#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 0.93 -0.74 6.55 5.03 -1.26 -3.68 115.26 122.09 1s5z n ASN 7 Ca 0.00 -1.62 0.06 0.00 0.87 0.00 0.00 54.58 53.90 1s5z n ASN 7 Cb 0.00 -0.06 0.19 0.00 -1.02 0.00 0.00 39.78 38.88 1s5z n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1s5z n LYS 8 N -0.15 2.92 -1.74 3.52 5.02 -1.26 -3.64 118.16 122.82 1s5z n LYS 8 Ca 0.14 -2.28 -0.38 0.00 -2.02 0.00 0.00 58.31 53.77 1s5z n LYS 8 Cb 0.21 -1.43 0.05 0.00 -0.02 0.00 0.00 35.03 33.83 1s5z n LYS 8 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1s5z n GLU 9 N 0.29 1.62 -4.25 1.97 2.13 -1.24 -4.69 120.64 116.46 1s5z n GLU 9 Ca 0.15 0.60 -0.20 0.00 0.66 0.00 0.00 57.16 58.36 1s5z n GLU 9 Cb 0.56 -2.57 -0.12 0.00 0.27 0.00 0.00 31.44 29.58 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 -2.95 1.04 0.02 5.31 0.52 -1.26 -1.52 118.95 120.11 1s5z s ARG 10 Ca 0.73 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1s5z s ARG 10 Cb -0.41 -1.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.98 1s5z s ARG 10 CO 0.48 0.22 -0.03 -0.08 0.02 0.00 0.00 175.30 175.91 1s5z s THR 11 N -1.73 0.14 -0.15 0.02 -1.32 -0.42 -4.71 115.64 107.46 1s5z s THR 11 Ca 0.07 -0.69 -0.12 0.00 -1.21 0.00 0.00 61.69 59.75 1s5z s THR 11 Cb -0.07 -0.24 -0.05 0.00 -1.51 0.00 0.00 72.50 70.63 1s5z s THR 11 CO 0.04 -0.35 0.24 0.12 -2.21 0.00 0.00 174.62 172.46 1s5z s PHE 12 N -1.06 3.49 -0.01 9.09 5.36 -1.26 -1.49 117.98 132.09 1s5z s PHE 12 Ca -0.11 0.55 0.03 0.00 -0.96 0.00 0.00 56.93 56.45 1s5z s PHE 12 Cb -0.07 -2.23 -0.01 0.00 -0.34 0.00 0.00 43.02 40.37 1s5z s PHE 12 CO -0.01 0.36 -0.11 -0.51 -1.46 0.00 0.00 175.22 173.49 1s5z s LEU 13 N 0.08 1.97 -0.05 6.12 1.43 -0.06 -1.66 118.68 126.50 1s5z s LEU 13 Ca 0.15 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1s5z s LEU 13 Cb -0.13 -0.61 0.02 0.00 0.03 0.00 0.00 46.19 45.51 1s5z s LEU 13 CO 0.03 0.13 -0.02 0.00 0.23 0.00 0.00 176.35 176.72 1s5z s ALA 14 N -0.16 0.65 -0.46 4.21 0.00 -0.40 -0.76 121.76 124.84 1s5z s ALA 14 Ca 0.02 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 1s5z s ALA 14 Cb -0.06 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1s5z s ALA 14 CO -0.00 -0.21 1.01 0.08 0.00 0.00 0.00 175.76 176.64 1s5z s VAL 15 N 1.37 4.38 0.95 0.00 1.01 -0.09 -1.05 120.40 126.97 1s5z s VAL 15 Ca -0.04 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 1s5z s VAL 15 Cb -0.13 -4.49 0.16 0.00 0.00 0.00 0.00 36.38 31.91 1s5z s VAL 15 CO -0.02 -0.87 1.09 -0.54 0.00 0.00 0.00 175.10 174.75 1s5z s LYS 16 N 4.00 0.82 0.30 2.72 1.02 -0.13 -2.24 119.74 126.24 1s5z s LYS 16 Ca 0.42 0.77 0.02 0.00 0.02 0.00 0.00 55.97 57.20 1s5z s LYS 16 Cb -0.09 -1.76 0.76 0.00 -0.52 0.00 0.00 37.83 36.22 1s5z s LYS 16 CO 0.28 -2.53 1.58 -1.35 -0.92 0.00 0.00 175.35 172.41 1s5z h PRO 17 N -1.76 0.03 -0.65 -1.68 0.11 -1.86 0.14 132.00 126.33 1s5z h PRO 17 Ca -0.52 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1s5z h PRO 17 Cb 1.30 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 1s5z h PRO 17 CO 0.54 0.02 0.13 0.38 -0.21 0.00 0.00 178.00 178.87 1s5z h ASP 18 N 0.04 1.00 -0.51 -2.05 2.03 -1.89 -0.78 116.42 114.26 1s5z h ASP 18 Ca 0.59 -0.22 -0.03 0.00 -0.73 0.00 0.00 57.03 56.65 1s5z h ASP 18 Cb 1.24 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 39.45 1s5z h ASP 18 CO -0.87 0.98 0.20 1.23 -1.03 0.00 0.00 179.24 179.75 1s5z h GLY 19 N 1.05 0.83 0.92 7.15 0.00 -0.89 -1.97 103.07 110.16 1s5z h GLY 19 Ca 0.20 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1s5z h GLY 19 CO 0.01 0.43 -0.09 -2.08 0.00 0.00 0.00 176.54 174.80 1s5z h VAL 20 N 0.69 1.28 0.00 4.60 2.07 -1.19 -2.23 116.25 121.47 1s5z h VAL 20 Ca 0.17 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1s5z h VAL 20 Cb 0.20 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1s5z h VAL 20 CO -0.01 0.37 -0.16 0.00 0.02 0.00 0.00 177.57 177.79 1s5z h ALA 21 N 0.80 1.46 -0.42 1.67 0.00 -1.04 -2.16 119.26 119.56 1s5z h ALA 21 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s5z h ALA 21 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s5z h ALA 21 CO 0.04 0.20 0.00 0.54 0.00 0.00 0.00 179.25 180.03 1s5z n ARG 22 N -3.94 2.01 -3.44 0.00 1.74 -0.75 -4.95 116.66 107.33 1s5z n ARG 22 Ca -0.02 -1.57 -0.20 0.00 -0.77 0.00 0.00 57.85 55.29 1s5z n ARG 22 Cb 0.25 -1.35 0.08 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.38 0.81 -0.13 0.00 -0.81 -4.93 105.19 100.96 1s5z n GLY 23 Ca 0.15 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.39 2.93 0.07 0.99 4.77 -0.85 -4.66 117.00 115.86 1s5z n LEU 24 Ca -0.07 -1.58 -0.12 0.00 -0.03 0.00 0.00 56.01 54.22 1s5z n LEU 24 Cb 0.58 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1s5z n LEU 24 CO 0.58 0.66 0.81 0.58 -1.33 0.00 0.00 177.39 178.69 1s5z h VAL 25 N 3.06 0.80 -0.36 4.08 2.07 -1.88 -1.68 116.25 122.34 1s5z h VAL 25 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1s5z h VAL 25 Cb 0.77 