#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5y n HIS 2 N 0.00 -0.17 -3.40 0.66 -0.00 -1.26 -4.98 115.22 106.07 1h5y n HIS 2 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 1h5y n HIS 2 Cb 0.00 -2.40 -0.06 0.00 -0.00 0.00 0.00 29.99 27.54 1h5y n HIS 2 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1h5y s MET 3 N -3.49 3.89 -0.03 -0.41 1.00 -1.26 -5.00 119.30 114.00 1h5y s MET 3 Ca 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 55.69 56.01 1h5y s MET 3 Cb 0.00 -2.81 0.01 0.00 0.00 0.00 0.00 34.83 32.02 1h5y s MET 3 CO 0.00 0.42 0.12 0.00 0.00 0.00 0.00 175.02 175.55 1h5y s ALA 4 N -1.61 -0.29 -0.02 3.03 0.00 -1.26 -0.59 121.76 121.02 1h5y s ALA 4 Ca 0.41 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 1h5y s ALA 4 Cb -0.13 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1h5y s ALA 4 CO 0.20 -0.11 0.04 -0.51 0.00 0.00 0.00 175.76 175.38 1h5y s LEU 5 N -0.47 1.65 0.14 0.00 1.43 -0.77 -4.59 118.68 116.06 1h5y s LEU 5 Ca -0.06 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 1h5y s LEU 5 Cb -0.04 0.11 -0.07 0.00 0.03 0.00 0.00 46.19 46.23 1h5y s LEU 5 CO 0.00 -0.04 0.56 -0.13 0.23 0.00 0.00 176.35 176.97 1h5y s ARG 6 N 0.28 4.02 -0.23 1.70 0.52 -0.79 -4.57 118.95 119.88 1h5y s ARG 6 Ca -0.02 0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 55.68 1h5y s ARG 6 Cb -0.03 -2.96 -0.01 0.00 0.52 0.00 0.00 34.95 32.46 1h5y s ARG 6 CO -0.01 0.49 -0.01 0.42 0.02 0.00 0.00 175.30 176.21 1h5y s ILE 7 N -1.43 3.62 -0.17 1.52 -1.09 -1.26 -1.44 121.20 120.95 1h5y s ILE 7 Ca 0.37 -0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 58.37 1h5y s ILE 7 Cb -0.16 -2.66 0.05 0.00 -1.58 0.00 0.00 42.46 38.11 1h5y s ILE 7 CO 0.19 0.40 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.63 1h5y s ILE 8 N 1.51 0.99 0.46 2.92 1.01 -0.12 -1.17 121.20 126.81 1h5y s ILE 8 Ca 0.06 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 1h5y s ILE 8 Cb -0.14 -1.23 -0.10 0.00 0.01 0.00 0.00 42.46 41.00 1h5y s ILE 8 CO -0.01 0.06 1.00 -2.16 0.00 0.00 0.00 174.94 173.82 1h5y s PRO 9 N 1.68 3.99 -0.16 2.79 0.05 -1.26 -2.07 135.00 140.02 1h5y s PRO 9 Ca 0.00 1.26 -0.00 0.00 0.05 0.00 0.00 61.00 62.30 1h5y s PRO 9 Cb -0.16 -2.13 -0.01 0.00 0.05 0.00 0.00 34.50 32.25 1h5y s PRO 9 CO -0.07 -0.25 -0.13 0.00 0.05 0.00 0.00 177.00 176.59 1h5y s LEU 11 N 0.80 5.15 -0.22 0.00 1.43 0.23 -4.52 118.68 121.55 1h5y s LEU 11 Ca -0.05 -1.66 -0.24 0.00 -1.03 0.00 0.00 54.13 51.16 1h5y s LEU 11 Cb -0.15 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1h5y s LEU 11 CO 0.00 -0.54 0.77 -1.81 0.23 0.00 0.00 176.35 175.01 1h5y s ASP 12 N 2.06 6.81 -0.26 2.29 1.01 -1.26 -1.58 116.67 125.73 1h5y s ASP 12 Ca 0.04 1.00 -0.10 0.00 0.71 0.00 0.00 52.55 54.19 1h5y s ASP 12 Cb -0.23 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1h5y s ASP 12 CO 0.00 -0.43 0.15 -0.63 0.21 0.00 0.00 175.17 174.47 1h5y s ILE 13 N 2.49 5.07 -0.91 0.77 -1.09 0.66 -1.14 121.20 127.04 1h5y s ILE 13 Ca 0.34 0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.83 1h5y s ILE 13 Cb -0.16 -3.40 0.24 0.00 -1.58 0.00 0.00 42.46 37.57 1h5y s ILE 13 CO 0.09 0.29 0.91 -0.67 -1.23 0.00 0.00 174.94 174.33 1h5y n ASP 14 N 4.87 4.59 0.00 3.58 -0.08 -0.48 -2.48 116.55 126.54 1h5y n ASP 14 Ca -0.15 -3.20 0.00 0.00 -1.51 0.00 0.00 54.79 49.93 1h5y n ASP 14 Cb 0.52 -1.06 0.00 0.00 2.34 0.00 0.00 41.12 42.91 1h5y n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1h5y n GLY 15 N 2.01 2.90 0.09 0.27 0.00 -1.26 -0.76 105.19 108.45 1h5y n GLY 15 Ca 0.24 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.64 1h5y n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5y n GLY 16 N 0.00 -1.62 0.32 -0.02 0.00 -1.26 -3.13 105.19 99.48 1h5y n GLY 16 Ca 0.00 -0.10 0.21 0.00 0.00 0.00 0.00 46.02 46.13 1h5y n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5y h ALA 17 N 2.51 1.02 0.00 4.61 0.00 -1.38 -3.49 119.26 122.53 1h5y h ALA 17 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h5y h ALA 17 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1h5y h ALA 17 CO 0.00 0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.62 1h5y n LYS 18 N -3.11 0.00 -2.86 0.00 0.00 -1.18 -4.86 118.16 106.15 1h5y n LYS 18 Ca -0.02 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.89 1h5y n LYS 18 Cb 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.14 1h5y n LYS 18 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1h5y s VAL 19 N 0.00 4.57 0.12 0.58 1.01 0.50 -1.39 120.40 125.79 1h5y s VAL 19 Ca 0.00 1.86 0.05 0.00 0.00 0.00 0.00 61.98 63.89 1h5y s VAL 19 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1h5y s VAL 19 CO 0.00 0.36 -0.11 0.68 0.00 0.00 0.00 175.10 176.03 1h5y s VAL 20 N -0.16 1.14 -0.50 2.92 -7.23 -0.29 -0.57 120.40 115.71 1h5y s VAL 20 Ca 0.42 -1.78 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 1h5y s VAL 20 Cb -0.22 -1.55 0.05 0.00 0.56 0.00 0.00 36.38 35.21 1h5y s VAL 20 CO 0.27 -0.56 0.68 -0.69 -0.31 0.00 0.00 175.10 174.49 1h5y s VAL 21 N -2.58 4.78 0.13 1.32 1.01 -0.70 -4.31 120.40 120.06 1h5y s VAL 21 Ca 0.10 -0.24 -0.34 0.00 0.00 0.00 0.00 61.98 61.50 1h5y s VAL 21 Cb -0.02 -4.32 -0.17 0.00 0.00 0.00 0.00 36.38 31.87 1h5y s VAL 21 CO 0.01 -0.81 1.08 0.29 0.00 0.00 0.00 175.10 175.66 1h5y n LYS 22 N 6.41 0.77 -0.38 2.72 5.02 -1.26 -2.40 118.16 129.04 1h5y n LYS 22 Ca -0.04 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1h5y n LYS 22 Cb 0.46 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1h5y n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h5y n GLY 23 N 1.95 1.95 3.69 0.72 0.00 -1.26 -4.97 105.19 107.28 1h5y n GLY 23 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1h5y n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h5y s VAL 24 N -3.14 3.26 0.07 1.61 1.01 -1.01 -4.91 120.40 117.30 1h5y s VAL 24 Ca 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1h5y s VAL 24 Cb 0.00 -3.47 -0.29 0.00 0.00 0.00 0.00 36.38 32.62 1h5y s VAL 24 CO 0.00 0.01 1.13 -1.13 0.00 0.00 0.00 175.10 175.11 1h5y h ASN 25 N 7.88 0.48 -3.23 3.32 -1.24 -1.93 -3.44 115.58 117.42 1h5y h ASN 25 Ca -0.41 -0.50 -0.57 0.00 0.71 0.00 0.00 56.30 55.53 1h5y h ASN 25 Cb 1.19 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 40.04 1h5y h ASN 25 CO 0.91 1.39 1.08 0.12 -1.29 0.00 0.00 177.43 179.64 1h5y s PHE 26 N -2.68 2.38 0.23 0.67 5.36 -1.26 -4.91 117.98 117.76 1h5y s PHE 26 Ca -0.05 0.68 -0.09 0.00 -0.96 0.00 0.00 56.93 56.51 1h5y s PHE 26 Cb 0.07 -4.27 0.35 0.00 -0.34 0.00 0.00 43.02 38.83 1h5y s PHE 26 CO 0.89 -2.04 1.65 0.37 -1.46 0.00 0.00 175.22 174.63 1h5y h GLN 27 N 10.74 0.10 0.00 10.12 4.15 -1.99 0.71 115.11 138.95 1h5y h GLN 27 Ca -0.28 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1h5y h GLN 27 Cb 1.11 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1h5y h GLN 27 CO 1.08 0.07 -0.01 0.78 -1.93 0.00 0.00 178.83 178.82 1h5y h GLY 28 N 0.11 0.00 0.00 2.39 0.00 -1.92 -1.97 103.07 101.68 1h5y h GLY 28 Ca 0.36 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.46 1h5y h GLY 28 CO -0.59 0.00 -2.03 1.39 0.00 0.00 0.00 176.54 175.31 1h5y n ILE 29 N -3.55 0.87 -0.13 2.60 5.41 -0.51 -4.50 119.36 119.55 1h5y n ILE 29 Ca -0.03 -0.62 -0.10 0.00 1.00 0.00 0.00 62.75 63.00 1h5y n ILE 29 Cb 0.09 -0.44 -0.02 0.00 -0.71 0.00 0.00 39.64 38.56 1h5y n ILE 29 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1h5y h ARG 30 N 0.00 0.62 -6.09 0.38 2.43 -0.32 -3.40 114.38 108.00 1h5y h ARG 30 Ca -0.35 -0.17 -0.57 0.00 -0.81 0.00 0.00 59.98 58.08 1h5y h ARG 30 Cb 1.74 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 31.12 1h5y h ARG 30 CO 0.02 0.69 0.84 -1.21 -1.51 0.00 0.00 179.97 178.80 1h5y s GLU 31 N -5.17 3.24 0.04 0.20 2.02 -0.80 -1.72 118.70 116.52 1h5y s GLU 31 Ca -0.13 -0.32 0.22 0.00 0.02 0.00 0.00 54.97 54.77 1h5y s GLU 31 Cb 0.09 -4.15 -0.09 0.00 0.10 0.00 0.00 34.13 30.08 1h5y s GLU 31 CO 0.77 -1.89 0.87 1.33 0.02 0.00 0.00 175.26 176.35 1h5y n VAL 32 N 6.28 0.16 -2.89 2.63 0.24 0.26 -4.94 118.33 120.08 1h5y n VAL 32 Ca 0.02 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1h5y n VAL 32 Cb 0.48 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 1h5y n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h5y n GLY 33 N 1.33 -1.66 3.78 7.63 0.00 -1.20 -4.99 105.19 110.09 1h5y n GLY 33 Ca 0.00 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 1h5y n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h5y s ASP 34 N -3.02 6.76 0.16 1.61 -1.08 -1.26 -0.37 116.67 119.46 1h5y s ASP 34 Ca 0.00 0.90 -0.18 0.00 -0.52 0.00 0.00 52.55 52.75 1h5y s ASP 34 Cb 0.00 -2.27 0.06 0.00 -1.46 0.00 0.00 42.92 39.26 1h5y s ASP 34 CO 0.00 0.18 1.68 -0.65 0.52 0.00 0.00 175.17 176.90 1h5y h PRO 35 N 5.59 0.01 0.54 4.34 0.11 -1.96 -0.66 132.00 139.97 1h5y h PRO 35 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1h5y h PRO 35 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1h5y h PRO 35 CO 0.68 0.00 -0.27 0.28 -0.21 0.00 0.00 178.00 178.48 1h5y h VAL 36 N 0.01 0.44 -0.46 3.15 2.07 -1.92 0.15 116.25 119.69 1h5y h VAL 36 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1h5y h VAL 36 Cb 0.26 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1h5y h VAL 36 CO -0.36 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.21 1h5y h GLU 37 N -0.75 0.58 0.02 1.57 5.08 -1.94 -1.34 114.58 117.79 1h5y h GLU 37 Ca -0.07 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 1h5y h GLU 37 Cb 0.58 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.72 1h5y h GLU 37 CO 0.11 0.38 -0.79 0.52 -1.00 0.00 0.00 179.01 178.24 1h5y h MET 38 N 0.59 0.50 -0.82 2.33 2.86 -0.83 -1.50 114.93 118.06 1h5y h MET 38 Ca 0.17 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1h5y h MET 38 Cb -0.03 0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 1h5y h MET 38 CO -0.04 1.20 0.52 0.00 1.06 0.00 0.00 176.91 179.64 1h5y h ALA 39 N 0.32 1.05 -0.25 6.32 0.00 -0.36 -0.62 119.26 125.71 1h5y h ALA 39 Ca -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1h5y h ALA 39 Cb 1.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1h5y h ALA 39 CO 0.15 0.49 0.06 0.28 0.00 0.00 0.00 179.25 180.23 1h5y h VAL 40 N 1.12 1.22 -0.75 0.00 2.07 -1.27 -1.49 116.25 117.14 1h5y h VAL 40 Ca 0.30 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1h5y h VAL 40 Cb -0.08 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1h5y h VAL 40 CO -0.06 0.23 0.26 -0.09 0.02 0.00 0.00 177.57 177.93 1h5y h ARG 41 N 0.23 1.15 -0.62 1.57 2.43 -1.03 -1.31 114.38 116.80 1h5y h ARG 41 Ca 0.08 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1h5y h ARG 41 Cb 0.29 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1h5y h ARG 41 CO 0.00 0.96 0.07 1.88 -1.51 0.00 0.00 179.97 181.37 1h5y h TYR 42 N 1.11 1.10 -0.07 2.20 0.05 -0.99 0.03 116.97 120.40 1h5y h TYR 42 Ca 0.25 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 1h5y h TYR 42 Cb 0.27 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 1h5y h TYR 42 CO 0.02 0.95 0.03 1.49 -1.05 0.00 0.00 178.16 179.60 1h5y h GLU 43 N 0.96 0.11 -0.86 4.88 4.81 -1.04 -0.05 114.58 123.40 1h5y h GLU 43 Ca 0.19 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.56 1h5y h GLU 43 Cb 0.47 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1h5y h GLU 43 CO 0.02 0.23 0.56 0.93 -0.73 0.00 0.00 179.01 180.02 1h5y h GLU 44 N -0.04 0.53 -0.00 1.92 5.08 -0.90 -1.68 114.58 119.49 1h5y h GLU 44 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1h5y h GLU 44 Cb 0.16 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1h5y h GLU 44 CO -0.00 0.35 -0.13 0.39 -1.00 0.00 0.00 179.01 178.62 1h5y n GLU 45 N -4.53 0.56 0.00 2.33 1.02 -0.03 -4.91 120.64 115.07 1h5y n GLU 45 Ca 0.17 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1h5y n GLU 45 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1h5y n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h5y n GLY 46 N 1.32 0.71 3.66 0.62 0.00 -0.19 -3.23 105.19 108.08 1h5y n GLY 46 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1h5y n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5y n ALA 47 N 0.00 0.82 0.00 4.61 0.00 -0.28 -4.90 120.51 120.76 1h5y n ALA 47 Ca 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 1h5y n ALA 47 Cb 0.00 -2.20 -0.13 0.00 0.00 0.00 0.00 19.45 17.12 1h5y n ALA 47 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1h5y h ASP 48 N 2.92 0.00 -5.36 0.00 3.32 -1.49 -3.44 116.42 112.37 1h5y h ASP 48 Ca -0.44 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.48 1h5y h ASP 48 Cb 1.30 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.75 1h5y h ASP 48 CO 0.66 0.96 -0.22 -1.61 -1.72 0.00 0.00 179.24 177.31 1h5y s GLU 49 N -2.65 1.56 -0.07 3.56 2.02 -1.25 -4.22 118.70 117.65 1h5y s GLU 49 Ca -0.03 -1.42 0.03 0.00 0.02 0.00 0.00 54.97 53.56 1h5y s GLU 49 Cb 0.08 0.43 0.01 0.00 0.10 0.00 0.00 34.13 34.76 1h5y s GLU 49 CO 0.82 -0.63 -0.15 0.42 0.02 0.00 0.00 175.26 175.74 1h5y s ILE 50 N -3.83 1.33 -0.10 -1.63 -1.09 -0.23 -4.03 121.20 111.61 1h5y s ILE 50 Ca 0.27 -0.59 -0.04 0.00 -2.23 0.00 0.00 60.65 58.06 1h5y s ILE 50 Cb 0.01 -1.19 -0.04 0.00 -1.58 0.00 0.00 42.46 39.66 1h5y s ILE 50 CO 0.12 0.40 0.06 0.00 -1.23 0.00 0.00 174.94 174.28 1h5y s ALA 51 N 0.61 3.52 -0.10 9.38 0.00 -0.56 -0.25 121.76 134.35 1h5y s ALA 51 Ca -0.15 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1h5y s ALA 51 Cb -0.16 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.30 1h5y s ALA 51 CO 0.05 0.60 -0.07 0.42 0.00 0.00 0.00 175.76 176.75 1h5y s ILE 52 N -0.93 0.93 -0.08 0.00 1.01 0.10 -0.60 121.20 121.63 1h5y s ILE 52 Ca 0.14 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.58 1h5y s ILE 52 Cb -0.12 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1h5y s ILE 52 CO 0.03 0.35 -0.20 -0.76 0.00 0.00 0.00 174.94 174.36 1h5y s LEU 53 N 1.61 1.93 -0.42 2.97 1.43 -0.62 -1.51 118.68 124.07 1h5y s LEU 53 Ca 0.02 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 1h5y s LEU 53 Cb -0.13 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.94 1h5y s LEU 53 CO -0.06 0.13 0.91 -0.62 0.23 0.00 0.00 176.35 176.94 1h5y s ASP 54 N 0.35 6.56 0.00 2.29 2.15 -0.72 -0.25 116.67 127.05 1h5y s ASP 54 Ca -0.14 0.28 0.23 0.00 0.43 0.00 0.00 52.55 53.35 1h5y s ASP 54 Cb -0.16 -2.45 0.17 0.00 -0.30 0.00 0.00 42.92 40.18 1h5y s ASP 54 CO 0.06 -0.96 1.22 2.30 -0.17 0.00 0.00 175.17 177.62 1h5y n ILE 55 N 6.23 0.00 -0.13 4.11 -5.35 -1.04 -4.34 119.36 118.84 1h5y n ILE 55 Ca 0.06 -0.48 -0.09 0.00 -0.27 0.00 0.00 62.75 61.98 1h5y n ILE 55 Cb 0.48 1.46 -0.01 0.00 -1.74 0.00 0.00 39.64 39.84 1h5y n ILE 55 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1h5y h THR 56 N 4.37 1.16 -0.58 7.28 1.35 -1.91 -3.47 112.91 121.12 1h5y h THR 56 Ca 0.00 -0.43 -0.22 0.00 -0.55 0.00 0.00 66.41 65.21 1h5y h THR 56 Cb 0.95 0.73 -0.08 0.00 -1.73 0.00 0.00 68.15 68.02 1h5y h THR 56 CO 0.00 0.17 -0.21 0.00 -0.25 0.00 0.00 175.52 175.23 1h5y n ALA 57 N -2.26 -0.18 -4.02 6.62 0.00 -1.26 -4.97 120.51 114.44 1h5y n ALA 57 Ca -0.00 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 1h5y n ALA 57 Cb 0.09 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.07 1h5y n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h5y s ALA 58 N -2.42 2.88 0.66 0.00 0.00 -1.26 -4.98 121.76 116.64 1h5y s ALA 58 Ca 0.00 -2.52 0.24 0.00 0.00 0.00 0.00 51.96 49.68 1h5y s ALA 58 Cb 0.00 -1.96 1.28 0.00 0.00 0.00 0.00 23.12 22.44 1h5y s ALA 58 CO 0.00 -1.68 1.72 -1.35 0.00 0.00 0.00 175.76 174.45 1h5y h PRO 59 N 7.62 0.00 0.00 0.00 0.11 -1.99 1.12 132.00 138.85 1h5y h PRO 59 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1h5y h PRO 59 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1h5y h PRO 59 CO 0.52 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.46 1h5y n GLU 60 N -2.85 0.12 0.00 1.05 0.00 -1.26 -2.65 120.64 115.06 1h5y n GLU 60 Ca -0.01 0.37 0.11 0.00 0.00 0.00 0.00 57.16 57.63 1h5y n GLU 60 Cb 0.54 -1.74 -0.13 0.00 0.00 0.00 0.00 31.44 30.11 1h5y n GLU 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1h5y n GLY 61 N -0.06 -1.04 0.33 -1.84 0.00 0.38 -4.45 105.19 98.51 1h5y n GLY 61 Ca 0.02 -0.52 0.27 0.00 0.00 0.00 0.00 46.02 45.80 1h5y n GLY 61 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1h5y h ARG 62 N 0.00 0.03 -0.01 1.61 2.47 -1.51 -0.15 114.38 116.82 1h5y h ARG 62 Ca 0.00 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1h5y h ARG 62 Cb 0.84 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 1h5y h ARG 62 CO 0.00 0.02 -0.04 0.00 0.56 0.00 0.00 179.97 180.51 1h5y h ALA 63 N 1.98 -0.03 -0.10 0.04 0.00 -1.81 -0.99 119.26 118.36 1h5y h ALA 63 Ca 0.78 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.52 1h5y h ALA 63 Cb 1.94 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1h5y h ALA 63 CO -0.79 -0.53 -0.66 0.00 0.00 0.00 0.00 179.25 177.27 1h5y h THR 64 N -0.07 1.37 0.85 0.00 1.03 -1.35 -2.73 112.91 112.01 1h5y h THR 64 Ca 0.02 -2.03 -0.04 0.00 -0.01 0.00 0.00 66.41 64.35 1h5y h THR 64 Cb 0.10 2.01 0.01 0.00 -1.07 0.00 0.00 68.15 69.20 1h5y h THR 64 CO -0.05 0.61 -0.41 0.15 -0.01 0.00 0.00 175.52 175.81 1h5y h PHE 65 N 0.29 -1.06 -1.01 0.00 3.57 -1.23 -0.60 116.94 116.90 1h5y h PHE 65 Ca -0.02 -0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.71 1h5y h PHE 65 Cb 1.22 0.35 -0.08 0.00 2.79 0.00 0.00 35.95 40.23 1h5y h PHE 65 CO 0.04 -0.65 0.66 0.82 -2.23 0.00 0.00 178.31 176.95 1h5y h ILE 66 N -1.17 0.56 -0.33 1.41 2.04 -1.23 0.62 117.51 119.41 1h5y h ILE 66 Ca -0.12 -0.13 -0.14 0.00 1.00 0.00 0.00 64.86 65.47 1h5y h ILE 66 Cb 0.88 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1h5y h ILE 66 CO 0.19 0.07 -0.37 -0.78 0.00 0.00 0.00 178.15 177.26 1h5y h ASP 67 N 0.37 0.82 -0.43 1.72 3.58 -1.13 -0.13 116.42 121.21 1h5y h ASP 67 Ca 0.56 -0.36 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 1h5y h ASP 67 Cb 1.47 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.27 1h5y h ASP 67 CO -0.24 1.10 0.03 0.28 -2.88 0.00 0.00 179.24 177.53 1h5y h SER 68 N 0.64 0.72 -0.03 2.28 0.02 0.17 -2.02 113.55 115.33 1h5y h SER 68 Ca 0.06 -0.29 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1h5y h SER 68 Cb 0.92 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1h5y h SER 68 CO 0.08 0.83 -0.21 0.58 -1.14 0.00 0.00 176.83 176.98 1h5y h VAL 69 N 0.59 0.50 -0.69 2.27 2.07 -0.61 0.20 116.25 120.56 1h5y h VAL 69 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1h5y h VAL 69 Cb 0.45 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1h5y h VAL 69 CO 0.02 0.00 0.40 0.50 0.02 0.00 0.00 177.57 178.51 1h5y h LYS 70 N -0.32 0.72 0.00 1.57 3.64 -0.99 -0.46 116.57 120.72 1h5y h LYS 70 Ca 0.07 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1h5y h LYS 70 Cb 0.42 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1h5y h LYS 70 CO -0.22 0.47 -0.34 0.00 -2.27 0.00 0.00 179.45 177.10 1h5y h ARG 71 N 0.74 0.00 -0.01 1.90 3.08 -0.78 -2.54 114.38 116.76 1h5y h ARG 71 Ca 0.31 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.27 1h5y h ARG 71 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.22 1h5y h ARG 71 CO -0.17 0.34 -0.32 0.28 -1.07 0.00 0.00 179.97 179.03 1h5y h VAL 72 N 0.00 1.51 0.00 2.04 2.07 0.17 -2.67 116.25 119.37 1h5y h VAL 72 Ca -0.00 -1.92 -0.00 0.00 0.82 0.00 0.00 66.70 65.59 1h5y h VAL 72 Cb 0.62 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1h5y h VAL 72 CO 0.04 0.54 -0.01 0.00 0.02 0.00 0.00 177.57 178.16 1h5y h ALA 73 N 0.30 1.27 0.03 1.67 0.00 -1.04 -0.10 119.26 121.38 1h5y h ALA 73 Ca -0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 1h5y h ALA 73 Cb 1.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1h5y h ALA 73 CO 0.06 0.01 -1.35 0.93 0.00 0.00 0.00 179.25 178.91 1h5y h GLU 74 N 0.00 0.05 0.00 0.00 5.08 -1.44 -3.34 114.58 114.94 1h5y h GLU 74 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1h5y h GLU 74 Cb 0.05 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1h5y h GLU 74 CO 0.00 0.86 -0.46 0.00 -1.00 0.00 0.00 179.01 178.41 1h5y h ALA 75 N 0.89 0.75 -2.84 3.43 0.00 -0.68 -3.47 119.26 117.34 1h5y h ALA 75 Ca -0.15 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 1h5y h ALA 75 Cb 1.90 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.52 1h5y h ALA 75 CO 0.12 0.00 -0.78 0.14 0.00 0.00 0.00 179.25 178.73 1h5y s VAL 76 N -3.23 1.90 -0.13 0.00 -7.23 -0.68 -4.89 120.40 106.13 1h5y s VAL 76 Ca 0.05 -1.98 0.19 0.00 -1.81 0.00 0.00 61.98 58.42 1h5y s VAL 76 Cb 0.09 -1.91 -0.21 0.00 0.56 0.00 0.00 36.38 34.91 1h5y s VAL 76 CO 0.71 -0.33 0.56 -1.20 -0.31 0.00 0.00 175.10 174.53 1h5y n SER 77 N 0.18 0.43 -4.76 4.85 7.64 -1.26 -4.82 113.62 115.87 1h5y n SER 77 Ca -0.12 0.19 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 1h5y n SER 77 Cb 0.57 0.84 0.11 0.00 -1.01 0.00 0.00 64.21 64.72 1h5y n SER 77 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1h5y s ILE 78 N -2.98 2.93 0.45 0.44 -4.36 -1.26 -4.95 121.20 111.46 1h5y s ILE 78 Ca -0.06 0.30 -0.24 0.00 -0.26 0.00 0.00 60.65 60.39 1h5y s ILE 78 Cb 0.09 -2.91 -0.08 0.00 1.25 0.00 0.00 42.46 40.82 1h5y s ILE 78 CO 0.84 -0.39 1.27 -2.84 0.24 0.00 0.00 174.94 174.05 1h5y s PRO 79 N -5.03 3.76 -0.22 0.37 0.02 -1.26 -4.81 135.00 127.83 1h5y s PRO 79 Ca 0.62 2.05 -0.04 0.00 0.02 0.00 0.00 61.00 63.65 1h5y s PRO 79 Cb -0.16 -2.56 -0.01 0.00 0.02 0.00 0.00 34.50 31.78 1h5y s PRO 79 CO 0.56 -0.63 -0.04 0.08 -0.33 0.00 0.00 177.00 176.64 1h5y s VAL 80 N -1.35 3.47 -0.22 3.83 1.01 -1.26 -1.07 120.40 124.80 1h5y s VAL 80 Ca 0.61 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1h5y s VAL 80 Cb -0.35 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1h5y s VAL 80 CO 0.44 0.42 0.03 -0.22 0.00 0.00 0.00 175.10 175.78 1h5y s LEU 81 N 1.40 3.36 -0.04 3.92 0.20 0.65 -1.10 118.68 127.07 1h5y s LEU 81 Ca 0.05 -0.19 0.05 0.00 0.69 0.00 0.00 54.13 54.73 1h5y s LEU 81 Cb -0.14 -1.87 -0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1h5y s LEU 81 CO -0.02 0.03 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.18 1h5y s VAL 82 N 1.22 1.65 0.37 1.68 1.01 -0.64 0.01 120.40 125.71 1h5y s VAL 82 Ca 0.04 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1h5y s VAL 82 Cb -0.15 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.87 1h5y s VAL 82 CO 0.02 0.47 0.69 -0.83 0.00 0.00 0.00 175.10 175.45 1h5y s GLY 83 N -0.11 0.72 0.00 4.51 0.00 -0.57 0.58 107.32 112.46 1h5y s GLY 83 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1h5y s GLY 83 CO 0.02 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.20 1h5y n GLY 84 N -0.54 1.18 3.71 0.20 0.00 -1.26 -1.76 105.19 106.72 1h5y n GLY 84 Ca -0.05 -1.16 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 1h5y n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5y n GLY 85 N 2.96 -0.51 3.35 -0.02 0.00 -1.26 -4.53 105.19 105.17 1h5y n GLY 85 Ca 0.00 0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 1h5y n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h5y s VAL 86 N -3.33 5.00 -0.15 1.61 1.01 -1.26 -4.90 120.40 118.39 1h5y s VAL 86 Ca 0.57 -1.27 0.17 0.00 0.00 0.00 0.00 61.98 61.46 1h5y s VAL 86 Cb -0.27 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.60 1h5y s VAL 86 CO 0.77 -1.03 0.98 0.03 0.00 0.00 0.00 175.10 175.85 1h5y h ARG 87 N 9.01 0.00 -3.55 2.72 3.08 -1.95 -3.40 114.38 120.29 1h5y h ARG 87 Ca -0.27 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1h5y h ARG 87 Cb 1.09 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.04 1h5y h ARG 87 CO 1.06 0.29 -0.10 -1.54 -1.07 0.00 0.00 179.97 178.61 1h5y s SER 88 N -5.86 -0.13 0.38 7.04 1.04 -1.26 -4.84 113.70 110.07 1h5y s SER 88 Ca -0.01 -0.72 0.16 0.00 0.48 0.00 0.00 55.95 55.85 1h5y s SER 88 Cb 0.09 0.55 1.03 0.00 0.10 0.00 0.00 66.02 67.79 1h5y s SER 88 CO 0.79 -1.05 1.79 0.25 0.98 0.00 0.00 173.24 176.00 1h5y h LEU 89 N 2.30 0.50 -0.67 2.42 5.85 -1.94 0.08 115.31 123.84 1h5y h LEU 89 Ca -0.28 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.42 1h5y h LEU 89 Cb 1.25 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1h5y h LEU 89 CO 0.39 0.14 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.25 1h5y h GLU 90 N 0.46 0.98 -0.35 1.25 4.39 -1.99 -0.45 114.58 118.88 1h5y h GLU 90 Ca 0.56 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1h5y h GLU 90 Cb 1.32 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1h5y h GLU 90 CO -0.29 1.00 0.17 -0.44 -1.16 0.00 0.00 179.01 178.29 1h5y h ASP 91 N 0.89 0.45 0.26 1.42 5.19 -1.40 -1.36 116.42 121.87 1h5y h ASP 91 Ca 0.15 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1h5y h ASP 91 Cb 0.59 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1h5y h ASP 91 CO 0.04 0.44 -0.24 0.00 -3.12 0.00 0.00 179.24 176.36 1h5y h ALA 92 N 1.03 -0.51 -0.73 3.45 0.00 -1.08 -2.00 119.26 119.43 1h5y h ALA 92 Ca 0.12 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.08 1h5y h ALA 92 Cb 0.10 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1h5y h ALA 92 CO -0.02 -0.81 0.28 1.15 0.00 0.00 0.00 179.25 179.85 1h5y h THR 93 N -0.52 0.68 -0.86 0.00 2.02 -0.98 0.13 112.91 113.37 1h5y h THR 93 Ca -0.01 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1h5y h THR 93 Cb 0.47 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 1h5y h THR 93 CO -0.04 0.08 0.57 0.74 0.37 0.00 0.00 175.52 177.24 1h5y h THR 94 N 0.43 1.18 -0.16 3.16 2.02 -1.01 -0.23 112.91 118.30 1h5y h THR 94 Ca 0.39 -0.38 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 1h5y h THR 94 Cb 0.57 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1h5y h THR 94 CO -0.39 0.20 -0.37 -0.07 0.37 0.00 0.00 175.52 175.27 1h5y h LEU 95 N 1.11 0.61 -0.47 2.58 3.38 -0.07 -1.46 115.31 120.99 1h5y h LEU 95 Ca 0.33 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1h5y h LEU 95 Cb -0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1h5y h LEU 95 CO -0.09 1.06 0.22 -0.26 0.09 0.00 0.00 178.44 179.47 1h5y h PHE 96 N 0.18 0.41 -0.64 1.13 0.05 -0.85 -0.78 116.94 116.44 1h5y h PHE 96 Ca -0.00 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.81 