 96 N 1.61 0.22 3.52 5.37 0.00 -0.58 -1.03 105.19 114.30 1s5z n GLY 96 Ca -0.15 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 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 1.76 0.25 1.61 -7.23 -1.26 -4.69 120.40 110.84 1s5z s VAL 97 Ca 0.00 -2.07 -0.14 0.00 -1.81 0.00 0.00 61.98 57.96 1s5z s VAL 97 Cb 0.00 -2.74 0.32 0.00 0.56 0.00 0.00 36.38 34.52 1s5z s VAL 97 CO 0.00 -0.12 1.55 0.74 -0.31 0.00 0.00 175.10 176.97 1s5z h THR 98 N 2.03 0.00 -3.53 5.32 2.02 -1.98 -3.33 112.91 113.44 1s5z h THR 98 Ca -0.42 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.14 1s5z h THR 98 Cb 1.24 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.52 1s5z h THR 98 CO 0.73 0.00 0.41 0.21 0.37 0.00 0.00 175.52 177.24 1s5z s ASN 99 N -5.32 6.40 0.41 4.18 2.47 -1.26 -4.66 114.94 117.16 1s5z s ASN 99 Ca -0.14 -0.17 0.14 0.00 0.42 0.00 0.00 52.86 53.11 1s5z s ASN 99 Cb 0.23 -2.40 0.99 0.00 -1.45 0.00 0.00 41.25 38.62 1s5z s ASN 99 CO 0.74 -0.99 1.92 1.55 -3.72 0.00 0.00 177.10 176.59 1s5z h PRO 100 N 9.06 0.47 -0.03 0.43 0.13 -1.85 -0.42 132.00 139.78 1s5z h PRO 100 Ca -0.25 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1s5z h PRO 100 Cb 1.08 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1s5z h PRO 100 CO 0.99 0.31 -0.17 -0.07 -0.23 0.00 0.00 178.00 178.84 1s5z h LEU 101 N 0.48 0.05 -1.34 1.56 3.38 -1.82 -1.49 115.31 116.12 1s5z h LEU 101 Ca 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1s5z h LEU 101 Cb 0.77 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1s5z h LEU 101 CO -0.13 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1s5z n ALA 102 N -2.50 2.51 -2.57 1.53 0.00 -0.20 -4.88 120.51 114.39 1s5z n ALA 102 Ca -0.02 -0.59 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 1s5z n ALA 102 Cb 0.25 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.74 7.05 0.58 0.00 0.01 -0.56 -4.86 113.70 114.17 1s5z s SER 103 Ca 0.34 1.26 -0.20 0.00 1.31 0.00 0.00 55.95 58.66 1s5z s SER 103 Cb 0.20 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1s5z s SER 103 CO 0.30 -0.03 1.23 0.00 0.41 0.00 0.00 173.24 175.15 1s5z s ALA 104 N 0.33 2.62 0.44 1.44 0.00 -1.26 -4.27 121.76 121.06 1s5z s ALA 104 Ca 0.36 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 1s5z s ALA 104 Cb -0.19 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 1s5z s ALA 104 CO 0.19 -1.17 1.44 -2.14 0.00 0.00 0.00 175.76 174.07 1s5z s PRO 105 N -3.20 3.73 0.00 0.00 0.02 -1.26 -2.45 135.00 131.84 1s5z s PRO 105 Ca 0.76 2.44 0.00 0.00 0.02 0.00 0.00 61.00 64.22 1s5z s PRO 105 Cb -0.32 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1s5z s PRO 105 CO 0.36 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 1s5z n GLY 106 N 0.56 2.05 3.91 0.52 0.00 -1.26 -4.97 105.19 106.00 1s5z n GLY 106 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.32 6.35 0.11 1.61 1.04 -1.02 -4.92 113.70 116.53 1s5z s SER 107 Ca 0.00 0.83 -0.27 0.00 0.48 0.00 0.00 55.95 56.99 1s5z s SER 107 Cb 0.00 -2.20 -0.09 0.00 0.10 0.00 0.00 66.02 63.83 1s5z s SER 107 CO 0.00 -0.42 1.64 0.40 0.98 0.00 0.00 173.24 175.84 1s5z h ILE 108 N 0.70 0.44 -0.20 -1.02 2.04 -1.11 0.37 117.51 118.73 1s5z h ILE 108 Ca -0.48 