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1s5z h VAL 25 CO 0.00 0.00 0.12 1.23 0.02 0.00 0.00 177.57 178.94 1s5z h GLY 26 N -0.16 0.60 0.55 2.17 0.00 -1.98 -1.50 103.07 102.75 1s5z h GLY 26 Ca 0.02 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.07 1s5z h GLY 26 CO -0.06 0.33 0.22 -2.09 0.00 0.00 0.00 176.54 174.94 1s5z h GLU 27 N 0.43 0.41 -0.13 4.80 4.57 -1.84 0.13 114.58 122.95 1s5z h GLU 27 Ca 0.12 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1s5z h GLU 27 Cb 0.25 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1s5z h GLU 27 CO -0.00 0.27 -0.01 0.82 -1.18 0.00 0.00 179.01 178.91 1s5z h ILE 28 N 0.42 1.26 -0.81 2.32 2.04 -1.17 -2.29 117.51 119.27 1s5z h ILE 28 Ca 0.26 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.29 1s5z h ILE 28 Cb 0.26 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1s5z h ILE 28 CO -0.24 0.25 0.53 0.40 0.00 0.00 0.00 178.15 179.09 1s5z h ILE 29 N -0.04 1.16 -0.51 -0.67 2.04 -0.98 -2.43 117.51 116.09 1s5z h ILE 29 Ca 0.04 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1s5z h ILE 29 Cb 0.38 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1s5z h ILE 29 CO 0.01 0.19 0.20 0.00 0.00 0.00 0.00 178.15 178.55 1s5z h ALA 30 N 1.32 1.40 -0.77 1.87 0.00 -0.63 -1.68 119.26 120.76 1s5z h ALA 30 Ca 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1s5z h ALA 30 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1s5z h ALA 30 CO -0.09 0.46 0.30 0.00 0.00 0.00 0.00 179.25 179.91 1s5z h ARG 31 N 0.73 1.16 0.00 0.00 3.08 -0.91 0.27 114.38 118.70 1s5z h ARG 31 Ca 0.17 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1s5z h ARG 31 Cb 0.15 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1s5z h ARG 31 CO -0.02 0.94 -0.71 1.88 -1.07 0.00 0.00 179.97 181.00 1s5z h TYR 32 N 1.12 0.00 -0.19 3.04 0.05 -1.36 -2.45 116.97 117.18 1s5z h TYR 32 Ca 0.26 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.93 1s5z h TYR 32 Cb 0.23 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 1s5z h TYR 32 CO 0.02 0.71 -0.29 0.93 -1.05 0.00 0.00 178.16 178.48 1s5z h GLU 33 N 0.00 0.53 -0.14 4.88 5.08 -0.87 -2.55 114.58 121.50 1s5z h GLU 33 Ca -0.01 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 1s5z h GLU 33 Cb 1.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1s5z h GLU 33 CO 0.09 0.91 -0.09 0.87 -1.00 0.00 0.00 179.01 179.80 1s5z h LYS 34 N 0.18 0.22 -0.33 2.33 1.57 -0.95 -2.23 116.57 117.36 1s5z h LYS 34 Ca 0.02 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1s5z h LYS 34 Cb 0.87 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1s5z h LYS 34 CO 0.07 0.32 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.03 1s5z h LYS 35 N 0.21 0.52 0.00 3.15 1.63 -1.36 -3.47 116.57 117.25 1s5z h LYS 35 Ca 0.05 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1s5z h LYS 35 Cb 0.29 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1s5z h LYS 35 CO 0.02 0.55 0.00 0.41 -3.45 0.00 0.00 179.45 176.98 1s5z n GLY 36 N -0.86 1.03 3.81 5.01 0.00 -0.84 -5.11 105.19 108.22 1s5z n GLY 36 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 3.18 -0.11 1.61 0.08 -0.97 -4.79 117.98 114.98 1s5z s PHE 37 Ca 0.00 1.60 -0.04 0.00 0.12 0.00 0.00 56.93 58.62 1s5z s PHE 37 Cb 0.00 -2.97 -0.03 0.00 -0.57 0.00 0.00 43.02 39.45 1s5z s PHE 37 CO 0.00 -0.45 0.03 0.08 -0.10 0.00 0.00 175.22 174.78 1s5z s VAL 38 N -2.04 4.54 -0.37 -0.44 1.01 -0.54 -4.43 120.40 118.13 1s5z s VAL 38 Ca 0.64 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1s5z s VAL 38 Cb -0.13 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1s5z s VAL 38 CO 0.17 0.57 1.15 -0.22 0.00 0.00 0.00 175.10 176.77 1s5z s LEU 39 N -0.60 3.81 0.00 3.92 2.96 -1.26 -0.70 118.68 126.81 1s5z s LEU 39 Ca 0.10 0.86 0.16 0.00 -0.22 0.00 0.00 54.13 55.04 1s5z s LEU 39 Cb -0.12 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.86 1s5z s LEU 39 CO 0.02 -1.06 0.69 0.52 -1.32 0.00 0.00 176.35 175.20 1s5z n VAL 40 N 6.31 0.00 -3.62 1.68 0.31 0.15 -4.92 118.33 118.23 1s5z n VAL 40 Ca 0.13 -0.14 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 1s5z n VAL 40 Cb 0.48 1.01 -0.07 0.00 -0.91 0.00 0.00 33.84 34.35 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 -2.48 -0.53 -0.28 2.92 0.00 -1.18 -0.60 107.32 105.19 1s5z s GLY 41 Ca 0.07 2.00 -0.22 0.00 0.00 0.00 0.00 44.72 46.57 1s5z s GLY 41 CO 0.64 1.70 0.76 -2.27 0.00 0.00 0.00 173.10 173.93 1s5z s LEU 42 N 0.27 -0.75 -0.20 0.66 2.96 -1.26 -1.40 118.68 118.95 1s5z s LEU 42 Ca -0.01 1.36 -0.32 0.00 -0.22 0.00 0.00 54.13 54.95 1s5z s LEU 42 Cb -0.05 2.34 0.15 0.00 0.50 0.00 0.00 46.19 49.13 1s5z s LEU 42 CO 0.01 -0.23 1.19 -1.59 -1.32 0.00 0.00 176.35 174.41 1s5z s LYS 43 N 0.73 0.32 -0.08 1.98 -2.85 -0.57 -5.01 119.74 114.27 1s5z s LYS 43 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 55.97 54.92 1s5z s LYS 43 Cb -0.05 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.84 1s5z s LYS 43 CO -0.06 -0.12 -0.05 -1.14 0.10 0.00 