#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 0.15 -0.97 6.55 3.02 -1.26 -3.33 115.26 119.42 1s5z n ASN 7 Ca 0.00 -1.93 0.12 0.00 -0.03 0.00 0.00 54.58 52.74 1s5z n ASN 7 Cb 0.00 -0.08 0.12 0.00 -0.61 0.00 0.00 39.78 39.22 1s5z n ASN 7 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1s5z n LYS 8 N -0.42 2.27 -1.66 3.52 3.00 -1.26 -3.61 118.16 119.99 1s5z n LYS 8 Ca 0.00 -1.97 -0.40 0.00 -0.00 0.00 0.00 58.31 55.94 1s5z n LYS 8 Cb 0.04 -1.46 0.02 0.00 0.00 0.00 0.00 35.03 33.63 1s5z n LYS 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1s5z n GLU 9 N 1.34 1.58 -4.23 1.64 2.13 -1.21 -4.67 120.64 117.22 1s5z n GLU 9 Ca 0.15 0.57 -0.19 0.00 0.66 0.00 0.00 57.16 58.35 1s5z n GLU 9 Cb 0.58 -2.27 -0.11 0.00 0.27 0.00 0.00 31.44 29.91 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 -2.29 0.98 0.04 5.31 0.52 -1.26 -1.13 118.95 121.11 1s5z s ARG 10 Ca 0.65 -1.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1s5z s ARG 10 Cb -0.50 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.01 1s5z s ARG 10 CO 0.55 0.19 -0.05 -0.08 0.02 0.00 0.00 175.30 175.94 1s5z s THR 11 N -1.80 0.29 -0.20 0.02 -1.32 -0.59 -4.72 115.64 107.32 1s5z s THR 11 Ca 0.06 -1.14 -0.10 0.00 -1.21 0.00 0.00 61.69 59.30 1s5z s THR 11 Cb -0.07 -0.62 -0.05 0.00 -1.51 0.00 0.00 72.50 70.25 1s5z s THR 11 CO 0.03 -0.55 0.12 0.12 -2.21 0.00 0.00 174.62 172.13 1s5z s PHE 12 N -1.89 3.39 0.02 9.09 2.19 -1.26 -1.96 117.98 127.55 1s5z s PHE 12 Ca -0.09 0.29 0.05 0.00 0.33 0.00 0.00 56.93 57.51 1s5z s PHE 12 Cb -0.07 -2.15 -0.02 0.00 -1.31 0.00 0.00 43.02 39.47 1s5z s PHE 12 CO -0.02 0.27 -0.17 -0.51 1.83 0.00 0.00 175.22 176.62 1s5z s LEU 13 N 0.37 2.11 -0.06 6.12 1.43 0.02 -2.14 118.68 126.53 1s5z s LEU 13 Ca 0.07 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 1s5z s LEU 13 Cb -0.11 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1s5z s LEU 13 CO -0.02 0.14 0.12 0.00 0.23 0.00 0.00 176.35 176.82 1s5z s ALA 14 N -0.62 -0.09 -0.42 4.21 0.00 -0.65 -0.16 121.76 124.03 1s5z s ALA 14 Ca 0.05 0.50 -0.26 0.00 0.00 0.00 0.00 51.96 52.25 1s5z s ALA 14 Cb -0.07 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.48 1s5z s ALA 14 CO 0.01 -0.36 0.96 0.08 0.00 0.00 0.00 175.76 176.44 1s5z s VAL 15 N 1.76 4.49 0.96 0.00 1.01 0.40 -1.11 120.40 127.91 1s5z s VAL 15 Ca -0.02 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 1s5z s VAL 15 Cb -0.12 -4.41 0.16 0.00 0.00 0.00 0.00 36.38 32.01 1s5z s VAL 15 CO -0.05 -0.72 1.10 -0.54 0.00 0.00 0.00 175.10 174.89 1s5z s LYS 16 N 3.72 0.76 0.41 2.72 1.02 -0.66 -1.58 119.74 126.14 1s5z s LYS 16 Ca 0.39 0.52 0.25 0.00 0.02 0.00 0.00 55.97 57.16 1s5z s LYS 16 Cb -0.11 -1.78 1.31 0.00 -0.52 0.00 0.00 37.83 36.74 1s5z s LYS 16 CO 0.24 -2.51 1.65 -1.35 -0.92 0.00 0.00 175.35 172.46 1s5z h PRO 17 N -1.73 0.17 -0.17 -1.68 0.11 -1.84 -0.07 132.00 126.78 1s5z h PRO 17 Ca -0.53 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.38 1s5z h PRO 17 Cb 1.32 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1s5z h PRO 17 CO 0.58 0.11 -0.64 0.38 -0.21 0.00 0.00 178.00 178.22 1s5z h ASP 18 N 0.17 0.86 -0.63 -2.05 2.03 -1.88 -1.74 116.42 113.18 1s5z h ASP 18 Ca 0.77 -0.61 -0.03 0.00 -0.73 0.00 0.00 57.03 56.43 1s5z h ASP 18 Cb 2.22 -0.25 -0.03 0.00 -0.83 0.00 0.00 39.33 40.44 1s5z h ASP 18 CO -0.44 1.32 0.29 1.23 -1.03 0.00 0.00 179.24 180.61 1s5z h GLY 19 N 0.45 0.99 0.71 7.15 0.00 -1.17 -1.54 103.07 109.66 1s5z h GLY 19 Ca -0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1s5z h GLY 19 CO 0.13 0.48 0.00 -2.08 0.00 0.00 0.00 176.54 175.07 1s5z h VAL 20 N 0.87 1.23 -0.02 4.60 2.07 -1.36 -2.00 116.25 121.64 1s5z h VAL 20 Ca 0.21 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1s5z h VAL 20 Cb 0.15 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1s5z h VAL 20 CO -0.02 0.18 0.01 0.00 0.02 0.00 0.00 177.57 177.76 1s5z h ALA 21 N 0.71 1.88 -0.38 1.67 0.00 -1.22 -1.36 119.26 120.57 1s5z h ALA 21 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s5z h ALA 21 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1s5z h ALA 21 CO 0.00 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.77 1s5z n ARG 22 N -4.33 1.96 -3.15 0.00 1.74 -0.59 -4.95 116.66 107.34 1s5z n ARG 22 Ca -0.03 -1.49 -0.14 0.00 -0.77 0.00 0.00 57.85 55.42 1s5z n ARG 22 Cb 0.10 -1.35 0.07 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.18 -0.19 0.45 -0.13 0.00 -0.51 -4.96 105.19 101.03 1s5z n GLY 23 Ca 0.15 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.53 2.48 0.27 0.99 4.77 -0.76 -4.75 117.00 116.46 1s5z n LEU 24 Ca -0.19 -1.79 -0.16 0.00 -0.03 0.00 0.00 56.01 53.85 1s5z n LEU 24 Cb 0.62 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1s5z n LEU 24 CO 0.48 0.60 0.70 0.58 -1.33 0.00 0.00 177.39 178.43 1s5z h VAL 25 N 1.54 0.54 -0.46 4.08 2.07 -1.88 -1.64 116.25 120.51 1s5z h VAL 25 Ca 0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1s5z h