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 1s5z h ILE 108 Cb 1.20 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1s5z h ILE 108 CO 0.63 0.00 -0.34 0.03 0.00 0.00 0.00 178.15 178.47 1s5z h ARG 109 N -0.47 0.42 -0.41 2.37 3.08 -1.35 -0.89 114.38 117.13 1s5z h ARG 109 Ca 0.02 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1s5z h ARG 109 Cb 0.49 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1s5z h ARG 109 CO -0.13 0.71 -0.02 0.78 -1.07 0.00 0.00 179.97 180.24 1s5z h GLY 110 N 1.09 0.72 1.35 0.04 0.00 -1.64 -1.01 103.07 103.62 1s5z h GLY 110 Ca 0.04 -0.46 -0.23 0.00 0.00 0.00 0.00 47.33 46.67 1s5z h GLY 110 CO 0.06 0.43 -1.36 -0.55 0.00 0.00 0.00 176.54 175.12 1s5z h ASP 111 N 0.63 0.00 0.00 0.19 3.32 -0.71 -3.43 116.42 116.42 1s5z h ASP 111 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1s5z h ASP 111 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1s5z h ASP 111 CO 0.02 0.89 -0.03 0.49 -1.72 0.00 0.00 179.24 178.89 1s5z n PHE 112 N -3.12 0.00 -4.31 4.55 3.72 -0.36 -5.08 117.46 112.86 1s5z n PHE 112 Ca -0.09 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.06 1s5z n PHE 112 Cb 0.96 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.42 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 -0.99 1.70 0.00 1.37 0.00 -0.39 -5.02 107.32 104.00 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 0.00 -1.68 0.01 3.33 0.00 0.00 0.00 173.10 174.76 1s5z n VAL 114 N -0.58 0.00 -4.39 1.40 0.24 -1.26 -4.29 118.33 109.44 1s5z n VAL 114 Ca -0.08 -0.07 -0.22 0.00 -2.04 0.00 0.00 64.34 61.93 1s5z n VAL 114 Cb 0.58 1.09 -0.16 0.00 -1.47 0.00 0.00 33.84 33.88 1s5z n VAL 114 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1s5z s ASP 115 N -0.12 1.38 0.52 -1.34 -1.08 -1.26 -4.61 116.67 110.16 1s5z s ASP 115 Ca 0.00 -0.22 0.19 0.00 -0.52 0.00 0.00 52.55 52.00 1s5z s ASP 115 Cb 0.00 -0.65 1.30 0.00 -1.46 0.00 0.00 42.92 42.11 1s5z s ASP 115 CO 0.00 -0.01 2.09 1.62 0.52 0.00 0.00 175.17 179.40 1s5z h VAL 116 N 6.05 0.91 0.00 1.11 3.04 -1.96 0.57 116.25 125.97 1s5z h VAL 116 Ca -0.34 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1s5z h VAL 116 Cb 1.17 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1s5z h VAL 116 CO 0.47 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.65 1s5z n GLY 117 N -1.57 -1.34 2.23 3.17 0.00 -1.26 -3.64 105.19 102.78 1s5z n GLY 117 Ca 0.02 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.44 1.02 -0.61 1.61 5.12 0.17 -4.96 116.66 117.58 1s5z n ARG 118 Ca 0.08 -3.43 -0.03 0.00 -1.93 0.00 0.00 57.85 52.55 1s5z n ARG 118 Cb 0.28 -1.55 0.18 0.00 -1.16 0.00 0.00 32.46 30.21 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 0.73 3.65 0.00 0.55 0.23 -1.10 -4.37 115.26 114.95 1s5z n ASN 119 Ca 0.24 -2.70 0.00 0.00 -0.53 0.00 0.00 54.58 51.58 1s5z n ASN 119 Cb 0.59 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 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 0.03 0.00 -4.04 1.53 5.41 -1.26 -4.84 119.36 116.20 1s5z n ILE 120 Ca 0.24 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.91 1s5z n ILE 120 Cb 0.96 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.79 1s5z n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1s5z s ILE 121 N 