0.00 175.35 174.08 1s5z s GLN 44 N -1.73 2.87 0.22 1.78 0.74 -1.26 -0.41 119.66 121.87 1s5z s GLN 44 Ca 0.06 -0.51 -0.19 0.00 0.05 0.00 0.00 55.36 54.77 1s5z s GLN 44 Cb -0.01 -2.66 0.03 0.00 1.10 0.00 0.00 33.01 31.47 1s5z s GLN 44 CO -0.04 0.64 0.60 -0.48 -0.55 0.00 0.00 175.29 175.46 1s5z s LEU 45 N -0.74 -0.11 -0.41 3.68 2.34 -0.15 -4.96 118.68 118.34 1s5z s LEU 45 Ca 0.11 -0.50 -0.06 0.00 0.06 0.00 0.00 54.13 53.74 1s5z s LEU 45 Cb -0.11 2.37 0.09 0.00 -0.56 0.00 0.00 46.19 47.98 1s5z s LEU 45 CO 0.02 -1.15 0.22 -0.69 -1.06 0.00 0.00 176.35 173.68 1s5z s VAL 46 N -3.89 3.74 0.17 1.48 1.01 -1.26 0.18 120.40 121.83 1s5z s VAL 46 Ca 0.10 -1.67 -0.33 0.00 0.00 0.00 0.00 61.98 60.08 1s5z s VAL 46 Cb -0.03 -3.38 -0.16 0.00 0.00 0.00 0.00 36.38 32.81 1s5z s VAL 46 CO 0.00 -0.55 1.10 -2.65 0.00 0.00 0.00 175.10 173.01 1s5z n PRO 47 N 4.77 1.01 -2.08 2.72 -0.02 -1.26 -4.97 135.00 135.17 1s5z n PRO 47 Ca -0.07 0.36 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 1s5z n PRO 47 Cb 0.42 -1.81 0.01 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.28 4.67 0.24 3.45 -1.32 -1.26 -4.62 115.64 116.52 1s5z s THR 48 Ca 0.73 0.67 -0.06 0.00 -1.21 0.00 0.00 61.69 61.81 1s5z s THR 48 Cb -0.88 -3.84 0.21 0.00 -1.51 0.00 0.00 72.50 66.48 1s5z s THR 48 CO 0.53 -1.03 1.87 0.50 -2.21 0.00 0.00 174.62 174.28 1s5z h LYS 49 N -0.20 1.03 -0.10 7.08 3.64 -1.95 -1.54 116.57 124.54 1s5z h LYS 49 Ca -0.45 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1s5z h LYS 49 Cb 1.20 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1s5z h LYS 49 CO 0.62 0.68 0.05 -0.44 -2.27 0.00 0.00 179.45 178.09 1s5z h ASP 50 N 1.06 0.07 -0.35 4.20 3.32 -1.99 -0.26 116.42 122.47 1s5z h ASP 50 Ca 0.36 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.46 1s5z h ASP 50 Cb 0.05 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1s5z h ASP 50 CO -0.13 0.06 0.05 0.25 -1.72 0.00 0.00 179.24 177.75 1s5z h LEU 51 N 0.10 -0.02 -0.34 1.55 5.85 -1.84 -0.93 115.31 119.67 1s5z h LEU 51 Ca 0.04 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1s5z h LEU 51 Cb 0.01 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1s5z h LEU 51 CO -0.03 0.03 0.22 0.00 -0.34 0.00 0.00 178.44 178.32 1s5z h ALA 52 N 1.27 0.43 -0.30 1.25 0.00 -0.97 -0.05 119.26 120.89 1s5z h ALA 52 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1s5z h ALA 52 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1s5z h ALA 52 CO -0.23 -0.11 -0.01 0.93 0.00 0.00 0.00 179.25 179.83 1s5z h GLU 53 N 0.45 0.46 -0.28 0.00 5.08 -0.67 -1.66 114.58 117.97 1s5z h GLU 53 Ca 0.13 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1s5z h GLU 53 Cb -0.04 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1s5z h GLU 53 CO -0.03 0.50 -0.45 0.77 -1.00 0.00 0.00 179.01 178.80 1s5z h SER 54 N 0.44 0.88 -0.33 1.42 0.02 -0.73 -0.34 113.55 114.90 1s5z h SER 54 Ca 0.10 -0.52 0.04 0.00 -0.84 0.00 0.00 61.79 60.56 1s5z h SER 54 Cb 0.31 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 1s5z h SER 54 CO 0.01 1.23 0.12 -0.74 -1.14 0.00 0.00 176.83 176.30 1s5z h HIS 55 N 0.55 0.21 -0.53 3.45 -0.00 -0.43 -2.45 115.15 115.95 1s5z h HIS 55 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1s5z h HIS 55 Cb 1.05 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 1s5z h HIS 55 CO 0.08 0.09 0.00 0.66 -0.00 0.00 0.00 177.93 178.76 1s5z n TYR 56 N -5.02 0.93 -0.27 5.26 4.01 -0.68 -4.66 117.16 116.73 1s5z n TYR 56 Ca 0.01 -0.41 0.24 0.00 -0.16 0.00 0.00 57.90 57.57 1s5z n TYR 56 Cb 0.12 -0.09 0.44 0.00 -0.31 0.00 0.00 39.34 39.50 1s5z n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5z n ALA 57 N 0.99 0.77 0.20 -0.72 0.00 -0.14 0.12 120.51 121.73 1s5z n ALA 57 Ca 0.19 0.86 0.02 0.00 0.00 0.00 0.00 53.44 54.51 1s5z n ALA 57 Cb 0.58 -0.81 0.11 0.00 0.00 0.00 0.00 19.45 19.33 1s5z n ALA 57 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1s5z n GLU 58 N -4.94 0.03 -0.04 0.00 0.28 -1.26 -1.55 120.64 113.17 1s5z n GLU 58 Ca 0.29 0.33 0.01 0.00 -0.16 0.00 0.00 57.16 57.64 1s5z n GLU 58 Cb 0.98 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 32.39 1s5z n GLU 58 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1s5z n HIS 59 N -1.40 0.09 -0.14 -1.84 8.25 0.33 -4.75 115.22 115.76 1s5z n HIS 59 Ca 0.02 -0.51 0.15 0.00 -0.26 0.00 0.00 57.72 57.12 1s5z n HIS 59 Cb 0.05 -0.05 0.51 0.00 1.12 0.00 0.00 29.99 31.62 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 0.38 0.39 0.00 -0.41 2.10 -1.29 -0.12 116.57 117.61 1s5z h LYS 60 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1s5z h LYS 60 Cb 0.55 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1s5z h LYS 60 CO 0.00 0.25 -0.32 -0.85 -2.00 0.00 0.00 179.45 176.54 1s5z n GLU 61 N -4.47 0.22 -2.76 0.07 -0.00 -1.26 -4.89 120.64 107.55 1s5z n GLU 61 Ca 0.13 0.11 -0.33 0.00 -0.00 0.00 0.00 57.16 57.08 1s5z n GLU 61 Cb 0.50 -1.69 -0.06 0.00 -0.00 0.00 0.00 31.44 30.19 1s5z n GLU 