VAL 25 Cb 0.60 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1s5z h VAL 25 CO 0.00 0.01 0.21 1.23 0.02 0.00 0.00 177.57 179.04 1s5z h GLY 26 N -0.65 0.71 0.39 2.17 0.00 -1.98 -1.14 103.07 102.56 1s5z h GLY 26 Ca -0.06 -0.36 0.07 0.00 0.00 0.00 0.00 47.33 46.98 1s5z h GLY 26 CO 0.11 0.34 0.04 -2.09 0.00 0.00 0.00 176.54 174.93 1s5z h GLU 27 N 0.59 0.15 -0.01 4.80 4.57 -1.85 0.12 114.58 122.94 1s5z h GLU 27 Ca 0.16 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1s5z h GLU 27 Cb 0.13 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1s5z h GLU 27 CO -0.02 0.10 -0.00 0.82 -1.18 0.00 0.00 179.01 178.73 1s5z h ILE 28 N 0.15 1.26 -0.94 2.32 5.03 -1.10 -2.57 117.51 121.66 1s5z h ILE 28 Ca 0.21 -0.77 0.06 0.00 -0.12 0.00 0.00 64.86 64.24 1s5z h ILE 28 Cb 0.28 1.75 -0.06 0.00 -3.03 0.00 0.00 36.82 35.76 1s5z h ILE 28 CO -0.31 0.20 0.60 0.40 -0.68 0.00 0.00 178.15 178.36 1s5z h ILE 29 N -0.29 1.08 -0.95 -0.67 2.04 -0.99 -2.25 117.51 115.48 1s5z h ILE 29 Ca 0.00 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1s5z h ILE 29 Cb 0.33 -0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 1s5z h ILE 29 CO 0.00 0.20 0.62 0.00 0.00 0.00 0.00 178.15 178.97 1s5z h ALA 30 N 1.43 1.21 -0.69 1.87 0.00 -0.65 -1.32 119.26 121.10 1s5z h ALA 30 Ca 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1s5z h ALA 30 Cb 0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1s5z h ALA 30 CO -0.17 0.62 0.38 0.00 0.00 0.00 0.00 179.25 180.08 1s5z h ARG 31 N 1.30 0.96 -0.24 0.00 3.08 -0.99 0.36 114.38 118.84 1s5z h ARG 31 Ca 0.35 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 1s5z h ARG 31 Cb -0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 1s5z h ARG 31 CO -0.07 0.72 -0.47 1.88 -1.07 0.00 0.00 179.97 180.95 1s5z h TYR 32 N 0.94 0.78 -0.35 3.04 0.05 -1.28 -2.10 116.97 118.04 1s5z h TYR 32 Ca 0.24 -0.25 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1s5z h TYR 32 Cb 0.03 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1s5z h TYR 32 CO -0.01 0.99 0.08 0.93 -1.05 0.00 0.00 178.16 179.11 1s5z h GLU 33 N 0.51 0.57 -0.27 4.88 5.08 -0.93 -2.47 114.58 121.94 1s5z h GLU 33 Ca 0.03 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1s5z h GLU 33 Cb 1.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1s5z h GLU 33 CO 0.09 0.62 -0.02 0.87 -1.00 0.00 0.00 179.01 179.57 1s5z h LYS 34 N 0.42 0.42 -0.09 2.33 1.57 -0.89 -1.77 116.57 118.57 1s5z h LYS 34 Ca 0.11 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1s5z h LYS 34 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1s5z h LYS 34 CO 0.00 0.47 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.00 1s5z h LYS 35 N 0.40 0.13 0.00 3.15 1.63 -1.11 -3.46 116.57 117.31 1s5z h LYS 35 Ca 0.09 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1s5z h LYS 35 Cb 0.31 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1s5z h LYS 35 CO 0.01 0.27 0.00 0.41 -3.45 0.00 0.00 179.45 176.69 1s5z n GLY 36 N -1.01 1.12 3.78 5.01 0.00 -0.66 -5.11 105.19 108.32 1s5z n GLY 36 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.03 -0.17 1.61 0.08 -0.96 -4.85 117.98 114.73 1s5z s PHE 37 Ca 0.00 1.59 -0.09 0.00 0.12 0.00 0.00 56.93 58.55 1s5z s PHE 37 Cb 0.00 -3.20 -0.05 0.00 -0.57 0.00 0.00 43.02 39.20 1s5z s PHE 37 CO 0.00 -1.03 0.13 0.08 -0.10 0.00 0.00 175.22 174.31 1s5z s VAL 38 N -1.71 5.44 -0.28 -0.44 1.01 -0.61 -4.35 120.40 119.46 1s5z s VAL 38 Ca 0.63 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 1s5z s VAL 38 Cb -0.23 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1s5z s VAL 38 CO 0.28 0.51 1.16 -0.22 0.00 0.00 0.00 175.10 176.84 1s5z s LEU 39 N -0.21 3.97 0.00 3.92 2.96 -1.26 -0.55 118.68 127.51 1s5z s LEU 39 Ca 0.11 1.22 0.12 0.00 -0.22 0.00 0.00 54.13 55.36 1s5z s LEU 39 Cb -0.11 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.13 1s5z s LEU 39 CO 0.00 -0.90 0.88 1.33 -1.32 0.00 0.00 176.35 176.35 1s5z n VAL 40 N 5.84 0.00 -3.59 1.68 0.24 0.33 -4.93 118.33 117.89 1s5z n VAL 40 Ca 0.13 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 1s5z n VAL 40 Cb 0.46 1.25 -0.06 0.00 -1.47 0.00 0.00 33.84 34.02 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 -1.01 -0.34 -0.28 7.63 0.00 -1.16 -1.31 107.32 110.83 1s5z s GLY 41 Ca 0.14 2.07 -0.23 0.00 0.00 0.00 0.00 44.72 46.70 1s5z s GLY 41 CO 0.15 1.37 1.05 -2.27 0.00 0.00 0.00 173.10 173.41 1s5z s LEU 42 N -0.48 -0.43 -0.26 0.66 2.96 -1.26 -1.72 118.68 118.15 1s5z s LEU 42 Ca -0.02 0.79 -0.28 0.00 -0.22 0.00 0.00 54.13 54.40 1s5z s LEU 42 Cb -0.02 1.79 0.18 0.00 0.50 0.00 0.00 46.19 48.63 1s5z s LEU 42 CO 0.01 -0.13 1.29 -1.59 -1.32 0.00 0.00 176.35 174.61 1s5z s LYS 43 N 0.46 0.17 -0.12 1.98 -2.85 -0.65 -5.01 119.74 113.73 1s5z s LYS 43 Ca 0.01 0.07 -0.06 0.00 -1.00 0.00 0.00 55.97 54.99 1s5z s LYS 43 Cb -0.05 0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.77 1s5z s LYS 43 CO -0.09 -0.05 0.12 -1.14 0.10 0.00 0.00 175.35 