0.00 0.17 -0.05 1.39 2.07 -1.26 -0.74 121.20 122.78 1s5z s ILE 121 Ca 0.00 -1.38 0.05 0.00 -1.41 0.00 0.00 60.65 57.90 1s5z s ILE 121 Cb 0.00 -0.92 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 1s5z s ILE 121 CO 0.00 -0.76 -0.18 -2.28 -1.91 0.00 0.00 174.94 169.81 1s5z s HIS 122 N -2.75 2.60 0.01 3.50 5.65 0.30 -4.91 115.29 119.69 1s5z s HIS 122 Ca -0.04 -0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.02 1s5z s HIS 122 Cb -0.01 -1.60 -0.01 0.00 -1.18 0.00 0.00 32.58 29.78 1s5z s HIS 122 CO -0.06 0.10 -0.04 0.20 -0.65 0.00 0.00 174.74 174.29 1s5z s GLY 123 N -0.64 0.25 0.37 1.59 0.00 -1.26 -1.11 107.32 106.52 1s5z s GLY 123 Ca 0.10 -0.33 -0.28 0.00 0.00 0.00 0.00 44.72 44.21 1s5z s GLY 123 CO 0.00 -0.33 1.50 -0.56 0.00 0.00 0.00 173.10 173.71 1s5z s SER 124 N -0.55 6.35 0.00 1.64 0.01 -0.77 -4.91 113.70 115.47 1s5z s SER 124 Ca -0.03 3.03 0.27 0.00 1.31 0.00 0.00 55.95 60.53 1s5z s SER 124 Cb -0.04 -2.66 0.81 0.00 0.21 0.00 0.00 66.02 64.34 1s5z s SER 124 CO -0.00 -0.87 1.60 -0.90 0.41 0.00 0.00 173.24 173.48 1s5z n ASP 125 N 0.65 0.96 -3.59 2.44 3.85 -1.26 -4.80 116.55 114.80 1s5z n ASP 125 Ca 0.02 -0.86 -0.05 0.00 -0.71 0.00 0.00 54.79 53.19 1s5z n ASP 125 Cb 0.39 0.11 -0.02 0.00 -1.35 0.00 0.00 41.12 40.25 1s5z n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1s5z s SER 126 N -2.50 -0.21 0.25 -1.12 1.04 -1.26 -4.96 113.70 104.95 1s5z s SER 126 Ca 0.25 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.54 1s5z s SER 126 Cb 0.19 0.30 0.34 0.00 0.10 0.00 0.00 66.02 66.94 1s5z s SER 126 CO 0.51 -0.50 1.89 0.58 0.98 0.00 0.00 173.24 176.70 1s5z h VAL 127 N 2.00 1.14 0.25 5.02 2.07 -1.92 0.17 116.25 124.98 1s5z h VAL 127 Ca -0.20 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1s5z h VAL 127 Cb 1.21 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1s5z h VAL 127 CO 0.27 0.22 -0.34 -0.33 0.02 0.00 0.00 177.57 177.41 1s5z h GLU 128 N 1.21 -0.63 0.00 1.57 3.07 -1.98 0.40 114.58 118.21 1s5z h GLU 128 Ca 0.40 0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.22 1s5z h GLU 128 Cb 0.05 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1s5z h GLU 128 CO -0.14 -0.42 -0.40 0.66 -1.40 0.00 0.00 179.01 177.31 1s5z h SER 129 N -0.66 0.00 0.17 1.42 4.64 -1.89 -2.59 113.55 114.64 1s5z h SER 129 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1s5z h SER 129 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1s5z h SER 129 CO -0.12 0.40 -0.08 0.00 -0.87 0.00 0.00 176.83 176.16 1s5z h ALA 130 N 1.60 -0.23 -0.37 5.18 0.00 -0.11 0.38 119.26 125.71 1s5z h ALA 130 Ca -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1s5z h ALA 130 Cb 0.76 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1s5z h ALA 130 CO 0.05 -0.55 0.25 -0.91 0.00 0.00 0.00 179.25 178.09 1s5z h ASN 131 N -0.39 0.27 -0.02 0.00 2.35 -0.82 0.02 115.58 117.00 1s5z h ASN 131 Ca -0.02 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1s5z h ASN 131 Cb 0.30 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1s5z h ASN 131 CO 0.04 0.18 -0.12 -0.09 -1.65 0.00 0.00 177.43 175.79 1s5z h ARG 132 N 0.31 0.11 -0.74 0.81 2.43 -1.05 -3.04 114.38 113.22 1s5z h ARG 132 Ca 0.16 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1s5z