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1s5z s ARG 62 N -3.11 4.17 0.27 3.44 6.06 -0.06 -4.99 118.95 124.73 1s5z s ARG 62 Ca 0.09 1.13 -0.02 0.00 -2.50 0.00 0.00 55.73 54.43 1s5z s ARG 62 Cb 0.14 -2.17 0.42 0.00 0.06 0.00 0.00 34.95 33.40 1s5z s ARG 62 CO 0.65 -0.09 1.87 -1.35 -2.50 0.00 0.00 175.30 173.89 1s5z h PRO 63 N 1.80 1.11 -0.00 5.12 0.11 -1.90 -2.65 132.00 135.59 1s5z h PRO 63 Ca -0.49 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1s5z h PRO 63 Cb 1.18 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1s5z h PRO 63 CO 0.61 0.73 -0.01 1.97 -0.21 0.00 0.00 178.00 181.09 1s5z n PHE 64 N -4.52 0.00 -0.06 0.65 1.16 -1.26 -4.20 117.46 109.21 1s5z n PHE 64 Ca 0.16 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.62 1s5z n PHE 64 Cb 0.20 -0.14 -0.06 0.00 -1.61 0.00 0.00 39.48 37.87 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 0.11 -1.33 -0.99 2.97 3.57 -1.65 -0.76 116.94 118.87 1s5z h PHE 65 Ca 0.00 0.06 0.19 0.00 3.53 0.00 0.00 57.97 61.75 1s5z h PHE 65 Cb 0.17 0.62 -0.10 0.00 2.79 0.00 0.00 35.95 39.43 1s5z h PHE 65 CO 0.00 -0.47 0.61 0.78 -2.23 0.00 0.00 178.31 177.00 1s5z h GLY 66 N -0.43 1.56 0.81 2.40 0.00 -1.81 -1.82 103.07 103.77 1s5z h GLY 66 Ca 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1s5z h GLY 66 CO -0.49 -0.04 0.02 -1.33 0.00 0.00 0.00 176.54 174.70 1s5z h GLY 67 N 0.69 0.13 0.86 4.60 0.00 -1.44 -0.54 103.07 107.37 1s5z h GLY 67 Ca 0.55 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.83 1s5z h GLY 67 CO -0.32 0.07 0.27 1.41 0.00 0.00 0.00 176.54 177.97 1s5z h LEU 68 N -0.09 0.43 -0.24 3.11 3.38 -0.69 -0.78 115.31 120.43 1s5z h LEU 68 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1s5z h LEU 68 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1s5z h LEU 68 CO 0.00 0.31 0.13 0.58 0.09 0.00 0.00 178.44 179.54 1s5z h VAL 69 N 0.54 1.12 -0.51 1.22 2.07 -1.30 -1.33 116.25 118.06 1s5z h VAL 69 Ca 0.19 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1s5z h VAL 69 Cb 0.03 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1s5z h VAL 69 CO -0.10 0.12 0.27 0.28 0.02 0.00 0.00 177.57 178.16 1s5z h SER 70 N 0.27 0.63 0.02 0.57 0.02 -0.77 -2.81 113.55 111.48 1s5z h SER 70 Ca 0.08 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1s5z h SER 70 Cb 0.08 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1s5z h SER 70 CO -0.01 0.53 -0.01 0.15 -1.14 0.00 0.00 176.83 176.34 1s5z h PHE 71 N 0.72 -0.03 0.00 3.45 3.57 -0.84 -2.79 116.94 121.02 1s5z h PHE 71 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1s5z h PHE 71 Cb 0.04 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1s5z h PHE 71 CO 0.00 0.68 0.00 0.97 -2.23 0.00 0.00 178.31 177.74 1s5z h ILE 72 N -0.83 0.00 -0.21 1.41 2.10 -1.25 0.93 117.51 119.68 1s5z h ILE 72 Ca -0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1s5z h ILE 72 Cb 0.73 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 1s5z h ILE 72 CO 0.01 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.43 1s5z n THR 73 N -2.49 0.33 0.62 2.19 -2.24 -1.06 -4.35 114.28 107.28 1s5z n THR 73 Ca -0.02 -0.67 0.12 0.00 -2.27 0.00 0.00 64.05 61.22 1s5z n THR 73 Cb 0.06 1.09 0.46 0.00 -2.10 0.00 0.00 70.33 69.83 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 1.07 0.49 -2.21 3.42 3.41 0.32 -4.83 113.62 115.29 1s5z n SER 74 Ca 0.13 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1s5z n SER 74 Cb 0.48 -0.69 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.80 0.64 3.72 5.00 0.00 -1.26 -5.11 105.19 108.98 1s5z n GLY 75 Ca 0.05 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1s5z n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s5z n PRO 76 N -0.39 1.77 -4.41 1.61 -0.04 -1.26 -4.54 135.00 127.74 1s5z n PRO 76 Ca 0.01 0.64 -0.20 0.00 -0.04 0.00 0.00 63.50 63.92 1s5z n PRO 76 Cb 0.27 -2.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.08 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 -1.27 0.79 -0.39 0.52 1.01 0.13 -3.84 120.40 117.35 1s5z s VAL 77 Ca 0.68 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1s5z s VAL 77 Cb -0.45 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.30 1s5z s VAL 77 CO 0.53 0.23 0.22 -0.69 0.00 0.00 0.00 175.10 175.39 1s5z s VAL 78 N -0.07 4.43 0.08 2.92 1.01 -0.95 -0.97 120.40 126.85 1s5z s VAL 78 Ca 0.01 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1s5z s VAL 78 Cb -0.06 -3.55 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1s5z s VAL 78 CO -0.00 -0.32 0.44 0.00 0.00 0.00 0.00 175.10 175.22 1s5z s ALA 79 N 1.51 3.69 0.15 5.51 0.00 0.46 -0.91 121.76 132.16 1s5z s ALA 79 Ca 0.02 -0.