1h5y h PHE 96 Cb 0.98 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.78 1h5y h PHE 96 CO 0.10 0.19 0.39 0.00 -0.18 0.00 0.00 178.31 178.81 1h5y h ARG 97 N 0.44 0.85 0.00 1.51 3.08 -0.97 0.69 114.38 119.98 1h5y h ARG 97 Ca 0.21 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1h5y h ARG 97 Cb 0.14 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1h5y h ARG 97 CO -0.16 0.60 0.00 0.00 -1.07 0.00 0.00 179.97 179.33 1h5y h ALA 98 N 1.56 1.00 0.00 0.04 0.00 -0.05 -3.46 119.26 118.34 1h5y h ALA 98 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1h5y h ALA 98 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h5y h ALA 98 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1h5y n GLY 99 N 0.10 0.54 3.77 0.00 0.00 0.23 -4.04 105.19 105.79 1h5y n GLY 99 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1h5y n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5y s ALA 100 N -1.50 3.55 -0.08 4.61 0.00 -0.85 -4.80 121.76 122.70 1h5y s ALA 100 Ca 0.00 1.43 0.15 0.00 0.00 0.00 0.00 51.96 53.54 1h5y s ALA 100 Cb 0.00 -3.56 -0.19 0.00 0.00 0.00 0.00 23.12 19.38 1h5y s ALA 100 CO 0.00 -0.87 0.73 -0.25 0.00 0.00 0.00 175.76 175.38 1h5y n ASP 101 N 0.80 0.86 -3.94 0.00 8.00 -0.26 -4.55 116.55 117.45 1h5y n ASP 101 Ca 0.01 0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.81 1h5y n ASP 101 Cb 0.40 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.46 1h5y n ASP 101 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1h5y s LYS 102 N -2.75 0.45 -0.04 -1.24 1.02 -0.78 -4.69 119.74 111.71 1h5y s LYS 102 Ca -0.04 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 55.36 1h5y s LYS 102 Cb 0.08 0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.57 1h5y s LYS 102 CO 0.82 -0.10 -0.10 0.08 -0.92 0.00 0.00 175.35 175.13 1h5y s VAL 103 N -1.84 0.89 -0.11 3.17 1.01 -1.02 -1.62 120.40 120.88 1h5y s VAL 103 Ca -0.12 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1h5y s VAL 103 Cb -0.06 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1h5y s VAL 103 CO -0.01 0.28 0.01 -0.55 0.00 0.00 0.00 175.10 174.83 1h5y s SER 104 N 0.32 5.30 0.17 3.32 0.15 0.20 -2.42 113.70 120.74 1h5y s SER 104 Ca -0.06 0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.81 1h5y s SER 104 Cb -0.11 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 1h5y s SER 104 CO 0.01 0.33 -0.14 0.68 1.20 0.00 0.00 173.24 175.33 1h5y s VAL 105 N -0.59 2.99 0.00 4.45 -7.23 -0.45 -4.34 120.40 115.22 1h5y s VAL 105 Ca 0.10 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1h5y s VAL 105 Cb -0.12 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1h5y s VAL 105 CO 0.02 -0.06 0.00 -3.20 -0.31 0.00 0.00 175.10 171.55 1h5y n ASN 106 N 0.26 0.00 -0.12 4.85 2.85 -1.26 -1.34 115.26 120.49 1h5y n ASN 106 Ca -0.12 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.31 1h5y n ASN 106 Cb 0.55 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.60 1h5y n ASN 106 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1h5y h THR 107 N 0.00 0.75 -0.40 -0.44 2.02 -1.90 -0.15 112.91 112.79 1h5y h THR 107 Ca 0.00 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1h5y h THR 107 Cb 0.00 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1h5y h THR 107 CO 0.00 0.03 0.27 0.00 0.37 0.00 0.00 175.52 176.19 1h5y h ALA 108 N 1.33 2.04 -0.03 6.16 0.00 -1.89 -0.94 119.26 125.94 1h5y h ALA 108 Ca 0.20 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1h5y h ALA 108 Cb 0.26 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1h5y h ALA 108 CO -0.29 -0.12 -0.56 0.00 0.00 0.00 0.00 179.25 178.28 1h5y h ALA 109 N 1.79 0.11 -0.95 0.00 0.00 -1.32 -1.58 119.26 117.31 1h5y h ALA 109 Ca 0.18 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1h5y h ALA 109 Cb 0.37 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1h5y h ALA 109 CO -0.04 0.35 0.61 0.28 0.00 0.00 0.00 179.25 180.46 1h5y h VAL 110 N -0.05 1.12 -0.85 0.00 2.07 -0.76 0.65 116.25 118.42 1h5y h VAL 110 Ca -0.06 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1h5y h VAL 110 Cb 1.25 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1h5y h VAL 110 CO 0.11 0.21 0.44 0.03 0.02 0.00 0.00 177.57 178.38 1h5y h ARG 111 N 1.15 1.21 -2.07 1.57 3.08 -0.99 -3.37 114.38 114.97 1h5y h ARG 111 Ca 0.39 -0.16 -0.44 0.00 0.07 0.00 0.00 59.98 59.85 1h5y h ARG 111 Cb 0.09 -0.23 -0.33 0.00 0.08 0.00 0.00 29.97 29.58 1h5y h ARG 111 CO -0.15 0.90 -0.76 1.21 -1.07 0.00 0.00 179.97 180.10 1h5y s ASN 112 N -6.29 1.29 0.66 7.04 3.04 -0.61 -5.01 114.94 115.06 1h5y s ASN 112 Ca -0.12 -2.06 0.25 0.00 0.04 0.00 0.00 52.86 50.97 1h5y s ASN 112 Cb 0.17 0.29 1.34 0.00 -1.54 0.00 0.00 41.25 41.51 1h5y s ASN 112 CO 0.83 -0.23 1.76 -0.65 -3.04 0.00 0.00 177.10 175.77 1h5y h PRO 113 N 6.52 0.00 0.00 0.43 0.11 -1.06 0.13 132.00 138.13 1h5y h PRO 113 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1h5y h PRO 113 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1h5y h PRO 113 CO 0.23 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.98 1h5y h GLN 114 N 0.00 0.00 -0.01 1.05 1.08 -1.94 -2.54 115.11 112.74 1h5y h GLN 114 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1h5y h GLN 114 Cb 0.96 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1h5y h GLN 114 CO -0.00 0.00 0.01 1.25 -0.95 0.00 0.00 178.83 179.14 1h5y h LEU 115 N 0.00 0.00 0.08 1.46 5.85 -1.05 -0.92 115.31 120.73 1h5y h LEU 115 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1h5y h LEU 115 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1h5y h LEU 115 CO 0.00 0.00 -0.04 0.58 -0.34 0.00 0.00 178.44 178.64 1h5y h VAL 116 N 0.00 1.16 -0.12 1.05 2.07 -1.65 -0.40 116.25 118.38 1h5y h VAL 116 Ca 0.01 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1h5y h VAL 116 Cb 0.03 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1h5y h VAL 116 CO -0.00 0.24 0.06 0.00 0.02 0.00 0.00 177.57 177.89 1h5y h ALA 117 N 0.28 1.88 -0.20 1.67 0.00 -1.43 -0.08 119.26 121.38 1h5y h ALA 117 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1h5y h ALA 117 Cb 0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h5y h ALA 117 CO 0.02 0.10 -0.30 -0.07 0.00 0.00 0.00 179.25 179.00 1h5y h LEU 118 N 0.16 0.61 -0.81 0.00 3.38 -0.95 0.21 115.31 117.91 1h5y h LEU 118 Ca 0.04 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1h5y h LEU 118 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1h5y h LEU 118 CO -0.01 1.01 -0.08 -0.07 0.09 0.00 0.00 178.44 179.39 1h5y h LEU 119 N 0.23 0.79 -0.15 1.67 3.38 -0.29 -1.90 115.31 119.05 1h5y h LEU 119 Ca 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1h5y h LEU 119 Cb 0.88 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1h5y h LEU 119 CO 0.07 0.91 -0.01 0.00 0.09 0.00 0.00 178.44 179.49 1h5y h ALA 120 N 1.17 0.20 -0.33 1.53 0.00 -0.80 0.22 119.26 121.25 1h5y h ALA 120 Ca 0.13 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1h5y h ALA 120 Cb 0.56 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1h5y h ALA 120 CO 0.03 -0.07 -0.04 -0.09 0.00 0.00 0.00 179.25 179.08 1h5y h ARG 121 N -0.00 0.04 0.07 0.00 1.12 -0.89 0.20 114.38 114.92 1h5y h ARG 121 Ca 0.04 -0.00 -0.27 0.00 -1.11 0.00 0.00 59.98 58.64 1h5y h ARG 121 Cb 0.41 -0.01 0.02 0.00 -0.01 0.00 0.00 29.97 30.38 1h5y h ARG 121 CO 0.01 0.03 -1.14 1.49 -3.11 0.00 0.00 179.97 177.25 1h5y h GLU 122 N 0.04 0.53 -0.00 0.20 4.57 -1.07 -3.39 114.58 115.47 1h5y h GLU 122 Ca 0.16 -0.67 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1h5y h GLU 122 Cb 0.24 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1h5y h GLU 122 CO -0.31 1.28 -0.11 1.19 -1.18 0.00 0.00 179.01 179.88 1h5y n PHE 123 N -3.75 0.00 0.00 0.92 3.72 0.75 -5.09 117.46 114.00 1h5y n PHE 123 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1h5y n PHE 123 Cb 0.94 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 1h5y n PHE 123 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h5y n GLY 124 N 0.87 0.93 0.39 1.37 0.00 0.71 -4.47 105.19 104.99 1h5y n GLY 124 Ca 0.01 -1.48 0.18 0.00 0.00 0.00 0.00 46.02 44.73 1h5y n GLY 124 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1h5y h SER 125 N 0.00 0.32 0.37 1.61 0.87 -1.74 -1.67 113.55 113.31 1h5y h SER 125 Ca 0.00 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1h5y h SER 125 Cb 0.00 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1h5y h SER 125 CO 0.00 0.15 -0.37 -0.61 -0.53 0.00 0.00 176.83 175.47 1h5y h GLN 126 N 0.33 0.00 -0.15 2.24 4.15 -1.87 0.74 115.11 120.56 1h5y h GLN 126 Ca 0.39 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1h5y h GLN 126 Cb 1.04 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.73 1h5y h GLN 126 CO -0.11 