174.29 1s5z s GLN 44 N -0.81 3.39 0.18 1.78 0.74 -1.26 -0.98 119.66 122.70 1s5z s GLN 44 Ca 0.06 -0.18 -0.21 0.00 0.05 0.00 0.00 55.36 55.08 1s5z s GLN 44 Cb -0.02 -3.13 0.05 0.00 1.10 0.00 0.00 33.01 31.02 1s5z s GLN 44 CO -0.07 0.75 0.59 -0.48 -0.55 0.00 0.00 175.29 175.52 1s5z s LEU 45 N -0.95 -0.36 -0.41 3.68 2.34 -0.09 -4.96 118.68 117.94 1s5z s LEU 45 Ca 0.14 -0.18 -0.11 0.00 0.06 0.00 0.00 54.13 54.05 1s5z s LEU 45 Cb -0.12 2.50 0.06 0.00 -0.56 0.00 0.00 46.19 48.07 1s5z s LEU 45 CO 0.03 -1.03 0.26 -0.69 -1.06 0.00 0.00 176.35 173.87 1s5z s VAL 46 N -3.80 4.48 0.44 1.48 1.01 -1.26 0.29 120.40 123.05 1s5z s VAL 46 Ca 0.04 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.61 1s5z s VAL 46 Cb -0.02 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1s5z s VAL 46 CO -0.09 -0.42 1.13 -2.65 0.00 0.00 0.00 175.10 173.07 1s5z n PRO 47 N 4.98 1.55 -2.43 2.72 -0.02 -1.26 -5.00 135.00 135.55 1s5z n PRO 47 Ca -0.11 0.56 -0.26 0.00 -2.02 0.00 0.00 63.50 61.66 1s5z n PRO 47 Cb 0.44 -2.22 0.03 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.27 3.70 0.14 3.45 -4.23 -1.26 -4.59 115.64 111.58 1s5z s THR 48 Ca 0.64 -0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.93 1s5z s THR 48 Cb -0.52 -3.46 -0.00 0.00 1.34 0.00 0.00 72.50 69.86 1s5z s THR 48 CO 0.56 -0.47 1.69 0.50 -0.54 0.00 0.00 174.62 176.36 1s5z h LYS 49 N -0.14 -0.03 -0.36 3.99 3.11 -1.94 -1.22 116.57 119.98 1s5z h LYS 49 Ca -0.45 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.37 1s5z h LYS 49 Cb 1.25 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.47 1s5z h LYS 49 CO 0.60 -0.02 0.17 -0.44 -2.81 0.00 0.00 179.45 176.96 1s5z h ASP 50 N -0.03 0.48 -0.37 4.20 3.32 -1.98 -0.19 116.42 121.85 1s5z h ASP 50 Ca 0.12 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.10 1s5z h ASP 50 Cb 0.20 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 1s5z h ASP 50 CO -0.25 0.49 0.01 0.25 -1.72 0.00 0.00 179.24 178.01 1s5z h LEU 51 N 0.45 -0.13 -0.06 1.55 5.85 -1.87 -0.47 115.31 120.62 1s5z h LEU 51 Ca 0.12 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1s5z h LEU 51 Cb 0.14 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1s5z h LEU 51 CO -0.01 -0.03 0.04 0.00 -0.34 0.00 0.00 178.44 178.10 1s5z h ALA 52 N 1.32 0.08 -0.18 1.25 0.00 -0.92 -0.38 119.26 120.42 1s5z h ALA 52 Ca 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1s5z h ALA 52 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1s5z h ALA 52 CO -0.29 -0.42 0.12 0.93 0.00 0.00 0.00 179.25 179.59 1s5z h GLU 53 N 0.07 0.20 -0.04 0.00 5.08 -0.56 -1.05 114.58 118.28 1s5z h GLU 53 Ca 0.02 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1s5z h GLU 53 Cb 0.01 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1s5z h GLU 53 CO -0.00 0.13 -0.34 0.77 -1.00 0.00 0.00 179.01 178.57 1s5z h SER 54 N 0.21 0.36 -0.45 1.42 0.02 -0.68 -1.62 113.55 112.81 1s5z h SER 54 Ca 0.07 -0.70 0.08 0.00 -0.84 0.00 0.00 61.79 60.39 1s5z h SER 54 Cb 0.03 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 1s5z h SER 54 CO -0.01 1.01 0.07 -0.74 -1.14 0.00 0.00 176.83 176.02 1s5z h HIS 55 N -0.26 0.12 -0.49 3.45 -0.00 -0.37 -1.57 115.15 116.03 1s5z h HIS 55 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1s5z h HIS 55 Cb 1.03 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 1s5z h HIS 55 CO 0.15 -0.01 0.00 0.66 -0.00 0.00 0.00 177.93 178.72 1s5z n TYR 56 N -5.12 1.74 -0.39 5.26 4.01 -0.46 -4.63 117.16 117.56 1s5z n TYR 56 Ca 0.04 -0.61 0.31 0.00 -0.16 0.00 0.00 57.90 57.48 1s5z n TYR 56 Cb 0.22 -0.44 0.59 0.00 -0.31 0.00 0.00 39.34 39.40 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 3.70 2.51 0.00 -0.72 0.00 -0.25 0.24 119.26 124.75 1s5z h ALA 57 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s5z h ALA 57 Cb 1.73 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1s5z h ALA 57 CO 0.41 -1.05 0.00 1.05 0.00 0.00 0.00 179.25 179.66 1s5z h GLU 58 N 0.21 0.00 -0.43 0.00 4.11 -1.83 -2.19 114.58 114.45 1s5z h GLU 58 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.16 1s5z h GLU 58 Cb 2.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1s5z h GLU 58 CO -0.38 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.42 1s5z n HIS 59 N -2.92 0.61 0.33 2.06 8.25 0.84 -4.66 115.22 119.72 1s5z n HIS 59 Ca -0.01 -0.52 0.13 0.00 -0.26 0.00 0.00 57.72 57.06 1s5z n HIS 59 Cb 0.15 -0.04 0.70 0.00 1.12 0.00 0.00 29.99 31.92 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 2.52 0.00 0.00 -0.41 2.10 -1.37 -0.36 116.57 119.04 1s5z h LYS 60 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1s5z h LYS 60 Cb 0.82 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.14 1s5z h LYS 60 CO 0.01 0.00 -1.90 0.39 -2.00 0.00 0.00 179.45 175.95 1s5z n GLU 61 N -2.80 0.66 -2.83 0.07 -0.58 -1.26 -4.95 120.64 108.94 1s5z n GLU 61 Ca -0.02 -0.08 -0.40 0.00 -0.42 0.00 0.00 57.16 56.24 1s5z n GLU 61 Cb 0.46 -1.59 -0.05 0.00 -0.57 0.00 