h ARG 132 Cb 0.23 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1s5z h ARG 132 CO -0.03 0.79 0.26 0.93 -1.51 0.00 0.00 179.97 180.40 1s5z h GLU 133 N -0.52 1.13 -0.15 0.20 5.08 0.22 -1.41 114.58 119.13 1s5z h GLU 133 Ca -0.01 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1s5z h GLU 133 Cb 0.81 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1s5z h GLU 133 CO 0.03 0.95 0.10 0.82 -1.00 0.00 0.00 179.01 179.90 1s5z h ILE 134 N 1.10 1.05 0.00 3.13 2.04 -1.10 -0.17 117.51 123.56 1s5z h ILE 134 Ca 0.24 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 1s5z h ILE 134 Cb 0.27 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1s5z h ILE 134 CO -0.01 0.05 -0.20 0.00 0.00 0.00 0.00 178.15 177.98 1s5z h ALA 135 N 1.04 1.35 0.01 1.87 0.00 -1.39 0.14 119.26 122.27 1s5z h ALA 135 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s5z h ALA 135 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s5z h ALA 135 CO -0.01 0.25 -0.00 1.25 0.00 0.00 0.00 179.25 180.74 1s5z h LEU 136 N 0.00 -0.01 0.01 0.00 6.46 -0.68 -3.38 115.31 117.72 1s5z h LEU 136 Ca -0.00 -0.75 -0.22 0.00 -0.12 0.00 0.00 57.88 56.78 1s5z h LEU 136 Cb 0.46 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1s5z h LEU 136 CO 0.03 0.76 -1.09 -0.50 -0.62 0.00 0.00 178.44 177.02 1s5z h TRP 137 N -0.79 0.04 -3.84 1.25 4.06 -0.92 -3.47 115.95 112.27 1s5z h TRP 137 Ca -0.00 -0.03 -0.69 0.00 2.06 0.00 0.00 58.89 60.23 1s5z h TRP 137 Cb 0.76 -0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 28.71 1s5z h TRP 137 CO 0.19 1.03 -0.85 -0.06 -3.56 0.00 0.00 178.44 175.19 1s5z s PHE 138 N -2.69 2.37 0.24 0.49 0.40 0.46 -5.09 117.98 114.15 1s5z s PHE 138 Ca -0.00 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 55.93 1s5z s PHE 138 Cb 0.10 -1.27 -0.06 0.00 0.51 0.00 0.00 43.02 42.30 1s5z s PHE 138 CO 0.83 0.36 0.50 0.15 0.70 0.00 0.00 175.22 177.75 1s5z s LYS 139 N -2.10 3.65 0.19 0.44 -0.14 -1.26 -4.50 119.74 116.02 1s5z s LYS 139 Ca 0.15 -0.00 -0.18 0.00 -1.36 0.00 0.00 55.97 54.58 1s5z s LYS 139 Cb -0.10 -2.71 0.17 0.00 -1.68 0.00 0.00 37.83 33.51 1s5z s LYS 139 CO 0.07 0.30 1.61 -1.35 -0.76 0.00 0.00 175.35 175.22 1s5z h PRO 140 N 2.10 -0.10 0.00 -1.68 0.11 -1.96 -0.60 132.00 129.88 1s5z h PRO 140 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1s5z h PRO 140 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1s5z h PRO 140 CO 0.68 -0.07 0.03 0.39 -0.21 0.00 0.00 178.00 178.82 1s5z n GLU 141 N -5.43 0.11 0.00 1.05 4.71 -1.26 -1.39 120.64 118.43 1s5z n GLU 141 Ca 0.05 0.60 0.14 0.00 -0.01 0.00 0.00 57.16 57.94 1s5z n GLU 141 Cb 0.34 -1.89 0.49 0.00 -1.01 0.00 0.00 31.44 29.37 1s5z n GLU 141 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1s5z n GLU 142 N -2.10 1.07 -4.72 3.49 1.02 -0.23 -4.85 120.64 114.32 1s5z n GLU 142 Ca -0.01 -0.57 -0.33 0.00 -0.02 0.00 0.00 57.16 56.23 1s5z n GLU 142 Cb 0.05 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.85 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 -2.32 2.90 0.57 -4.62 1.43 -0.48 -4.49 118.68 111.66 1s5z s LEU 143 Ca 0.30 -0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 1s5z s LEU 143 Cb 0.20 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 