0.37 0.00 0.43 -1.93 0.00 0.00 178.83 177.59 1h5y n SER 127 N -4.10 2.56 -4.40 -0.69 7.64 -0.64 -4.85 113.62 109.13 1h5y n SER 127 Ca -0.02 -1.84 -0.43 0.00 1.01 0.00 0.00 58.87 57.60 1h5y n SER 127 Cb 0.40 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 1h5y n SER 127 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1h5y s THR 128 N -1.83 5.00 -0.10 0.44 2.01 -0.64 -2.44 115.64 118.08 1h5y s THR 128 Ca 0.34 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 1h5y s THR 128 Cb 0.20 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1h5y s THR 128 CO 0.30 -0.38 0.02 -0.69 -0.69 0.00 0.00 174.62 173.18 1h5y s VAL 129 N 1.62 4.45 -0.19 3.82 1.01 -1.01 0.04 120.40 130.13 1h5y s VAL 129 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1h5y s VAL 129 Cb -0.21 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1h5y s VAL 129 CO 0.08 0.60 -0.12 -0.69 0.00 0.00 0.00 175.10 174.96 1h5y s VAL 130 N -0.81 2.79 -0.14 2.92 1.01 -0.75 -1.34 120.40 124.07 1h5y s VAL 130 Ca 0.12 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1h5y s VAL 130 Cb -0.12 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1h5y s VAL 130 CO 0.02 0.48 0.53 0.00 0.00 0.00 0.00 175.10 176.14 1h5y s ALA 131 N 1.25 3.48 -0.20 5.51 0.00 -0.45 -1.38 121.76 129.98 1h5y s ALA 131 Ca 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1h5y s ALA 131 Cb -0.14 -2.76 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1h5y s ALA 131 CO -0.06 -0.19 -0.14 0.42 0.00 0.00 0.00 175.76 175.79 1h5y s ILE 132 N 1.05 1.87 -0.24 0.00 1.01 0.72 -4.54 121.20 121.08 1h5y s ILE 132 Ca 0.27 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 1h5y s ILE 132 Cb -0.16 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1h5y s ILE 132 CO 0.11 0.31 0.13 -1.81 0.00 0.00 0.00 174.94 173.68 1h5y s ASP 133 N 1.32 5.81 0.12 3.58 1.01 -1.26 -1.20 116.67 126.04 1h5y s ASP 133 Ca 0.00 0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.31 1h5y s ASP 133 Cb -0.15 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1h5y s ASP 133 CO -0.10 0.03 -0.09 0.00 0.21 0.00 0.00 175.17 175.22 1h5y s ALA 134 N 1.25 1.21 -0.01 5.23 0.00 -0.61 -0.79 121.76 128.04 1h5y s ALA 134 Ca 0.06 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 50.59 1h5y s ALA 134 Cb -0.14 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1h5y s ALA 134 CO 0.05 -0.10 0.20 -1.59 0.00 0.00 0.00 175.76 174.32 1h5y s LYS 135 N -3.37 0.52 0.07 0.00 -2.85 -0.90 0.09 119.74 113.30 1h5y s LYS 135 Ca 0.11 -0.28 -0.31 0.00 -1.00 0.00 0.00 55.97 54.49 1h5y s LYS 135 Cb 0.01 0.22 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 1h5y s LYS 135 CO -0.01 -0.13 1.30 -0.46 0.10 0.00 0.00 175.35 176.15 1h5y s TRP 136 N -1.24 3.29 -0.64 1.78 -0.11 -1.26 -1.38 118.94 119.37 1h5y s TRP 136 Ca -0.13 1.10 0.14 0.00 1.22 0.00 0.00 56.10 58.42 1h5y s TRP 136 Cb -0.06 -3.56 0.43 0.00 -1.50 0.00 0.00 33.47 28.77 1h5y s TRP 136 CO 0.02 -1.87 1.35 0.27 -4.62 0.00 0.00 176.95 172.10 1h5y n ASN 137 N 4.12 3.44 0.00 5.86 0.23 -0.66 -4.95 115.26 123.31 1h5y n ASN 137 Ca 0.10 -2.44 0.00 0.00 -0.53 0.00 0.00 54.58 51.72 1h5y n ASN 137 Cb 0.44 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1h5y n ASN 137 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1h5y n GLY 138 N 0.15 2.72 0.06 4.83 0.00 -1.26 -4.74 105.19 106.95 1h5y n GLY 138 Ca 0.16 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1h5y n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h5y n GLU 139 N 0.00 0.59 -3.81 1.61 1.02 -1.26 -5.10 120.64 113.69 1h5y n GLU 139 Ca 0.00 0.06 -0.05 0.00 -0.02 0.00 0.00 57.16 57.15 1h5y n GLU 139 Cb 0.00 -1.26 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1h5y n GLU 139 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1h5y s TYR 140 N -2.26 -0.16 -0.31 -0.32 -0.85 -1.26 -5.11 117.35 107.09 1h5y s TYR 140 Ca -0.16 -0.22 -0.28 0.00 -0.52 0.00 0.00 57.07 55.89 1h5y s TYR 140 Cb 0.04 0.67 0.01 0.00 0.38 0.00 0.00 41.96 43.07 1h5y s TYR 140 CO 0.31 -1.03 1.03 0.71 -1.52 0.00 0.00 175.55 175.05 1h5y s TYR 141 N -3.59 3.18 -0.08 -3.49 1.51 -1.26 -1.65 117.35 111.97 1h5y s TYR 141 Ca 0.12 1.17 -0.01 0.00 -1.01 0.00 0.00 57.07 57.34 1h5y s TYR 141 Cb -0.04 -3.57 -0.03 0.00 -0.11 0.00 0.00 41.96 38.21 1h5y s TYR 141 CO 0.05 -0.70 -0.03 -2.00 -1.11 0.00 0.00 175.55 171.76 1h5y s GLU 142 N 3.49 2.95 0.02 -0.62 2.12 -0.48 -0.27 118.70 125.91 1h5y s GLU 142 Ca 0.43 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 1h5y s GLU 142 Cb -0.13 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1h5y s GLU 142 CO 0.14 0.65 1.08 0.08 -0.54 0.00 0.00 175.26 176.67 1h5y s VAL 143 N -0.75 4.51 -0.07 3.70 1.01 -0.00 -2.13 120.40 126.67 1h5y s VAL 143 Ca 0.12 1.80 0.04 0.00 0.00 0.00 0.00 61.98 63.94 1h5y s VAL 143 Cb -0.11 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1h5y s VAL 143 CO 0.02 0.13 -0.19 -0.31 0.00 0.00 0.00 175.10 174.75 1h5y s TYR 144 N 1.11 2.59 0.49 5.22 2.02 0.03 -2.21 117.35 126.60 1h5y s TYR 144 Ca 0.55 -0.48 0.06 0.00 -0.37 0.00 0.00 57.07 56.82 1h5y s TYR 144 Cb -0.24 -1.65 0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1h5y s TYR 144 CO 0.28 -0.06 0.46 1.33 -1.57 0.00 0.00 175.55 175.99 1h5y n VAL 145 N 2.78 0.00 -3.43 0.71 0.24 0.18 -4.36 118.33 114.45 1h5y n VAL 145 Ca -0.17 -1.87 -0.19 0.00 -2.04 0.00 0.00 64.34 60.07 1h5y n VAL 145 Cb 0.52 -0.21 0.04 0.00 -1.47 0.00 0.00 33.84 32.71 1h5y n VAL 145 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1h5y n LYS 146 N -1.77 -1.56 -1.76 7.34 5.02 -1.26 -1.29 118.16 122.87 1h5y n LYS 146 Ca 0.03 0.83 -0.11 0.00 -2.02 0.00 0.00 58.31 57.03 1h5y n LYS 146 Cb 0.55 -4.80 -0.03 0.00 -0.02 0.00 0.00 35.03 30.73 1h5y n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h5y n GLY 147 N -1.57 0.59 2.17 0.72 0.00 -1.26 -2.68 105.19 103.17 1h5y n GLY 147 Ca -0.09 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 1h5y n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5y n GLY 148 N -1.31 0.79 0.07 -0.02 0.00 -1.09 -4.92 105.19 98.71 1h5y n GLY 148 Ca -0.12 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 1h5y n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h5y n ARG 149 N -2.71 0.88 -3.65 1.61 1.74 -0.85 -4.87 116.66 108.81 1h5y n ARG 149 Ca -0.06 -0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.58 1h5y n ARG 149 Cb 0.23 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 1h5y n ARG 149 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1h5y s GLU 150 N -2.67 3.04 0.61 5.56 2.12 -0.41 -4.95 118.70 122.00 1h5y s GLU 150 Ca -0.09 -0.92 -0.19 0.00 0.36 0.00 0.00 54.97 54.13 1h5y s GLU 150 Cb 0.07 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 1h5y s GLU 150 CO 0.78 -0.56 1.31 0.00 -0.54 0.00 0.00 175.26 176.25 1h5y s ALA 151 N 1.56 2.52 0.00 6.30 0.00 -1.26 -0.65 121.76 130.23 1h5y s ALA 151 Ca 0.03 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1h5y s ALA 151 Cb -0.18 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1h5y s ALA 151 CO 0.06 -1.49 0.00 0.25 0.00 0.00 0.00 175.76 174.57 1h5y n THR 152 N -1.62 0.00 -0.91 0.00 -2.24 -0.94 -4.83 114.28 103.75 1h5y n THR 152 Ca 0.14 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1h5y n THR 152 Cb 0.47 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1h5y n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h5y n GLY 153 N 1.27 0.58 3.81 3.38 0.00 -1.26 -5.00 105.19 107.96 1h5y n GLY 153 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1h5y n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h5y s LEU 154 N 0.00 4.52 -0.14 0.99 1.43 -1.26 -4.97 118.68 119.25 1h5y s LEU 154 Ca 0.00 1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 54.09 1h5y s LEU 154 Cb 0.00 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1h5y s LEU 154 CO 0.00 0.27 0.93 -0.62 0.23 0.00 0.00 176.35 177.16 1h5y s ASP 155 N -1.07 7.11 0.36 2.29 -1.08 -1.26 -0.82 116.67 122.19 1h5y s ASP 155 Ca 0.29 1.36 0.09 0.00 -0.52 0.00 0.00 52.55 53.77 1h5y s ASP 155 Cb -0.19 -2.51 0.83 0.00 -1.46 0.00 0.00 42.92 39.58 1h5y s ASP 155 CO 0.19 -0.44 1.88 0.00 0.52 0.00 0.00 175.17 177.32 1h5y h ALA 156 N 7.22 1.84 -0.40 3.66 0.00 -0.96 -0.64 119.26 129.97 1h5y h ALA 156 Ca -0.29 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1h5y h ALA 156 Cb 1.