0.00 31.44 29.69 1s5z n GLU 61 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1s5z s ARG 62 N -3.23 4.69 0.44 3.49 0.52 -0.15 -4.96 118.95 119.75 1s5z s ARG 62 Ca -0.07 1.34 0.28 0.00 -0.52 0.00 0.00 55.73 56.76 1s5z s ARG 62 Cb 0.11 -3.32 1.35 0.00 0.52 0.00 0.00 34.95 33.61 1s5z s ARG 62 CO 0.87 0.40 1.69 -1.35 0.02 0.00 0.00 175.30 176.93 1s5z h PRO 63 N 4.87 0.17 0.00 3.54 0.11 -1.93 0.10 132.00 138.86 1s5z h PRO 63 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s5z h PRO 63 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1s5z h PRO 63 CO 0.69 0.11 0.00 1.97 -0.21 0.00 0.00 178.00 180.56 1s5z n PHE 64 N -4.57 0.00 -0.24 0.65 1.16 -1.26 -3.84 117.46 109.36 1s5z n PHE 64 Ca 0.32 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.93 1s5z n PHE 64 Cb 1.26 -0.45 0.15 0.00 -1.61 0.00 0.00 39.48 38.84 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 0.00 0.45 -0.83 2.97 3.04 -0.99 -0.61 116.94 120.97 1s5z h PHE 65 Ca 0.00 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.01 1s5z h PHE 65 Cb 0.43 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.80 1s5z h PHE 65 CO 0.00 0.07 0.55 0.78 -2.02 0.00 0.00 178.31 177.69 1s5z h GLY 66 N 0.42 1.18 0.74 2.40 0.00 -1.78 -2.24 103.07 103.79 1s5z h GLY 66 Ca 0.37 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1s5z h GLY 66 CO -0.37 0.38 -0.01 -1.33 0.00 0.00 0.00 176.54 175.21 1s5z h GLY 67 N 1.06 0.17 0.86 4.60 0.00 -1.38 -2.28 103.07 106.11 1s5z h GLY 67 Ca 0.32 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.59 1s5z h GLY 67 CO -0.09 0.12 0.57 1.41 0.00 0.00 0.00 176.54 178.55 1s5z h LEU 68 N -0.13 0.84 -0.22 3.11 3.38 -1.09 -1.43 115.31 119.78 1s5z h LEU 68 Ca 0.02 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1s5z h LEU 68 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1s5z h LEU 68 CO 0.01 0.53 -0.28 0.58 0.09 0.00 0.00 178.44 179.37 1s5z h VAL 69 N 0.95 1.33 -0.64 1.22 2.07 -1.34 -2.69 116.25 117.14 1s5z h VAL 69 Ca 0.38 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1s5z h VAL 69 Cb 0.25 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1s5z h VAL 69 CO -0.14 0.46 0.12 -1.28 0.02 0.00 0.00 177.57 176.74 1s5z h SER 70 N 0.26 1.00 -0.22 0.57 0.87 -1.02 -2.90 113.55 112.11 1s5z h SER 70 Ca 0.03 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.23 1s5z h SER 70 Cb 0.85 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1s5z h SER 70 CO 0.07 0.99 -0.29 0.15 -0.53 0.00 0.00 176.83 177.22 1s5z h PHE 71 N 0.96 0.71 0.00 2.24 3.57 -1.31 -2.53 116.94 120.59 1s5z h PHE 71 Ca 0.20 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1s5z h PHE 71 Cb 0.41 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1s5z h PHE 71 CO 0.03 0.95 0.00 0.97 -2.23 0.00 0.00 178.31 178.03 1s5z h ILE 72 N 0.26 0.00 -0.46 1.41 2.10 -1.50 -1.71 117.51 117.62 1s5z h ILE 72 Ca 0.03 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.69 1s5z h ILE 72 Cb 0.86 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1s5z h ILE 72 CO 0.07 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.49 1s5z n THR 73 N -2.41 0.87 0.80 2.19 -2.24 -1.10 -4.29 114.28 108.10 1s5z n THR 73 Ca 0.02 -0.93 0.13 0.00 -2.27 0.00 0.00 64.05 60.99 1s5z n THR 73 Cb 0.24 0.61 0.36 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.01 0.49 -2.49 3.42 3.41 -0.64 -4.81 113.62 114.02 1s5z n SER 74 Ca 0.16 0.23 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 1s5z n SER 74 Cb 0.50 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.41 0.93 3.76 5.00 0.00 -1.26 -5.11 105.19 109.93 1s5z n GLY 75 Ca 0.05 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.04 3.68 0.01 1.61 0.04 -1.26 -4.48 135.00 132.56 1s5z s PRO 76 Ca 0.15 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.30 1s5z s PRO 76 Cb -0.02 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1s5z s PRO 76 CO 0.05 -0.70 -0.16 0.08 0.04 0.00 0.00 177.00 176.31 1s5z s VAL 77 N -1.36 1.25 -0.40 -0.36 1.01 0.15 -3.81 120.40 116.88 1s5z s VAL 77 Ca 0.63 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1s5z s VAL 77 Cb -0.36 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.01 1s5z s VAL 77 CO 0.44 0.21 0.22 -0.69 0.00 0.00 0.00 175.10 175.28 1s5z s VAL 78 N -0.60 4.12 0.10 2.92 1.01 -0.61 -0.91 120.40 126.43 1s5z s VAL 78 Ca 0.05 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 1s5z s VAL 78 Cb -0.07 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1s5z s VAL 78 CO 0.00 -0.42 0.48 0.00 0.00 0.00 0.00 175.10 175.16 1s5z s ALA 79 N 1.42 3.65 0.15 5.51 0.00 -0.16 -0.45 121.76 131.88 1s5z s ALA 79 Ca 0.02 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1s5z s ALA 79 Cb -0.22 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.53 1s5z s ALA 79 CO 0.02 0.50 0.46 0.00 0.00 0.00 0.00 175.76 176.74 1s5z s MET 80 N -1.80 1.18 -0.07 0.00 0.23 0.78 -1.64 119.30 117.97 1s5z s MET 80 Ca 0.34 -0.71 0.01 0.00 -1.03 0.00 