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 1s5z s ALA 79 Cb -0.20 -2.35 0.05 0.00 0.00 0.00 0.00 23.12 20.62 1s5z s ALA 79 CO 0.05 0.52 0.53 0.00 0.00 0.00 0.00 175.76 176.86 1s5z s MET 80 N -1.77 1.23 -0.07 0.00 0.23 0.06 -1.51 119.30 117.47 1s5z s MET 80 Ca 0.32 -0.60 0.01 0.00 -1.03 0.00 0.00 55.69 54.39 1s5z s MET 80 Cb -0.15 0.54 0.02 0.00 -1.53 0.00 0.00 34.83 33.72 1s5z s MET 80 CO 0.17 -0.52 -0.06 0.08 -2.03 0.00 0.00 175.02 172.67 1s5z s VAL 81 N -3.78 0.73 0.03 5.16 1.01 -0.49 -0.88 120.40 122.16 1s5z s VAL 81 Ca 0.03 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1s5z s VAL 81 Cb -0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1s5z s VAL 81 CO -0.11 0.29 -0.11 -0.36 0.00 0.00 0.00 175.10 174.80 1s5z s PHE 82 N 1.19 2.76 -0.03 5.22 0.08 -0.56 -0.68 117.98 125.97 1s5z s PHE 82 Ca -0.06 -0.12 0.06 0.00 0.12 0.00 0.00 56.93 56.92 1s5z s PHE 82 Cb -0.14 -1.54 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1s5z s PHE 82 CO -0.02 0.34 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.24 1s5z s GLU 83 N -1.50 1.76 0.00 0.44 2.12 0.12 -1.30 118.70 120.34 1s5z s GLU 83 Ca 0.17 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1s5z s GLU 83 Cb -0.11 -1.62 0.00 0.00 0.26 0.00 0.00 34.13 32.66 1s5z s GLU 83 CO 0.07 0.37 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 1s5z n GLY 84 N 2.80 1.85 3.71 -1.50 0.00 -0.57 -1.46 105.19 110.01 1s5z n GLY 84 Ca -0.16 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.77 2.64 -2.81 1.61 4.81 -1.24 -2.34 118.16 120.07 1s5z n LYS 85 Ca 0.00 0.95 -0.15 0.00 -0.87 0.00 0.00 58.31 58.24 1s5z n LYS 85 Cb 0.00 -2.78 -0.00 0.00 0.02 0.00 0.00 35.03 32.26 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 3.85 -0.49 0.31 3.14 0.00 -1.26 -4.86 105.19 105.87 1s5z n GLY 86 Ca 0.16 0.04 0.03 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 -0.39 1.14 0.25 1.61 3.04 -1.76 -1.35 116.25 118.79 1s5z h VAL 87 Ca -0.32 -0.31 -0.01 0.00 -1.01 0.00 0.00 66.70 65.04 1s5z h VAL 87 Cb 1.23 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1s5z h VAL 87 CO 0.39 0.15 -0.12 0.58 -1.01 0.00 0.00 177.57 177.55 1s5z h VAL 88 N 0.65 0.77 -0.22 1.51 2.07 -1.87 0.17 116.25 119.34 1s5z h VAL 88 Ca 0.17 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 1s5z h VAL 88 Cb -0.02 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1s5z h VAL 88 CO -0.03 0.02 -0.21 0.00 0.02 0.00 0.00 177.57 177.37 1s5z h ALA 89 N 0.36 0.33 -0.62 1.67 0.00 -1.87 -3.13 119.26 116.00 1s5z h ALA 89 Ca -0.03 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1s5z h ALA 89 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1s5z h ALA 89 CO 0.06 0.27 0.38 1.03 0.00 0.00 0.00 179.25 180.99 1s5z h SER 90 N 0.23 0.62 -0.95 0.00 0.87 -1.21 -2.12 113.55 110.99 1s5z h SER 90 Ca 0.04 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 1s5z h SER 90 Cb 0.75 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.52 1s5z h SER 90 CO 0.05 0.44 0.61 0.00 -0.53 0.00 0.00 176.83 177.40 1s5z h ALA 91 N 1.26 1.31 0.00 6.23 0.00 -0.65 -0.86 119.26 126.56 1s5z h ALA 91 Ca 0.25 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1s5z h ALA 91 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1s5z h ALA 91 CO -0.10 0.40 -0.58 0.00 0.00 0.00 0.00 179.25 178.98 1s5z h ARG 92 N 1.12 0.00 -0.17 0.00 3.08 -1.42 -2.22 114.38 114.78 1s5z h ARG 92 Ca 0.41 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.35 1s5z h ARG 92 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1s5z h ARG 92 CO -0.17 0.58 -0.36 1.25 -1.07 0.00 0.00 179.97 180.20 1s5z h LEU 93 N 0.00 0.37 -0.71 3.04 5.85 -0.70 -0.73 115.31 122.42 1s5z h LEU 93 Ca -0.01 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1s5z h LEU 93 Cb 1.26 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1s5z h LEU 93 CO 0.07 0.71 -0.28 0.24 -0.34 0.00 0.00 178.44 178.84 1s5z h MET 94 N 0.30 0.00 0.23 1.25 2.86 -0.96 -3.18 114.93 115.43 1s5z h MET 94 Ca 0.03 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.36 1s5z h MET 94 Cb 0.78 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.48 1s5z h MET 94 CO 0.06 0.28 -1.38 0.82 1.06 0.00 0.00 176.91 177.75 1s5z h ILE 95 N 0.00 1.31 0.00 -1.22 2.04 -0.80 -0.68 117.51 118.16 1s5z h ILE 95 Ca -0.00 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.20 1s5z h ILE 95 Cb 0.94 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 40.08 1s5z h ILE 95 CO 0.04 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.59 1s5z n GLY 96 N 1.72 0.41 3.75 5.37 0.00 -0.34 -1.54 105.19 114.56 1s5z n GLY 96 Ca -0.17 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 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 2.22 0.25 1.61 -7.23 -1.26 -4.66 120.40 111.33 1s5z s VAL 97 Ca 0.00 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1s5z s VAL 97 Cb 0.00 -2.92 0.23 0.00 0.56 0.00 0.00 36.38 34.25 1s5z s VAL 97 CO 0.00 0.00 1.71 0.74 -0.31 0.00 0.00 175.10 177.24 1s5z h THR 98 N 1.40 0.57 -3.49 5.32 2.02 -1.98 -3.35 112.91 113.40 1s5z h THR 98 Ca -0.43 -0.13 -0.64 0.00 0.77 0.00 0.00 66.41 65.99 1s5z h THR 98 Cb 1.26 0.17 -0.14 0.00 -1.74 0.00 0.00 68.15 67.70 1s5z h THR 98 CO 0.70 0.07 0.32 0.21 0.37 0.00 0.00 175.52 177.18 1s5z s ASN 99 N -5.28 6.36 0.61 4.18 3.04 -1.26 -4.67 114.94 117.91 