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1h5y h ALA 156 CO 0.86 -0.07 0.01 0.28 0.00 0.00 0.00 179.25 180.33 1h5y h VAL 157 N 0.68 1.26 -0.38 0.00 2.07 -1.92 -1.21 116.25 116.74 1h5y h VAL 157 Ca 0.43 -0.99 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 1h5y h VAL 157 Cb 0.69 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1h5y h VAL 157 CO -0.19 0.34 -0.34 0.11 0.02 0.00 0.00 177.57 177.51 1h5y h LYS 158 N 0.53 0.87 -0.74 1.57 1.57 -1.73 -2.50 116.57 116.15 1h5y h LYS 158 Ca 0.11 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1h5y h LYS 158 Cb 0.46 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1h5y h LYS 158 CO 0.02 1.07 0.24 2.35 -0.57 0.00 0.00 179.45 182.56 1h5y h TRP 159 N 0.72 1.18 0.14 -1.35 -0.00 -1.09 -1.47 115.95 114.09 1h5y h TRP 159 Ca 0.07 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.89 58.85 1h5y h TRP 159 Cb 0.91 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.72 1h5y h TRP 159 CO 0.05 0.93 -0.11 0.00 -0.00 0.00 0.00 178.44 179.31 1h5y h ALA 160 N 1.15 -0.24 -0.90 2.65 0.00 -1.00 0.55 119.26 121.47 1h5y h ALA 160 Ca 0.24 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1h5y h ALA 160 Cb 0.30 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1h5y h ALA 160 CO -0.01 -0.65 0.56 0.87 0.00 0.00 0.00 179.25 180.02 1h5y h LYS 161 N -0.26 0.95 -0.05 0.00 1.57 -1.33 -1.53 116.57 115.93 1h5y h LYS 161 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1h5y h LYS 161 Cb 0.23 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1h5y h LYS 161 CO -0.01 0.63 0.02 1.49 -0.57 0.00 0.00 179.45 181.01 1h5y h GLU 162 N 0.98 0.08 0.00 3.15 4.81 -0.53 -1.13 114.58 121.94 1h5y h GLU 162 Ca 0.41 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1h5y h GLU 162 Cb 0.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1h5y h GLU 162 CO -0.20 0.25 -0.29 -0.39 -0.73 0.00 0.00 179.01 177.65 1h5y h VAL 163 N -0.12 0.92 0.32 0.32 -1.51 -0.68 -1.02 116.25 114.48 1h5y h VAL 163 Ca 0.02 -1.12 -0.02 0.00 -1.23 0.00 0.00 66.70 64.35 1h5y h VAL 163 Cb 0.21 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1h5y h VAL 163 CO -0.00 0.29 -0.15 -0.08 -1.23 0.00 0.00 177.57 176.39 1h5y h GLU 164 N 0.00 -0.42 -0.68 5.19 4.81 -1.12 0.68 114.58 123.05 1h5y h GLU 164 Ca -0.00 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1h5y h GLU 164 Cb 0.64 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 1h5y h GLU 164 CO 0.04 -0.16 0.45 1.49 -0.73 0.00 0.00 179.01 180.10 1h5y h GLU 165 N -0.63 0.44 0.00 1.92 4.57 -0.82 0.37 114.58 120.44 1h5y h GLU 165 Ca -0.04 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1h5y h GLU 165 Cb 0.45 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1h5y h GLU 165 CO 0.07 0.29 0.00 1.28 -1.18 0.00 0.00 179.01 179.48 1h5y n LEU 166 N -4.48 0.39 0.00 1.64 4.77 -0.42 -4.90 117.00 114.01 1h5y n LEU 166 Ca 0.12 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1h5y n LEU 166 Cb 0.42 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1h5y n LEU 166 CO 0.33 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1h5y n GLY 167 N 0.76 1.07 3.77 -0.72 0.00 0.12 -3.28 105.19 106.91 1h5y n GLY 167 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1h5y n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5y s ALA 168 N -2.00 3.65 -1.36 4.61 0.00 0.15 -4.26 121.76 122.55 1h5y s ALA 168 Ca 0.00 1.58 0.24 0.00 0.00 0.00 0.00 51.96 53.78 1h5y s ALA 168 Cb 0.00 -3.63 0.27 0.00 0.00 0.00 0.00 23.12 19.76 1h5y s ALA 168 CO 0.00 -1.04 1.25 0.41 0.00 0.00 0.00 175.76 176.39 1h5y n GLY 169 N 1.16 -0.80 3.62 0.00 0.00 0.11 -4.68 105.19 104.59 1h5y n GLY 169 Ca 0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 1h5y n GLY 169 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h5y s GLU 170 N -2.79 0.51 -0.18 1.61 2.12 -1.21 -4.12 118.70 114.63 1h5y s GLU 170 Ca 0.15 0.39 -0.04 0.00 0.36 0.00 0.00 54.97 55.82 1h5y s GLU 170 Cb 0.18 0.24 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 1h5y s GLU 170 CO 0.68 -0.10 -0.02 0.42 -0.54 0.00 0.00 175.26 175.70 1h5y s ILE 171 N -0.31 3.89 -0.52 -3.70 1.01 -0.74 -1.81 121.20 119.02 1h5y s ILE 171 Ca 0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 1h5y s ILE 171 Cb -0.03 -2.74 0.08 0.00 0.01 0.00 0.00 42.46 39.78 1h5y s ILE 171 CO -0.04 0.45 0.56 -0.22 0.00 0.00 0.00 174.94 175.69 1h5y s LEU 172 N 0.79 5.41 -0.35 2.97 0.20 -0.48 0.42 118.68 127.65 1h5y s LEU 172 Ca -0.00 -1.26 -0.09 0.00 0.69 0.00 0.00 54.13 53.47 1h5y s LEU 172 Cb -0.14 -2.31 0.02 0.00 -0.43 0.00 0.00 46.19 43.33 1h5y s LEU 172 CO 0.02 -0.86 0.16 -0.22 -0.29 0.00 0.00 176.35 175.16 1h5y s LEU 173 N 2.21 4.43 -0.12 -0.68 2.96 0.17 -0.20 118.68 127.44 1h5y s LEU 173 Ca 0.09 -0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 53.09 1h5y s LEU 173 Cb -0.23 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1h5y s LEU 173 CO 0.08 -0.32 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.82 1h5y s THR 174 N 1.53 3.48 -0.30 3.68 2.01 -0.34 -0.73 115.64 124.97 1h5y s THR 174 Ca 0.02 -0.52 -0.25 0.00 0.31 0.00 0.00 61.69 61.25 1h5y s THR 174 Cb -0.19 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1h5y s THR 174 CO 0.05 0.53 0.89 -0.55 -0.69 0.00 0.00 174.62 174.85 1h5y s SER 175 N 0.09 6.77 0.36 3.53 0.15 -1.10 -1.57 113.70 121.94 1h5y s SER 175 Ca -0.03 0.83 0.05 0.00 0.70 0.00 0.00 55.95 57.51 1h5y s SER 175 Cb -0.14 -2.46 0.68 0.00 -1.71 0.00 0.00 66.02 62.40 1h5y s SER 175 CO 0.04 -0.69 1.93 0.40 1.20 0.00 0.00 173.24 176.12 1h5y h ILE 176 N 5.62 1.17 -0.74 6.45 2.04 -0.71 -0.82 117.51 130.52 1h5y h ILE 176 Ca -0.23 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 1h5y h ILE 176 Cb 1.08 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1h5y h ILE 176 CO 0.93 0.22 0.21 0.44 0.00 0.00 0.00 178.15 179.95 1h5y h ASP 177 N 0.51 1.09 0.31 1.72 3.32 -1.91 -3.27 116.42 118.19 1h5y h ASP 177 Ca 0.12 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1h5y h ASP 177 Cb 0.22 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1h5y h ASP 177 CO -0.00 1.03 -1.73 0.54 -1.72 0.00 0.00 179.24 177.35 1h5y n ARG 178 N -4.24 0.65 -1.68 3.56 5.12 -1.02 -4.89 116.66 114.14 1h5y n ARG 178 Ca 0.06 -0.07 -0.54 0.00 -1.93 0.00 0.00 57.85 55.37 1h5y n ARG 178 Cb 0.24 -1.62 -0.06 0.00 -1.16 0.00 0.00 32.46 29.86 1h5y n ARG 178 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1h5y n ASP 179 N -2.46 2.48 0.00 0.55 2.03 -0.34 -1.17 116.55 117.64 1h5y n ASP 179 Ca -0.06 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.32 1h5y n ASP 179 Cb 0.64 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1h5y n ASP 179 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h5y n GLY 180 N 3.91 0.85 0.11 0.27 0.00 -1.26 -4.80 105.19 104.27 1h5y n GLY 180 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1h5y n GLY 180 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h5y h THR 181 N 0.00 0.00 -0.05 2.61 1.35 -1.43 -3.48 112.91 111.91 1h5y h THR 181 Ca 0.00 -0.91 -0.02 0.00 -0.55 0.00 0.00 66.41 64.93 1h5y h THR 181 Cb 0.01 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1h5y h THR 181 CO 0.00 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 175.86 1h5y n GLY 182 N 1.21 0.33 0.06 5.82 0.00 -1.20 -4.89 105.19 106.51 1h5y n GLY 182 Ca 0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1h5y n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h5y n LEU 183 N -0.11 0.45 0.00 0.99 4.77 -1.04 -3.83 117.00 118.23 1h5y n LEU 183 Ca -0.01 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1h5y n LEU 183 Cb 0.27 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1h5y n LEU 183 CO 0.01 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1h5y n GLY 184 N 1.43 3.46 3.68 -0.72 0.00 0.10 -4.97 105.19 108.17 1h5y n GLY 184 Ca 0.09 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 1h5y n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h5y s TYR 185 N -2.15 1.78 -0.76 1.61 2.02 -1.26 -4.42 117.35 114.17 1h5y s TYR 185 Ca 0.00 1.69 -0.22 0.00 -0.37 0.00 0.00 57.07 58.16 1h5y s TYR 185 Cb 0.00 -3.27 0.07 0.00 -0.40 0.00 0.00 41.96 38.37 1h5y s TYR 185 CO 0.00 -2.71 1.10 0.34 -1.57 0.00 0.00 175.55 172.70 1h5y s ASP 186 N -2.81 6.30 0.45 2.29 -1.08 -1.26 -4.86 116.67 115.69 1h5y s ASP 186 Ca 0.66 -1.17 0.24 0.00 -0.52 0.00 0.00 52.55 51.75 1h5y s ASP 186 Cb -0.22 -2.45 0.99 0.00 -1.46 0.00 0.00 42.92 39.78 1h5y s ASP 186 CO 0.58 -1.43 1.86 -0.37 0.52 0.00 0.00 175.17 176.33 1h5y h VAL 187 N 6.04 0.62 -0.37 1.11 -1.51 -1.93 -2.11 116.25 118.10 1h5y h VAL 187 Ca -0.15 -1.06 -0.09 0.00 -1.23 0.00 0.00 66.70 64.17 1h5y h VAL 187 Cb 1.05 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 1h5y h VAL 187 CO 1.21 0.23 -0.11 -0.08 -1.23 0.00 0.00 177.57 177.58 1h5y h GLU 188 N 0.00 0.74 -0.04 5.19 4.57 -1.97 0.00 114.58 123.07 1h5y h GLU 188 Ca -0.00 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1h5y h GLU 188 Cb 0.68 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1h5y h GLU 188 CO 0.03 0.89 0.02 