0.00 55.69 54.30 1s5z s MET 80 Cb -0.15 0.50 0.02 0.00 -1.53 0.00 0.00 34.83 33.67 1s5z s MET 80 CO 0.18 -0.48 -0.09 0.08 -2.03 0.00 0.00 175.02 172.68 1s5z s VAL 81 N -3.81 0.96 0.06 5.16 1.01 -0.70 -0.80 120.40 122.28 1s5z s VAL 81 Ca 0.04 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.75 1s5z s VAL 81 Cb 0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1s5z s VAL 81 CO -0.10 0.33 -0.19 -0.36 0.00 0.00 0.00 175.10 174.78 1s5z s PHE 82 N 0.97 2.52 -0.02 5.22 0.08 -0.83 -0.51 117.98 125.41 1s5z s PHE 82 Ca -0.09 -0.28 0.07 0.00 0.12 0.00 0.00 56.93 56.75 1s5z s PHE 82 Cb -0.15 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1s5z s PHE 82 CO 0.00 0.28 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.19 1s5z s GLU 83 N -1.62 1.75 0.00 0.44 2.12 0.28 -1.55 118.70 120.14 1s5z s GLU 83 Ca 0.15 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.71 1s5z s GLU 83 Cb -0.10 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.60 1s5z s GLU 83 CO 0.06 0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 1s5z n GLY 84 N 2.57 1.60 3.72 -1.50 0.00 -0.29 -1.57 105.19 109.72 1s5z n GLY 84 Ca -0.15 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.86 1.61 2.20 -1.25 -2.44 119.74 121.15 1s5z s LYS 85 Ca 0.00 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 1s5z s LYS 85 Cb 0.00 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1s5z s LYS 85 CO 0.00 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 1s5z n GLY 86 N 3.82 -0.09 0.38 5.54 0.00 -1.26 -4.83 105.19 108.75 1s5z n GLY 86 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 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 0.81 0.54 1.61 3.04 -1.77 -1.60 116.25 118.89 1s5z h VAL 87 Ca -0.21 -0.20 -0.02 0.00 -1.01 0.00 0.00 66.70 65.26 1s5z h VAL 87 Cb 1.00 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.45 1s5z h VAL 87 CO 0.27 0.11 -0.44 0.58 -1.01 0.00 0.00 177.57 177.07 1s5z h VAL 88 N 0.58 0.00 -0.76 1.51 2.07 -1.86 0.46 116.25 118.24 1s5z h VAL 88 Ca 0.42 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.91 1s5z h VAL 88 Cb 0.80 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1s5z h VAL 88 CO -0.18 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.76 1s5z h ALA 89 N -1.11 0.99 -0.39 1.67 0.00 -1.84 -2.87 119.26 115.71 1s5z h ALA 89 Ca -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1s5z h ALA 89 Cb 0.80 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1s5z h ALA 89 CO 0.00 0.58 0.20 1.03 0.00 0.00 0.00 179.25 181.06 1s5z h SER 90 N 1.09 0.49 -0.61 0.00 0.87 -1.13 -2.01 113.55 112.25 1s5z h SER 90 Ca 0.26 -0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 1s5z h SER 90 Cb 0.16 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1s5z h SER 90 CO -0.03 0.46 0.32 0.00 -0.53 0.00 0.00 176.83 177.05 1s5z h ALA 91 N 1.05 0.80 -0.68 6.23 0.00 0.09 -0.56 119.26 126.19 1s5z h ALA 91 Ca 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1s5z h ALA 91 Cb 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1s5z h ALA 91 CO -0.02 -0.02 0.24 0.00 0.00 0.00 0.00 179.25 179.45 1s5z h ARG 92 N 0.60 1.03 -0.43 0.00 3.08 -1.29 -1.28 114.38 116.08 1s5z h ARG 92 Ca 0.28 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1s5z h ARG 92 Cb 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1s5z h ARG 92 CO -0.19 0.88 0.12 1.25 -1.07 0.00 0.00 179.97 180.95 1s5z h LEU 93 N 0.97 0.58 -0.73 3.04 5.85 -0.71 -1.19 115.31 123.12 1s5z h LEU 93 Ca 0.22 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1s5z h LEU 93 Cb 0.25 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1s5z h LEU 93 CO -0.01 0.58 -0.56 0.24 -0.34 0.00 0.00 178.44 178.34 1s5z h MET 94 N 0.62 0.00 -0.02 1.25 2.86 -0.59 -3.22 114.93 115.83 1s5z h MET 94 Ca 0.14 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.66 1s5z h MET 94 Cb 0.22 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.89 1s5z h MET 94 CO -0.01 0.56 -0.48 0.82 1.06 0.00 0.00 176.91 178.86 1s5z h ILE 95 N 0.00 1.45 0.00 -1.22 2.04 -0.55 -0.86 117.51 118.37 1s5z h ILE 95 Ca -0.01 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.87 1s5z h ILE 95 Cb 1.09 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1s5z h ILE 95 CO 0.07 0.57 0.00 0.61 0.00 0.00 0.00 178.15 179.40 1s5z n GLY 96 N 0.99 0.18 3.71 5.37 0.00 -0.52 -1.04 105.19 113.88 1s5z n GLY 96 Ca -0.10 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 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 2.55 0.26 1.61 -7.23 -1.26 -4.69 120.40 111.63 1s5z s VAL 97 Ca 0.00 -1.77 -0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1s5z s VAL 97 Cb 0.00 -2.95 0.33 0.00 0.56 0.00 0.00 36.38 34.33 1s5z s VAL 97 CO 0.00 -0.09 1.61 0.74 -0.31 0.00 0.00 175.10 177.05 1s5z h THR 98 N 1.55 0.22 -3.44 5.32 2.02 -1.98 -3.33 112.91 113.27 1s5z h THR 98 Ca -0.43 -0.02 -0.66 0.00 0.77 0.00 0.00 66.41 66.07 1s5z h THR 98 Cb 1.25 0.16 -0.16 0.00 -1.74 0.00 