1s5z s ASN 99 Ca -0.12 -0.30 0.33 0.00 0.04 0.00 0.00 52.86 52.80 1s5z s ASN 99 Cb 0.21 -2.37 1.94 0.00 -1.54 0.00 0.00 41.25 39.49 1s5z s ASN 99 CO 0.76 -0.95 2.27 1.55 -3.04 0.00 0.00 177.10 177.69 1s5z h PRO 100 N 9.03 0.00 0.00 0.43 0.13 -1.85 -1.34 132.00 138.41 1s5z h PRO 100 Ca -0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.78 1s5z h PRO 100 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1s5z h PRO 100 CO 0.97 0.00 -0.46 -0.07 -0.23 0.00 0.00 178.00 178.21 1s5z h LEU 101 N 0.00 0.00 -1.26 1.56 3.38 -1.84 -2.62 115.31 114.53 1s5z h LEU 101 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s5z h LEU 101 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1s5z h LEU 101 CO -0.00 0.46 -0.04 0.00 0.09 0.00 0.00 178.44 178.95 1s5z n ALA 102 N -2.40 2.62 -1.94 1.53 0.00 -0.53 -4.90 120.51 114.89 1s5z n ALA 102 Ca -0.01 -0.53 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 1s5z n ALA 102 Cb 0.51 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.06 7.42 0.47 0.00 0.01 -0.99 -4.90 113.70 113.66 1s5z s SER 103 Ca 0.33 1.70 -0.21 0.00 1.31 0.00 0.00 55.95 59.08 1s5z s SER 103 Cb 0.20 -2.52 -0.08 0.00 0.21 0.00 0.00 66.02 63.83 1s5z s SER 103 CO 0.35 0.18 1.05 0.00 0.41 0.00 0.00 173.24 175.23 1s5z s ALA 104 N -1.19 2.92 0.51 1.44 0.00 -1.26 -4.39 121.76 119.79 1s5z s ALA 104 Ca 0.38 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1s5z s ALA 104 Cb -0.23 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1s5z s ALA 104 CO 0.27 -0.33 1.38 -2.30 0.00 0.00 0.00 175.76 174.78 1s5z n PRO 105 N -0.76 1.89 0.00 0.00 -0.02 -1.26 -1.93 135.00 132.93 1s5z n PRO 105 Ca 0.08 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1s5z n PRO 105 Cb 0.52 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1s5z n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5z n GLY 106 N 0.70 2.02 3.91 -1.23 0.00 -1.26 -4.97 105.19 104.36 1s5z n GLY 106 Ca 0.08 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.04 6.18 0.09 1.61 1.04 -0.81 -4.93 113.70 116.85 1s5z s SER 107 Ca 0.00 0.86 -0.23 0.00 0.48 0.00 0.00 55.95 57.06 1s5z s SER 107 Cb 0.00 -2.16 -0.15 0.00 0.10 0.00 0.00 66.02 63.81 1s5z s SER 107 CO 0.00 -0.61 1.72 0.40 0.98 0.00 0.00 173.24 175.73 1s5z h ILE 108 N 0.22 1.00 -0.02 -1.02 2.04 -1.08 -0.31 117.51 118.35 1s5z h ILE 108 Ca -0.47 -0.04 -0.13 0.00 1.00 0.00 0.00 64.86 65.22 1s5z h ILE 108 Cb 1.21 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1s5z h ILE 108 CO 0.61 0.01 -0.62 0.03 0.00 0.00 0.00 178.15 178.19 1s5z h ARG 109 N -0.03 0.06 -0.39 2.37 3.08 -1.55 -0.77 114.38 117.16 1s5z h ARG 109 Ca -0.00 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1s5z h ARG 109 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1s5z h ARG 109 CO 0.00 0.66 -0.09 0.78 -1.07 0.00 0.00 179.97 180.25 1s5z h GLY 110 N 1.75 0.71 1.20 0.04 0.00 -1.66 -0.79 103.07 104.33 1s5z h GLY 110 Ca -0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1s5z h GLY 110 CO 0.08 0.47 -1.30 -0.55 0.00 0.00 0.00 176.54 175.24 1s5z h ASP 111 N 0.61 0.00 0.00 0.19 3.32 -0.88 -3.42 116.42 116.24 1s5z h ASP 111 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1s5z h ASP 111 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1s5z h ASP 111 CO 0.03 0.67 -0.20 0.49 -1.72 0.00 0.00 179.24 178.50 1s5z n PHE 112 N -3.00 0.00 -4.25 4.55 3.72 -0.31 -5.08 117.46 113.09 1s5z n PHE 112 Ca -0.08 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 1s5z n PHE 112 Cb 0.87 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.34 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 -1.07 1.60 0.00 1.37 0.00 -0.31 -5.02 107.32 103.89 1s5z s GLY 113 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1s5z s GLY 113 CO 0.00 -1.64 0.00 3.33 0.00 0.00 0.00 173.10 174.79 1s5z n VAL 114 N -0.91 0.00 -3.75 1.40 0.24 -1.26 -4.36 118.33 109.69 1s5z n VAL 114 Ca -0.07 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.08 1s5z n VAL 114 Cb 0.58 1.84 -0.16 0.00 -1.47 0.00 0.00 33.84 34.64 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 0.00 0.17 0.56 -1.34 -1.08 -1.26 -4.72 116.67 109.00 1s5z s ASP 115 Ca 0.00 0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.40 1s5z s ASP 115 Cb 0.00 -0.03 1.66 0.00 -1.46 0.00 0.00 42.92 43.10 1s5z s ASP 115 CO 0.00 -0.15 2.19 1.62 0.52 0.00 0.00 175.17 179.35 1s5z h VAL 116 N 6.28 0.57 -0.00 1.11 3.04 -1.95 -0.29 116.25 125.01 1s5z h VAL 116 Ca -0.41 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1s5z h VAL 116 Cb 1.12 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1s5z h VAL 116 CO 0.43 0.05 -0.01 0.61 -1.01 0.00 0.00 177.57 177.64 1s5z n GLY 117 N -1.11 -1.49 2.22 3.17 0.00 -1.26 -3.77 105.19 102.96 1s5z n GLY 117 Ca -0.03 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.49 0.96 -0.73 1.61 5.12 -0.14 -4.97 116.66 117.03 1s5z n ARG 118 Ca 0.07 -3.40 -0.07 0.00 -1.93 0.00 0.00 57.85 52.52 1s5z n ARG 118 Cb 0.34 -1.45 0.19 