1s5z s LEU 143 CO 0.45 0.26 1.20 0.18 0.23 0.00 0.00 176.35 178.66 1s5z n LEU 144 N 2.92 4.77 -0.11 1.79 4.77 -0.34 -4.93 117.00 125.87 1s5z n LEU 144 Ca -0.18 0.91 -0.14 0.00 -0.03 0.00 0.00 56.01 56.57 1s5z n LEU 144 Cb 0.53 -1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.00 1s5z n LEU 144 CO 0.29 -1.12 -1.24 0.41 -1.33 0.00 0.00 177.39 174.40 1s5z n THR 145 N -1.33 1.36 -4.29 -5.08 -1.04 -1.26 -4.92 114.28 97.73 1s5z n THR 145 Ca 0.12 -0.62 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 1s5z n THR 145 Cb 0.45 -1.09 -0.13 0.00 -1.82 0.00 0.00 70.33 67.74 1s5z n THR 145 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1s5z s GLU 146 N -2.48 3.50 0.00 -2.82 0.41 -1.26 -5.01 118.70 111.04 1s5z s GLU 146 Ca -0.25 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 1s5z s GLU 146 Cb 0.08 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 1s5z s GLU 146 CO 0.63 0.06 0.00 0.28 -0.49 0.00 0.00 175.26 175.74 1s5z n VAL 147 N 4.04 0.00 -3.17 2.63 0.31 -1.26 -5.08 118.33 115.80 1s5z n VAL 147 Ca -0.18 0.07 -0.16 0.00 -0.01 0.00 0.00 64.34 64.06 1s5z n VAL 147 Cb 0.52 -0.96 0.02 0.00 -0.91 0.00 0.00 33.84 32.51 1s5z n VAL 147 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1s5z n LYS 148 N -2.08 -1.84 -1.23 5.55 0.00 -1.26 -4.97 118.16 112.33 1s5z n LYS 148 Ca 0.00 1.62 -0.24 0.00 0.00 0.00 0.00 58.31 59.68 1s5z n LYS 148 Cb 0.00 -3.05 0.19 0.00 0.00 0.00 0.00 35.03 32.16 1s5z n LYS 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1s5z n PRO 149 N 0.31 -1.90 -1.68 1.64 -0.04 -1.26 -4.97 135.00 127.11 1s5z n PRO 149 Ca -0.01 -1.58 -0.45 0.00 -0.04 0.00 0.00 63.50 61.42 1s5z n PRO 149 Cb 0.48 -1.24 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 1s5z n PRO 149 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1s5z n ASN 150 N -4.11 3.36 0.00 3.54 4.05 -1.26 -4.86 115.26 115.98 1s5z n ASN 150 Ca 0.13 1.05 0.06 0.00 0.45 0.00 0.00 54.58 56.27 1s5z n ASN 150 Cb 0.48 -1.45 0.28 0.00 1.23 0.00 0.00 39.78 40.32 1s5z n ASN 150 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1s5z n PRO 151 N 4.19 0.13 0.00 1.20 -0.04 -1.26 -1.50 135.00 137.72 1s5z n PRO 151 Ca 0.18 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1s5z n PRO 151 Cb 0.31 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.69 1s5z n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1s5z n ASN 152 N -1.34 0.95 -0.06 3.54 3.02 -1.26 -4.02 115.26 116.09 1s5z n ASN 152 Ca 0.05 -0.87 -0.09 0.00 -0.03 0.00 0.00 54.58 53.64 1s5z n ASN 152 Cb 0.10 0.09 -0.15 0.00 -0.61 0.00 0.00 39.78 39.21 1s5z n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1s5z n LEU 153 N -0.66 0.42 -4.14 3.41 7.99 -0.56 -4.96 117.00 118.50 1s5z n LEU 153 Ca 0.13 0.19 -0.25 0.00 -0.01 0.00 0.00 56.01 56.07 1s5z n LEU 153 Cb 0.34 0.34 -0.16 0.00 -0.11 0.00 0.00 43.42 43.83 1s5z n LEU 153 CO 0.25 0.45 -0.50 -0.31 -1.51 0.00 0.00 177.39 175.77 1s5z s TYR 154 N -2.54 1.58 -2.00 -1.77 2.02 -1.25 -5.12 117.35 108.26 1s5z s TYR 154 Ca -0.08 -0.38 0.21 0.00 -0.37 0.00 0.00 57.07 56.46 1s5z s TYR 154 Cb 0.07 -1.04 1.25 0.00 -0.40 0.00 0.00 41.96 41.84 1s5z s TYR 154 CO 0.83 -0.09 1.64 -1.91 -1.57 0.00 0.00 175.55 174.44