0.00 68.15 67.66 1s5z h THR 98 CO 0.68 0.01 0.13 0.21 0.37 0.00 0.00 175.52 176.92 1s5z s ASN 99 N -5.17 6.29 0.55 4.18 3.04 -1.26 -4.69 114.94 117.87 1s5z s ASN 99 Ca -0.14 -0.55 0.25 0.00 0.04 0.00 0.00 52.86 52.47 1s5z s ASN 99 Cb 0.24 -2.32 1.44 0.00 -1.54 0.00 0.00 41.25 39.07 1s5z s ASN 99 CO 0.76 -0.86 2.02 1.55 -3.04 0.00 0.00 177.10 177.54 1s5z h PRO 100 N 8.96 0.00 0.00 0.43 0.13 -1.85 -0.09 132.00 139.58 1s5z h PRO 100 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1s5z h PRO 100 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1s5z h PRO 100 CO 0.93 0.00 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.41 1s5z h LEU 101 N 0.00 0.00 -1.77 1.56 3.38 -1.83 -1.91 115.31 114.74 1s5z h LEU 101 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1s5z h LEU 101 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1s5z h LEU 101 CO -0.00 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.75 1s5z n ALA 102 N -2.40 2.48 -2.25 1.53 0.00 -0.08 -4.92 120.51 114.86 1s5z n ALA 102 Ca -0.02 -0.70 -0.40 0.00 0.00 0.00 0.00 53.44 52.31 1s5z n ALA 102 Cb 0.30 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.82 7.38 0.47 0.00 0.01 -0.72 -4.87 113.70 114.15 1s5z s SER 103 Ca 0.33 1.64 -0.23 0.00 1.31 0.00 0.00 55.95 59.00 1s5z s SER 103 Cb 0.21 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.84 1s5z s SER 103 CO 0.31 0.02 1.22 0.00 0.41 0.00 0.00 173.24 175.20 1s5z s ALA 104 N -0.24 2.97 0.38 1.44 0.00 -1.26 -4.31 121.76 120.74 1s5z s ALA 104 Ca 0.42 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 1s5z s ALA 104 Cb -0.22 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1s5z s ALA 104 CO 0.27 -0.84 1.41 -2.30 0.00 0.00 0.00 175.76 174.30 1s5z n PRO 105 N -0.54 2.41 0.00 0.00 -0.02 -1.26 -1.92 135.00 133.68 1s5z n PRO 105 Ca 0.08 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1s5z n PRO 105 Cb 0.47 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 0.58 2.04 3.91 -1.23 0.00 -1.26 -4.97 105.19 104.27 1s5z n GLY 106 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 5.61 0.04 1.61 1.04 -0.81 -4.92 113.70 116.26 1s5z s SER 107 Ca 0.00 0.76 -0.26 0.00 0.48 0.00 0.00 55.95 56.93 1s5z s SER 107 Cb 0.00 -1.75 -0.17 0.00 0.10 0.00 0.00 66.02 64.20 1s5z s SER 107 CO 0.00 -1.07 1.49 0.40 0.98 0.00 0.00 173.24 175.04 1s5z h ILE 108 N -0.20 0.84 -0.28 -1.02 2.04 -0.93 -1.18 117.51 116.78 1s5z h ILE 108 Ca -0.45 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 1s5z h ILE 108 Cb 1.25 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1s5z h ILE 108 CO 0.61 0.08 -0.27 0.03 0.00 0.00 0.00 178.15 178.60 1s5z h ARG 109 N -0.48 0.55 -0.97 2.37 3.08 -1.36 -0.68 114.38 116.88 1s5z h ARG 109 Ca -0.03 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.81 1s5z h ARG 109 Cb 0.36 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1s5z h ARG 109 CO 0.05 0.77 0.64 0.78 -1.07 0.00 0.00 179.97 181.14 1s5z h GLY 110 N 1.02 1.37 1.53 0.04 0.00 -1.69 0.21 103.07 105.54 1s5z h GLY 110 Ca 0.07 -0.52 -0.18 0.00 0.00 0.00 0.00 47.33 46.70 1s5z h GLY 110 CO 0.05 0.50 -1.09 -0.55 0.00 0.00 0.00 176.54 175.45 1s5z h ASP 111 N 1.32 0.00 0.00 0.19 3.32 -0.99 -3.42 116.42 116.84 1s5z h ASP 111 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1s5z h ASP 111 Cb -0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1s5z h ASP 111 CO -0.08 0.73 0.00 0.49 -1.72 0.00 0.00 179.24 178.66 1s5z n PHE 112 N -3.13 0.00 -4.33 4.55 3.72 -0.28 -5.07 117.46 112.92 1s5z n PHE 112 Ca -0.05 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.10 1s5z n PHE 112 Cb 0.87 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.32 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 -0.34 1.73 0.00 1.37 0.00 0.71 -5.01 107.32 105.78 1s5z s GLY 113 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1s5z s GLY 113 CO 0.00 -1.65 0.00 -0.62 0.00 0.00 0.00 173.10 170.83 1s5z n VAL 114 N -0.30 0.00 -3.79 1.40 0.31 -1.26 -4.28 118.33 110.40 1s5z n VAL 114 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 1s5z n VAL 114 Cb 0.57 1.75 -0.16 0.00 -0.91 0.00 0.00 33.84 35.09 1s5z n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1s5z s ASP 115 N 0.00 0.09 0.52 4.52 -1.08 -1.26 -4.68 116.67 114.78 1s5z s ASP 115 Ca 0.00 0.03 0.17 0.00 -0.52 0.00 0.00 52.55 52.23 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 -0.11 2.12 0.58 0.52 0.00 0.00 175.17 178.27 1s5z h VAL 116 N 6.18 0.96 -0.00 1.11 2.07 -1.96 -0.72 116.25 123.88 1s5z h VAL 116 Ca -0.44 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1s5z h VAL 116 Cb 1.13 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1s5z h VAL 116 CO 0.48 0.01 -0.05 0.61 0.02 0.00 0.00 177.57 178.64 1s5z n GLY 117 N -1.55 -1.08 2.21 2.17 0.00 -1.26 -3.79 105.19 101.89 1s5z n GLY 117 Ca -0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.08 0.89 -0.58 1.61 5.12 -0.29 -4.97 116.66 117.36 1s5z n ARG 118 Ca 0.15 -3.28 -0.07 0.00 -1.93 0.00 0.00 57.85 52.73 1s5z n ARG 118 Cb 0.24 -1.54 0.14 0.00 -1.16 0.00 0.00 32.46 30.14 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 0.62 3.42 0.00 0.55 0.23 -1.11 -4.41 115.26 114.56 1s5z n ASN 119 Ca 0.23 -2.71 0.00 0.00 -0.53 0.00 0.00 54.58 51.57 1s5z n ASN 119 Cb 0.62 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 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 -0.11 0.00 -3.79 1.53 5.41 -1.26 -4.80 119.36 116.34 1s5z n ILE 120 Ca 0.25 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.90 1s5z n ILE 120 Cb 0.98 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.84 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 0.11 -0.03 1.39 2.07 -1.26 -1.65 121.20 121.83 1s5z s ILE 121 Ca 0.00 -0.89 0.07 0.00 -1.41 0.00 0.00 60.65 58.43 1s5z s ILE 121 Cb 0.00 -1.10 -0.02 0.00 0.13 0.00 0.00 42.46 41.47 1s5z s ILE 121 CO 0.00 -0.49 -0.24 -2.28 -1.91 0.00 0.00 174.94 170.02 1s5z s HIS 122 N -3.17 2.39 -0.02 3.50 5.65 -0.27 -4.93 115.29 118.44 1s5z s HIS 122 Ca -0.01 -0.43 0.01 0.00 0.25 0.00 0.00 55.06 54.89 1s5z s HIS 122 Cb 0.01 -1.53 0.01 0.00 -1.18 0.00 0.00 32.58 29.89 1s5z s HIS 122 CO -0.07 -0.03 -0.05 0.20 -0.65 0.00 0.00 174.74 174.14 1s5z s GLY 123 N -0.58 0.34 0.42 1.59 0.00 -1.26 -1.64 107.32 106.20 1s5z s GLY 123 Ca 0.09 -0.14 -0.24 0.00 0.00 0.00 0.00 44.72 44.43 1s5z s GLY 123 CO -0.00 0.09 1.07 1.44 0.00 0.00 0.00 173.10 175.70 1s5z n SER 124 N 3.43 1.54 0.00 1.64 7.64 -0.91 -4.90 113.62 122.07 1s5z n SER 124 Ca -0.19 1.05 0.12 0.00 1.01 0.00 0.00 58.87 60.86 1s5z n SER 124 Cb 0.55 -1.39 0.22 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.40 0.53 -3.80 6.43 5.68 -1.26 -4.79 116.55 119.74 1s5z n ASP 125 Ca 0.09 -0.25 -0.05 0.00 -0.50 0.00 0.00 54.79 54.08 1s5z n ASP 125 Cb 0.39 0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 40.65 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 -3.12 -0.21 0.23 -1.12 1.04 -1.26 -4.94 113.70 104.32 1s5z s SER 126 Ca 0.10 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 1s5z s SER 126 Cb 0.17 0.60 0.21 0.00 0.10 0.00 0.00 66.02 67.10 1s5z s SER 126 CO 0.71 -1.11 1.85 0.58 0.98 0.00 0.00 173.24 176.25 1s5z h VAL 127 N 2.00 1.26 -0.34 5.02 2.07 -1.93 -0.49 116.25 123.83 1s5z h VAL 127 Ca -0.22 -0.67 -0.16 0.00 0.82 0.00 0.00 66.70 66.47 1s5z h VAL 127 Cb 1.24 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1s5z h VAL 127 CO 0.24 0.30 -0.41 1.05 0.02 0.00 0.00 177.57 178.78 1s5z h GLU 128 N 1.26 0.85 -0.34 1.57 4.11 -1.97 -0.90 114.58 119.15 1s5z h GLU 128 Ca 0.31 -0.45 -0.11 0.00 0.07 0.00 0.00 59.36 59.18 1s5z h GLU 128 Cb 0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1s5z h GLU 128 CO -0.05 1.09 -0.22 0.77 0.07 0.00 0.00 179.01 180.67 1s5z h SER 129 N 0.69 0.67 0.05 3.06 0.02 -1.91 -2.45 113.55 113.68 1s5z h SER 129 Ca 0.05 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1s5z h SER 129 Cb 0.98 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1s5z h SER 129 CO 0.09 0.88 -0.02 0.00 -1.14 0.00 0.00 176.83 176.64 1s5z h ALA 130 N 1.17 -0.07 -0.52 3.77 0.00 -0.90 0.21 119.26 122.93 1s5z h ALA 130 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1s5z h ALA 130 Cb 0.70 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1s5z h ALA 130 CO 0.05 -0.43 0.34 -0.91 0.00 0.00 0.00 179.25 178.31 1s5z h ASN 131 N -0.28 0.53 -0.10 0.00 2.35 -1.11 0.32 115.58 117.28 1s5z h ASN 131 Ca -0.01 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1s5z h ASN 131 Cb 0.26 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.51 1s5z h ASN 131 CO 0.01 0.37 -0.52 -0.09 -1.65 0.00 0.00 177.43 175.55 1s5z h ARG 132 N 0.62 0.53 -0.55 0.81 2.43 -1.22 -2.76 114.38 114.24 1s5z h ARG 132 Ca 0.20 -0.44 -0.09 0.00 -0.81 0.00 0.00 59.98 58.85 1s5z h ARG 132 Cb 0.06 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1s5z h ARG 132 CO -0.05 1.06 -0.00 0.93 -1.51 0.00 0.00 179.97 180.40 1s5z h GLU 133 N 0.14 0.97 -0.51 0.20 5.08 0.16 -1.72 114.58 118.89 1s5z h GLU 133 Ca -0.04 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1s5z h GLU 133 Cb 1.17 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1s5z h GLU 133 CO 0.11 0.98 0.30 0.82 -1.00 0.00 0.00 179.01 180.22 1s5z h ILE 134 N 0.85 1.16 0.00 3.13 2.04 -0.45 -0.56 117.51 123.67 1s5z h ILE 134 Ca 0.15 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1s5z h ILE 134 Cb 0.54 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1s5z h ILE 134 CO 0.03 0.17 -0.35 0.00 0.00 0.00 0.00 178.15 177.99 1s5z h ALA 135 N 1.14 1.34 -0.03 1.87 0.00 -1.36 -0.88 119.26 121.34 1s5z h ALA 135 Ca 0.18 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1s5z h ALA 135 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1s5z h ALA 135 CO -0.03 0.44 -0.42 1.25 0.00 0.00 0.00 179.25 180.48 1s5z h LEU 136 N 0.00 0.42 0.00 0.00 6.46 -0.74 -3.37 115.31 118.08 1s5z h LEU 136 Ca -0.00 -0.72 -0.18 0.00 -0.12 