0.00 -1.16 0.00 0.00 32.46 30.37 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 0.98 3.79 0.00 0.55 0.23 -1.11 -4.37 115.26 115.33 1s5z n ASN 119 Ca 0.23 -2.88 0.00 0.00 -0.53 0.00 0.00 54.58 51.40 1s5z n ASN 119 Cb 0.56 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 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 -0.16 0.00 -4.11 1.53 5.41 -1.26 -4.83 119.36 115.94 1s5z n ILE 120 Ca 0.31 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.96 1s5z n ILE 120 Cb 1.11 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.94 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 0.46 -0.03 1.39 2.07 -1.26 -0.95 121.20 122.87 1s5z s ILE 121 Ca 0.00 -1.72 0.06 0.00 -1.41 0.00 0.00 60.65 57.59 1s5z s ILE 121 Cb 0.00 -1.40 -0.01 0.00 0.13 0.00 0.00 42.46 41.18 1s5z s ILE 121 CO 0.00 -0.84 -0.22 -2.28 -1.91 0.00 0.00 174.94 169.70 1s5z s HIS 122 N -3.32 2.00 0.01 3.50 5.65 -0.22 -4.92 115.29 117.99 1s5z s HIS 122 Ca 0.06 -0.45 0.03 0.00 0.25 0.00 0.00 55.06 54.95 1s5z s HIS 122 Cb 0.03 -1.30 -0.01 0.00 -1.18 0.00 0.00 32.58 30.12 1s5z s HIS 122 CO -0.06 -0.09 -0.09 0.20 -0.65 0.00 0.00 174.74 174.05 1s5z s GLY 123 N -0.36 0.50 0.28 1.59 0.00 -1.26 -1.28 107.32 106.78 1s5z s GLY 123 Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 43.96 1s5z s GLY 123 CO 0.00 -0.46 1.41 1.44 0.00 0.00 0.00 173.10 175.49 1s5z n SER 124 N 2.50 2.96 -0.02 1.64 7.64 -0.66 -4.88 113.62 122.79 1s5z n SER 124 Ca -0.15 1.16 0.15 0.00 1.01 0.00 0.00 58.87 61.03 1s5z n SER 124 Cb 0.56 -1.47 0.70 0.00 -1.01 0.00 0.00 64.21 62.99 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 1.77 0.11 -3.61 6.43 5.68 -1.26 -4.86 116.55 120.82 1s5z n ASP 125 Ca 0.09 -0.16 -0.03 0.00 -0.50 0.00 0.00 54.79 54.19 1s5z n ASP 125 Cb 0.34 -0.25 -0.01 0.00 -1.14 0.00 0.00 41.12 40.05 1s5z n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s5z s SER 126 N -2.61 -0.16 0.23 -1.12 1.04 -1.26 -4.99 113.70 104.82 1s5z s SER 126 Ca 0.26 -0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.54 1s5z s SER 126 Cb 0.20 0.24 0.30 0.00 0.10 0.00 0.00 66.02 66.85 1s5z s SER 126 CO 0.48 -0.41 1.84 0.58 0.98 0.00 0.00 173.24 176.72 1s5z h VAL 127 N 2.00 1.04 0.02 5.02 2.07 -1.91 0.41 116.25 124.90 1s5z h VAL 127 Ca -0.19 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1s5z h VAL 127 Cb 1.20 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1s5z h VAL 127 CO 0.26 0.17 -0.04 -0.33 0.02 0.00 0.00 177.57 177.65 1s5z h GLU 128 N 0.91 -0.07 -0.26 1.57 3.07 -1.97 0.90 114.58 118.73 1s5z h GLU 128 Ca 0.35 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.13 1s5z h GLU 128 Cb 0.15 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1s5z h GLU 128 CO -0.17 -0.05 -0.20 0.77 -1.40 0.00 0.00 179.01 177.97 1s5z h SER 129 N -0.07 0.46 0.34 1.42 0.02 -1.83 -2.37 113.55 111.51 1s5z h SER 129 Ca 0.01 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1s5z h SER 129 Cb 0.08 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1s5z h SER 129 CO -0.02 0.67 -0.16 0.00 -1.14 0.00 0.00 176.83 176.17 1s5z h ALA 130 N 1.37 -0.46 -0.70 3.77 0.00 0.36 0.17 119.26 123.78 1s5z h ALA 130 Ca 0.07 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1s5z h ALA 130 Cb 0.59 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1s5z h ALA 130 CO 0.04 -0.75 0.46 -0.91 0.00 0.00 0.00 179.25 178.09 1s5z h ASN 131 N -0.49 0.68 -0.20 0.00 2.35 -0.72 -0.44 115.58 116.76 1s5z h ASN 131 Ca -0.05 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1s5z h ASN 131 Cb 0.37 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1s5z h ASN 131 CO 0.08 0.45 -0.18 -0.09 -1.65 0.00 0.00 177.43 176.04 1s5z h ARG 132 N 0.78 0.48 -0.24 0.81 2.43 -1.04 -2.93 114.38 114.66 1s5z h ARG 132 Ca 0.29 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1s5z h ARG 132 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1s5z h ARG 132 CO -0.09 0.81 -0.45 0.93 -1.51 0.00 0.00 179.97 179.67 1s5z h GLU 133 N 0.16 0.60 -0.22 0.20 5.08 -0.24 -2.43 114.58 117.73 1s5z h GLU 133 Ca 0.03 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1s5z h GLU 133 Cb 0.72 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1s5z h GLU 133 CO 0.05 0.93 0.13 0.82 -1.00 0.00 0.00 179.01 179.94 1s5z h ILE 134 N 0.49 1.08 0.00 3.13 2.04 -1.13 0.11 117.51 123.23 1s5z h ILE 134 Ca 0.03 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1s5z h ILE 134 Cb 0.97 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1s5z h ILE 134 CO 0.09 0.08 -0.17 0.00 0.00 0.00 0.00 178.15 178.15 1s5z h ALA 135 N 1.04 1.29 0.02 1.87 0.00 -1.48 0.43 119.26 122.43 1s5z h ALA 135 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1s5z h ALA 135 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1s5z h ALA 135 CO -0.02 0.21 -0.01 1.25 0.00 0.00 0.00 179.25 180.69 1s5z h LEU 136 N 0.00 -0.02 -0.15 0.00 6.46 -0.83 -3.38 115.31 117.39 1s5z h LEU 136 Ca -0.00 -0.71 -0.19 0.00 -0.12 0.00 0.00 57.88 56.86 