1.25 -1.18 0.00 0.00 179.01 180.02 1h5y h LEU 189 N 0.53 0.05 -0.19 1.64 5.85 -1.87 -1.59 115.31 119.74 1h5y h LEU 189 Ca 0.09 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1h5y h LEU 189 Cb 0.63 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1h5y h LEU 189 CO 0.04 0.15 0.01 0.40 -0.34 0.00 0.00 178.44 178.71 1h5y h ILE 190 N -0.06 0.88 -0.13 4.05 2.04 -1.35 -1.82 117.51 121.12 1h5y h ILE 190 Ca 0.01 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1h5y h ILE 190 Cb 0.12 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1h5y h ILE 190 CO -0.00 0.01 -0.16 -0.09 0.00 0.00 0.00 178.15 177.92 1h5y h ARG 191 N 0.08 -0.19 -0.76 2.37 2.43 -0.84 0.27 114.38 117.73 1h5y h ARG 191 Ca 0.09 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1h5y h ARG 191 Cb 0.10 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1h5y h ARG 191 CO -0.14 -0.12 0.47 0.00 -1.51 0.00 0.00 179.97 178.67 1h5y h ARG 192 N -0.19 1.03 -0.11 0.20 3.08 -1.13 -0.31 114.38 116.94 1h5y h ARG 192 Ca 0.10 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1h5y h ARG 192 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1h5y h ARG 192 CO -0.25 0.72 -0.30 0.28 -1.07 0.00 0.00 179.97 179.35 1h5y h VAL 193 N 1.04 1.39 -0.90 2.04 2.07 -0.97 -2.97 116.25 117.96 1h5y h VAL 193 Ca 0.28 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1h5y h VAL 193 Cb -0.05 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1h5y h VAL 193 CO -0.05 0.47 0.53 0.00 0.02 0.00 0.00 177.57 178.54 1h5y h ALA 194 N 0.50 1.24 0.00 1.67 0.00 -0.32 0.64 119.26 123.00 1h5y h ALA 194 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1h5y h ALA 194 Cb 0.91 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1h5y h ALA 194 CO 0.06 0.64 -0.07 -0.44 0.00 0.00 0.00 179.25 179.45 1h5y h ASP 195 N 1.24 0.00 1.04 0.00 3.32 -1.09 -3.20 116.42 117.73 1h5y h ASP 195 Ca 0.32 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.17 1h5y h ASP 195 Cb -0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1h5y h ASP 195 CO -0.06 0.07 -0.94 0.28 -1.72 0.00 0.00 179.24 176.87 1h5y h SER 196 N 0.00 0.00 -3.59 6.45 0.02 -0.70 -3.47 113.55 112.26 1h5y h SER 196 Ca -0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 1h5y h SER 196 Cb 0.20 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.60 1h5y h SER 196 CO 0.01 0.94 -0.69 0.68 -1.14 0.00 0.00 176.83 176.63 1h5y s VAL 197 N -2.76 1.31 -0.26 2.27 -7.23 -1.13 -4.77 120.40 107.83 1h5y s VAL 197 Ca 0.01 -2.09 0.22 0.00 -1.81 0.00 0.00 61.98 58.31 1h5y s VAL 197 Cb 0.10 -2.20 -0.27 0.00 0.56 0.00 0.00 36.38 34.56 1h5y s VAL 197 CO 0.81 -0.46 0.64 0.54 -0.31 0.00 0.00 175.10 176.32 1h5y n ARG 198 N -0.40 0.51 -2.01 4.82 1.74 -1.26 -4.88 116.66 115.19 1h5y n ARG 198 Ca -0.07 -0.12 -0.33 0.00 -0.77 0.00 0.00 57.85 56.56 1h5y n ARG 198 Cb 0.62 -1.55 0.02 0.00 -1.02 0.00 0.00 32.46 30.53 1h5y n ARG 198 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1h5y s ILE 199 N -3.39 3.68 0.49 0.55 -4.36 -1.26 -4.98 121.20 111.93 1h5y s ILE 199 Ca -0.04 0.81 -0.24 0.00 -0.26 0.00 0.00 60.65 60.92 1h5y s ILE 199 Cb 0.14 -3.33 -0.07 0.00 1.25 0.00 0.00 42.46 40.46 1h5y s ILE 199 CO 0.88 -0.46 1.38 -2.84 0.24 0.00 0.00 174.94 174.14 1h5y s PRO 200 N -4.03 3.45 -0.15 0.37 0.01 -1.26 -4.83 135.00 128.56 1h5y s PRO 200 Ca 0.65 2.29 0.01 0.00 0.01 0.00 0.00 61.00 63.96 1h5y s PRO 200 Cb -0.17 -2.47 -0.00 0.00 0.01 0.00 0.00 34.50 31.87 1h5y s PRO 200 CO 0.37 -0.96 -0.16 0.08 0.01 0.00 0.00 177.00 176.33 1h5y s VAL 201 N -1.27 2.58 -0.22 3.83 1.01 -1.26 -1.79 120.40 123.28 1h5y s VAL 201 Ca 0.66 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1h5y s VAL 201 Cb -0.41 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1h5y s VAL 201 CO 0.51 0.52 0.47 -0.63 0.00 0.00 0.00 175.10 175.97 1h5y s ILE 202 N 0.77 5.13 -0.07 2.22 1.01 0.17 -0.51 121.20 129.92 1h5y s ILE 202 Ca -0.06 0.83 -0.21 0.00 0.00 0.00 0.00 60.65 61.20 1h5y s ILE 202 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1h5y s ILE 202 CO 0.00 0.17 0.61 0.00 0.00 0.00 0.00 174.94 175.72 1h5y s ALA 203 N 1.75 3.41 0.02 9.38 0.00 0.16 -0.66 121.76 135.82 1h5y s ALA 203 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1h5y s ALA 203 Cb -0.15 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1h5y s ALA 203 CO 0.09 -0.02 -0.08 0.45 0.00 0.00 0.00 175.76 176.20 1h5y s SER 204 N 0.58 0.93 0.00 0.00 0.15 0.09 0.01 113.70 115.47 1h5y s SER 204 Ca 0.32 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1h5y s SER 204 Cb -0.17 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 1h5y s SER 204 CO 0.15 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1h5y n GLY 205 N 2.27 0.85 0.00 9.45 0.00 -1.26 -2.69 105.19 113.81 1h5y n GLY 205 Ca -0.17 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1h5y n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5y n GLY 206 N 1.88 1.81 3.67 -0.02 0.00 -1.18 -4.06 105.19 107.29 1h5y n GLY 206 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1h5y n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5y n ALA 207 N -0.15 1.30 0.00 4.61 0.00 -1.26 0.00 120.51 125.01 1h5y n ALA 207 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1h5y n ALA 207 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 1h5y n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h5y n GLY 208 N 3.64 0.00 3.48 0.00 0.00 -1.25 -4.33 105.19 106.72 1h5y n GLY 208 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1h5y n GLY 208 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1h5y s ARG 209 N -0.60 1.34 0.39 1.61 1.70 -1.26 -5.01 118.95 117.12 1h5y s ARG 209 Ca 0.00 -1.05 0.08 0.00 -0.47 0.00 0.00 55.73 54.29 1h5y s ARG 209 Cb 0.00 0.46 0.79 0.00 -0.57 0.00 0.00 34.95 35.63 1h5y s ARG 209 CO 0.00 -0.54 1.95 -0.24 -1.08 0.00 0.00 175.30 175.38 1h5y h VAL 210 N 2.33 1.16 -0.60 4.99 3.04 -1.99 -1.83 116.25 123.34 1h5y h VAL 210 Ca -0.29 -0.62 0.12 0.00 -1.01 0.00 0.00 66.70 64.90 1h5y h VAL 210 Cb 1.25 1.00 -0.03 0.00 -2.01 0.00 0.00 31.29 31.49 1h5y h VAL 210 CO 0.40 0.21 0.40 -0.33 -1.01 0.00 0.00 177.57 177.25 1h5y h GLU 211 N 0.34 0.30 -0.36 4.17 3.07 -2.01 -2.15 114.58 117.94 1h5y h GLU 211 Ca 0.08 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1h5y h GLU 211 Cb 0.26 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1h5y h GLU 211 CO 0.01 0.20 0.19 0.45 -1.40 0.00 0.00 179.01 178.46 1h5y h HIS 212 N 0.31 0.47 -0.48 4.33 3.86 -1.75 -0.10 115.15 121.80 1h5y h HIS 212 Ca 0.28 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.40 1h5y h HIS 212 Cb 0.68 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 1h5y h HIS 212 CO -0.00 0.34 -0.06 0.74 0.86 0.00 0.00 177.93 179.81 1h5y h PHE 213 N 0.50 0.97 -0.47 2.45 -1.00 -1.54 -1.18 116.94 116.68 1h5y h PHE 213 Ca 0.13 -0.19 -0.04 0.00 2.81 0.00 0.00 57.97 60.68 1h5y h PHE 213 Cb 0.02 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.32 1h5y h PHE 213 CO 0.00 0.94 0.16 -0.92 -1.61 0.00 0.00 178.31 176.88 1h5y h TYR 214 N 0.73 0.75 -0.78 -0.55 3.20 -1.32 -2.27 116.97 116.74 1h5y h TYR 214 Ca 0.13 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1h5y h TYR 214 Cb 0.59 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1h5y h TYR 214 CO 0.04 0.66 0.52 0.93 -1.64 0.00 0.00 178.16 178.67 1h5y h GLU 215 N 0.63 1.02 -0.60 1.82 5.08 -0.89 0.47 114.58 122.12 1h5y h GLU 215 Ca 0.15 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1h5y h GLU 215 Cb 0.26 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1h5y h GLU 215 CO -0.01 0.68 0.06 0.00 -1.00 0.00 0.00 179.01 178.74 1h5y h ALA 216 N 1.51 0.80 -0.28 3.43 0.00 -0.92 -1.87 119.26 121.93 1h5y h ALA 216 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h5y h ALA 216 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1h5y h ALA 216 CO -0.06 0.58 0.12 0.00 0.00 0.00 0.00 179.25 179.89 1h5y h ALA 217 N 1.00 0.36 0.00 0.00 0.00 -0.67 -1.09 119.26 118.86 1h5y h ALA 217 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h5y h ALA 217 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1h5y h ALA 217 CO 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 1h5y h ALA 218 N 0.96 1.61 -0.00 0.00 0.00 -0.86 0.14 119.26 121.12 1h5y h ALA 218 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h5y h ALA 218 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h5y h ALA 218 CO -0.01 0.04 -0.21 0.00 0.00 0.00 0.00 179.25 179.07 1h5y n ALA 219 N -2.38 2.84 0.00 0.00 0.00 -0.71 -4.93 120.51 115.33 1h5y n ALA 219 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1h5y n ALA 219 Cb 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1h5y n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h5y