0.00 0.00 57.88 56.85 1s5z h LEU 136 Cb 0.66 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1s5z h LEU 136 CO 0.05 1.08 -1.22 -0.50 -0.62 0.00 0.00 178.44 177.23 1s5z h TRP 137 N -0.20 0.00 -4.01 1.25 4.06 -1.07 -3.47 115.95 112.50 1s5z h TRP 137 Ca -0.04 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.33 1s5z h TRP 137 Cb 1.12 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 29.05 1s5z h TRP 137 CO 0.15 0.69 -0.84 -0.06 -3.56 0.00 0.00 178.44 174.83 1s5z s PHE 138 N -2.84 1.85 0.29 0.49 0.40 -0.34 -5.10 117.98 112.73 1s5z s PHE 138 Ca -0.01 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 1s5z s PHE 138 Cb 0.08 -1.04 -0.07 0.00 0.51 0.00 0.00 43.02 42.50 1s5z s PHE 138 CO 0.80 0.18 0.64 0.15 0.70 0.00 0.00 175.22 177.69 1s5z s LYS 139 N -1.68 3.83 0.42 0.44 1.02 -1.26 -4.48 119.74 118.03 1s5z s LYS 139 Ca 0.07 0.38 0.19 0.00 0.02 0.00 0.00 55.97 56.64 1s5z s LYS 139 Cb -0.10 -2.54 1.11 0.00 -0.52 0.00 0.00 37.83 35.79 1s5z s LYS 139 CO 0.04 0.20 1.84 -1.35 -0.92 0.00 0.00 175.35 175.15 1s5z h PRO 140 N 2.13 0.37 0.00 -1.68 0.11 -1.94 -0.46 132.00 130.53 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 0.67 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 1s5z n GLU 141 N -4.51 0.05 0.00 1.05 4.71 -1.26 -2.35 120.64 118.33 1s5z n GLU 141 Ca 0.21 0.21 0.12 0.00 -0.01 0.00 0.00 57.16 57.68 1s5z n GLU 141 Cb 0.76 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.88 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 -1.45 1.61 -4.59 3.49 1.02 -0.18 -4.89 120.64 115.65 1s5z n GLU 142 Ca 0.05 -1.23 -0.34 0.00 -0.02 0.00 0.00 57.16 55.62 1s5z n GLU 142 Cb 0.17 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.23 3.09 0.52 -4.62 1.43 -0.99 -4.49 118.68 111.39 1s5z s LEU 143 Ca 0.26 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.02 1s5z s LEU 143 Cb 0.19 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.66 1s5z s LEU 143 CO 0.43 0.26 1.29 -0.76 0.23 0.00 0.00 176.35 177.80 1s5z s LEU 144 N -0.22 3.89 -0.01 1.79 2.01 -0.43 -4.93 118.68 120.79 1s5z s LEU 144 Ca 0.03 2.60 0.09 0.00 0.01 0.00 0.00 54.13 56.85 1s5z s LEU 144 Cb -0.13 -4.28 -0.13 0.00 0.01 0.00 0.00 46.19 41.66 1s5z s LEU 144 CO 0.03 -1.36 0.21 0.35 1.01 0.00 0.00 176.35 176.59 1s5z n THR 145 N -0.88 0.00 -3.68 5.49 -2.24 -1.26 -4.86 114.28 106.84 1s5z n THR 145 Ca 0.10 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 1s5z n THR 145 Cb 0.46 0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 1s5z n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1s5z s GLU 146 N -2.50 2.39 0.00 -0.78 0.41 -1.26 -5.00 118.70 111.96 1s5z s GLU 146 Ca -0.02 -1.58 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 1s5z s GLU 146 Cb 0.06 -3.67 0.00 0.00 -1.78 0.00 0.00 34.13 28.73 1s5z s GLU 146 CO 0.36 -0.98 0.00 0.28 -0.49 0.00 0.00 175.26 174.43 1s5z n VAL 147 N 4.79 0.00 -2.95 2.63 0.31 -1.26 -5.05 118.33 116.80 1s5z n VAL 147 Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.21 1s5z n VAL 147 Cb 0.42 -0.56 0.01 0.00 -0.91 0.00 0.00 33.84 32.80 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 -1.03 -1.86 -1.78 5.55 4.81 -1.26 -5.02 118.16 117.57 1s5z n LYS 148 Ca 0.00 1.82 -0.30 0.00 -0.87 0.00 0.00 58.31 58.96 1s5z n LYS 148 Cb 0.00 -5.71 0.22 0.00 0.02 0.00 0.00 35.03 29.55 1s5z n LYS 148 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1s5z s PRO 149 N -2.80 -0.01 0.17 1.64 0.04 -1.26 -4.95 135.00 127.83 1s5z s PRO 149 Ca 0.13 -0.46 -0.34 0.00 0.04 0.00 0.00 61.00 60.37 1s5z s PRO 149 Cb -0.04 -1.78 -0.15 0.00 0.04 0.00 0.00 34.50 32.58 1s5z s PRO 149 CO 0.76 -2.84 1.39 -1.71 0.04 0.00 0.00 177.00 174.64 1s5z n ASN 150 N -4.05 2.30 0.00 6.66 5.15 -1.26 -4.83 115.26 119.22 1s5z n ASN 150 Ca 0.16 1.12 0.08 0.00 -0.60 0.00 0.00 54.58 55.35 1s5z n ASN 150 Cb 0.59 -1.33 0.40 0.00 -0.53 0.00 0.00 39.78 38.92 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 2.49 0.13 -0.16 1.20 -0.04 -1.26 -2.72 135.00 134.64 1s5z n PRO 151 Ca 0.15 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 1s5z n PRO 151 Cb 0.26 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.39 3.14 0.01 3.54 3.02 -1.26 -4.38 115.26 117.93 1s5z n ASN 152 Ca 0.06 -1.95 -0.13 0.00 -0.03 0.00 0.00 54.58 52.53 1s5z n ASN 152 Cb 0.17 -0.21 -0.14 0.00 -0.61 0.00 0.00 39.78 38.99 1s5z n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s5z h LEU 153 N 4.12 0.17 -8.60 3.41 3.38 -1.89 -3.47 115.31 112.43 1s5z h LEU 153 Ca 0.00 -0.32 -0.64 0.00 0.09 0.00 0.00 57.88 57.01 1s5z h LEU 153 Cb 0.91 -0.05 -0.27 0.00 0.09 0.00 0.00 40.66 41.33 1s5z h LEU 153 CO 0.00 1.28 -0.86 -0.31 0.09 0.00 0.00 178.44 178.64 1s5z s TYR 154 N -2.60 2.04 -2.02 1.13 2.02 -1.26 -5.14 117.35 111.52 1s5z s TYR 154 Ca -0.09 -0.39 0.32 0.00 -0.37 0.00 0.00 57.07 56.54 1s5z s TYR 154 Cb 0.08 -1.25 1.88 0.00 -0.40 0.00 0.00 41.96 42.27 1s5z s TYR 154 CO 0.82 0.07 2.21 -1.91 -1.57 0.00 0.00 175.55 175.17