1s5z h LEU 136 Cb 0.43 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 1s5z h LEU 136 CO 0.02 0.80 -0.91 -0.50 -0.62 0.00 0.00 178.44 177.23 1s5z h TRP 137 N -0.94 0.00 -3.90 1.25 4.06 -0.76 -3.46 115.95 112.19 1s5z h TRP 137 Ca -0.00 0.00 -0.69 0.00 2.06 0.00 0.00 58.89 60.26 1s5z h TRP 137 Cb 0.73 0.00 -0.22 0.00 -1.00 0.00 0.00 29.16 28.67 1s5z h TRP 137 CO 0.19 0.91 -0.86 -0.06 -3.56 0.00 0.00 178.44 175.06 1s5z s PHE 138 N -2.89 2.35 0.13 0.49 0.40 0.13 -5.09 117.98 113.50 1s5z s PHE 138 Ca 0.01 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 55.90 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 0.81 0.34 0.41 0.15 0.70 0.00 0.00 175.22 177.62 1s5z s LYS 139 N -2.03 3.69 0.37 0.44 -0.14 -1.26 -4.47 119.74 116.35 1s5z s LYS 139 Ca 0.15 0.06 0.17 0.00 -1.36 0.00 0.00 55.97 54.98 1s5z s LYS 139 Cb -0.10 -2.87 1.09 0.00 -1.68 0.00 0.00 37.83 34.27 1s5z s LYS 139 CO 0.06 0.48 1.71 -1.35 -0.76 0.00 0.00 175.35 175.50 1s5z h PRO 140 N 3.10 0.37 0.00 -1.68 0.11 -1.94 0.11 132.00 132.07 1s5z h PRO 140 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s5z h PRO 140 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1s5z h PRO 140 CO 0.70 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 1s5z n GLU 141 N -4.81 0.07 -0.11 1.05 4.71 -1.26 -2.46 120.64 117.83 1s5z n GLU 141 Ca 0.29 0.29 0.12 0.00 -0.01 0.00 0.00 57.16 57.84 1s5z n GLU 141 Cb 0.95 -1.62 0.28 0.00 -1.01 0.00 0.00 31.44 30.05 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 -1.74 2.12 -5.02 3.49 1.02 0.38 -4.88 120.64 116.01 1s5z n GLU 142 Ca 0.03 -1.68 -0.32 0.00 -0.02 0.00 0.00 57.16 55.17 1s5z n GLU 142 Cb 0.20 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.62 2.41 0.57 -4.62 1.43 -1.03 -4.46 118.68 111.36 1s5z s LEU 143 Ca 0.35 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 1s5z s LEU 143 Cb 0.20 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1s5z s LEU 143 CO 0.29 0.21 1.36 0.18 0.23 0.00 0.00 176.35 178.62 1s5z n LEU 144 N 3.21 5.72 -0.02 1.79 4.77 0.23 -4.92 117.00 127.78 1s5z n LEU 144 Ca -0.18 0.95 0.02 0.00 -0.03 0.00 0.00 56.01 56.76 1s5z n LEU 144 Cb 0.53 -1.58 -0.09 0.00 -2.33 0.00 0.00 43.42 39.95 1s5z n LEU 144 CO 0.28 -0.64 -0.71 0.41 -1.33 0.00 0.00 177.39 175.40 1s5z n THR 145 N -1.23 0.27 -3.95 -5.08 -1.04 -1.26 -4.87 114.28 97.12 1s5z n THR 145 Ca 0.12 -0.33 -0.34 0.00 -2.04 0.00 0.00 64.05 61.45 1s5z n THR 145 Cb 0.45 -0.11 -0.14 0.00 -1.82 0.00 0.00 70.33 68.71 1s5z n THR 145 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1s5z s GLU 146 N -2.60 2.53 0.00 -2.82 2.12 -1.26 -5.03 118.70 111.64 1s5z s GLU 146 Ca -0.05 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.10 1s5z s GLU 146 Cb 0.06 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1s5z s GLU 146 CO 0.46 -0.55 0.00 1.55 -0.54 0.00 0.00 175.26 176.19 1s5z n VAL 147 N 4.61 0.00 -2.51 3.70 3.14 -1.26 -5.11 118.33 120.90 1s5z n VAL 147 Ca -0.14 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.19 1s5z n VAL 147 Cb 0.44 -0.58 -0.04 0.00 -1.06 0.00 0.00 33.84 32.60 1s5z n VAL 147 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1s5z n LYS 148 N -0.50 -4.49 -1.91 1.45 4.76 -1.26 -5.04 118.16 111.17 1s5z n LYS 148 Ca 0.00 3.38 -0.25 0.00 -2.87 0.00 0.00 58.31 58.57 1s5z n LYS 148 Cb 0.00 -4.86 0.17 0.00 -1.84 0.00 0.00 35.03 28.49 1s5z n LYS 148 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1s5z n PRO 149 N 1.65 -0.89 -1.64 1.97 -0.04 -1.26 -4.96 135.00 129.83 1s5z n PRO 149 Ca -0.37 -2.04 -0.50 0.00 -0.04 0.00 0.00 63.50 60.55 1s5z n PRO 149 Cb 0.57 -1.08 -0.05 0.00 -0.04 0.00 0.00 33.50 32.90 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 -3.56 2.41 0.00 3.54 5.15 -1.26 -4.80 115.26 116.75 1s5z n ASN 150 Ca 0.15 1.09 0.03 0.00 -0.60 0.00 0.00 54.58 55.25 1s5z n ASN 150 Cb 0.53 -1.29 0.13 0.00 -0.53 0.00 0.00 39.78 38.62 1s5z n ASN 150 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1s5z n PRO 151 N 3.52 0.05 -0.23 1.20 -0.04 -1.26 -1.70 135.00 136.54 1s5z n PRO 151 Ca 0.19 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 1s5z n PRO 151 Cb 0.23 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.37 3.34 -0.03 3.54 3.02 -1.26 -4.40 115.26 118.10 1s5z n ASN 152 Ca 0.02 -1.97 -0.17 0.00 -0.03 0.00 0.00 54.58 52.43 1s5z n ASN 152 Cb 0.05 -0.31 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.38 2.15 -4.38 3.41 4.77 -0.69 -4.96 117.00 118.68 1s5z n LEU 153 Ca 0.20 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 56.03 1s5z n LEU 153 Cb 0.57 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.81 1s5z n LEU 153 CO 0.15 0.75 -0.51 -0.31 -1.33 0.00 0.00 177.39 176.14 1s5z s TYR 154 N -2.55 2.54 -2.00 -1.77 2.02 -1.26 -5.13 117.35 109.19 1s5z s TYR 154 Ca -0.20 -0.39 0.17 0.00 -0.37 0.00 0.00 57.07 56.28 1s5z s TYR 154 Cb 0.07 -1.60 1.04 0.00 -0.40 0.00 0.00 41.96 41.07 1s5z s TYR 154 CO 0.75 0.01 1.44 -1.91 -1.57 0.00 0.00 175.55 174.27