n GLY 220 N 1.48 0.98 3.76 0.00 0.00 0.48 -3.52 105.19 108.37 1h5y n GLY 220 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1h5y n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5y s ALA 221 N -2.00 2.88 -0.10 4.61 0.00 -0.46 -4.75 121.76 121.95 1h5y s ALA 221 Ca 0.00 1.17 0.22 0.00 0.00 0.00 0.00 51.96 53.35 1h5y s ALA 221 Cb 0.00 -3.49 -0.23 0.00 0.00 0.00 0.00 23.12 19.39 1h5y s ALA 221 CO 0.00 -1.08 0.64 -0.25 0.00 0.00 0.00 175.76 175.07 1h5y n ASP 222 N -0.81 0.27 -3.68 0.00 8.00 0.34 -4.55 116.55 116.11 1h5y n ASP 222 Ca 0.09 0.10 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 1h5y n ASP 222 Cb 0.46 1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 42.98 1h5y n ASP 222 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h5y s ALA 223 N -3.43 -0.94 -0.07 2.24 0.00 -1.13 -1.88 121.76 116.55 1h5y s ALA 223 Ca -0.06 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.17 1h5y s ALA 223 Cb 0.12 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.62 1h5y s ALA 223 CO 0.87 -0.47 -0.23 0.14 0.00 0.00 0.00 175.76 176.07 1h5y s VAL 224 N -2.63 1.97 -0.04 0.00 -7.23 -0.52 -0.67 120.40 111.29 1h5y s VAL 224 Ca -0.04 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1h5y s VAL 224 Cb -0.00 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1h5y s VAL 224 CO -0.04 0.55 -0.07 -0.22 -0.31 0.00 0.00 175.10 175.01 1h5y s LEU 225 N 0.10 3.13 -0.05 1.32 2.96 0.10 -0.95 118.68 125.29 1h5y s LEU 225 Ca -0.11 -0.09 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 1h5y s LEU 225 Cb -0.15 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.85 1h5y s LEU 225 CO 0.06 0.33 0.45 0.00 -1.32 0.00 0.00 176.35 175.87 1h5y s ALA 226 N -0.88 -1.15 0.01 5.97 0.00 -0.88 -4.14 121.76 120.69 1h5y s ALA 226 Ca 0.14 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 1h5y s ALA 226 Cb -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1h5y s ALA 226 CO 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 175.76 175.47 1h5y n ALA 227 N 1.35 2.25 -0.06 0.00 0.00 -1.26 -1.26 120.51 121.53 1h5y n ALA 227 Ca -0.20 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 1h5y n ALA 227 Cb 0.56 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 1h5y n ALA 227 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1h5y h SER 228 N -0.10 -1.00 -0.87 0.00 0.02 -1.91 -0.42 113.55 109.28 1h5y h SER 228 Ca 0.00 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1h5y h SER 228 Cb 0.10 0.45 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1h5y h SER 228 CO 0.00 -0.33 0.57 0.25 -1.14 0.00 0.00 176.83 176.18 1h5y h LEU 229 N -0.31 1.00 -0.00 5.07 6.46 -1.90 0.15 115.31 125.77 1h5y h LEU 229 Ca 0.13 -0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.80 1h5y h LEU 229 Cb 0.53 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1h5y h LEU 229 CO -0.43 0.73 -0.26 -0.26 -0.62 0.00 0.00 178.44 177.60 1h5y h PHE 230 N 1.18 0.27 -0.08 1.25 0.04 -1.71 -1.10 116.94 116.79 1h5y h PHE 230 Ca 0.32 -0.14 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 1h5y h PHE 230 Cb -0.13 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 1h5y h PHE 230 CO 0.00 0.94 -0.28 0.45 -0.60 0.00 0.00 178.31 178.81 1h5y h HIS 231 N -0.48 0.16 -0.08 -0.55 3.86 -0.87 -0.89 115.15 116.30 1h5y h HIS 231 Ca -0.03 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1h5y h HIS 231 Cb 1.00 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.43 1h5y h HIS 231 CO 0.18 0.42 0.00 1.19 0.86 0.00 0.00 177.93 180.58 1h5y n PHE 232 N -4.16 0.10 -3.63 2.45 3.72 0.02 -4.92 117.46 111.05 1h5y n PHE 232 Ca -0.01 -0.05 -0.27 0.00 -0.05 0.00 0.00 57.45 57.07 1h5y n PHE 232 Cb 0.36 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1h5y n PHE 232 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1h5y n ARG 233 N -0.28 -5.06 -0.17 -1.08 5.12 -0.34 -4.88 116.66 109.97 1h5y n ARG 233 Ca 0.15 0.63 -0.09 0.00 -1.93 0.00 0.00 57.85 56.61 1h5y n ARG 233 Cb 0.18 -5.49 0.01 0.00 -1.16 0.00 0.00 32.46 26.00 1h5y n ARG 233 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1h5y h VAL 234 N -1.75 1.24 -3.82 1.55 2.07 -1.43 -3.45 116.25 110.67 1h5y h VAL 234 Ca -0.54 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 65.99 1h5y h VAL 234 Cb 1.35 0.87 -0.17 0.00 -1.52 0.00 0.00 31.29 31.82 1h5y h VAL 234 CO 0.62 0.31 -0.51 -0.76 0.02 0.00 0.00 177.57 177.25 1h5y s LEU 235 N -9.57 1.78 0.43 2.57 1.43 -1.25 -5.11 118.68 108.97 1h5y s LEU 235 Ca -0.13 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1h5y s LEU 235 Cb 0.11 0.64 -0.02 0.00 0.03 0.00 0.00 46.19 46.96 1h5y s LEU 235 CO 0.80 -0.54 0.68 -0.94 0.23 0.00 0.00 176.35 176.57 1h5y s SER 236 N -2.26 6.10 0.40 2.29 1.04 -1.26 -4.62 113.70 115.39 1h5y s SER 236 Ca -0.03 0.56 0.09 0.00 0.48 0.00 0.00 55.95 57.05 1h5y s SER 236 Cb 0.00 -1.92 0.88 0.00 0.10 0.00 0.00 66.02 65.08 1h5y s SER 236 CO -0.06 -0.55 1.99 0.40 0.98 0.00 0.00 173.24 176.00 1h5y h ILE 237 N 0.43 0.99 -0.51 -1.02 2.04 -1.96 -2.13 117.51 115.35 1h5y h ILE 237 Ca -0.48 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.07 1h5y h ILE 237 Cb 1.23 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1h5y h ILE 237 CO 0.60 0.10 -0.14 0.00 0.00 0.00 0.00 178.15 178.72 1h5y h ALA 238 N 1.67 0.79 -0.58 1.87 0.00 -1.93 -0.59 119.26 120.49 1h5y h ALA 238 Ca 0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1h5y h ALA 238 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1h5y h ALA 238 CO -0.08 0.66 0.07 1.96 0.00 0.00 0.00 179.25 181.86 1h5y h GLN 239 N 0.86 0.96 -0.10 0.00 4.20 -1.78 -0.79 115.11 118.46 1h5y h GLN 239 Ca 0.13 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1h5y h GLN 239 Cb 0.70 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1h5y h GLN 239 CO 0.05 0.90 0.04 0.28 -0.67 0.00 0.00 178.83 179.44 1h5y h VAL 240 N 0.90 1.14 -0.74 -0.54 2.07 -0.77 -1.73 116.25 116.58 1h5y h VAL 240 Ca 0.18 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1h5y h VAL 240 Cb 0.43 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1h5y h VAL 240 CO 0.01 0.12 0.48 0.11 0.02 0.00 0.00 177.57 178.32 1h5y h LYS 241 N 0.02 0.95 -0.87 1.57 1.57 -0.93 -0.61 116.57 118.27 1h5y h LYS 241 Ca 0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1h5y h LYS 241 Cb 0.16 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1h5y h LYS 241 CO -0.00 0.63 0.53 0.00 -0.57 0.00 0.00 179.45 180.04 1h5y h ARG 242 N 0.98 1.18 -0.23 3.15 3.08 -1.01 0.51 114.38 122.04 1h5y h ARG 242 Ca 0.27 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1h5y h ARG 242 Cb -0.09 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 1h5y h ARG 242 CO -0.07 0.82 0.06 -0.92 -1.07 0.00 0.00 179.97 178.79 1h5y h TYR 243 N 1.20 0.38 -0.42 3.04 3.20 -0.82 -1.92 116.97 121.62 1h5y h TYR 243 Ca 0.31 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1h5y h TYR 243 Cb -0.06 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1h5y h TYR 243 CO -0.00 0.47 0.11 -0.07 -1.64 0.00 0.00 178.16 177.03 1h5y h LEU 244 N 0.19 0.63 -0.67 2.82 3.38 -0.73 -2.49 115.31 118.44 1h5y h LEU 244 Ca 0.07 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1h5y h LEU 244 Cb 0.27 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1h5y h LEU 244 CO 0.00 0.69 0.36 0.50 0.09 0.00 0.00 178.44 180.08 1h5y h LYS 245 N 0.54 0.65 -0.01 1.13 3.64 -0.89 -0.37 116.57 121.26 1h5y h LYS 245 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1h5y h LYS 245 Cb 0.29 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1h5y h LYS 245 CO -0.00 0.43 0.01 1.49 -2.27 0.00 0.00 179.45 179.11 1h5y h GLU 246 N 0.67 0.00 -0.37 1.90 4.22 -1.13 -0.45 114.58 119.41 1h5y h GLU 246 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1h5y h GLU 246 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1h5y h GLU 246 CO -0.19 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 177.18 1h5y n ARG 247 N -4.46 1.90 -0.74 1.92 1.74 -0.28 -4.90 116.66 111.85 1h5y n ARG 247 Ca -0.03 -1.40 0.00 0.00 -0.77 0.00 0.00 57.85 55.66 1h5y n ARG 247 Cb 0.10 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1h5y n ARG 247 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h5y n GLY 248 N 1.13 0.57 3.74 -0.13 0.00 -0.18 -5.04 105.19 105.29 1h5y n GLY 248 Ca 0.14 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1h5y n GLY 248 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h5y s VAL 249 N -2.00 5.08 -0.29 1.61 1.01 -0.43 -4.54 120.40 120.84 1h5y s VAL 249 Ca 0.00 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 1h5y s VAL 249 Cb 0.00 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1h5y s VAL 249 CO 0.00 0.37 1.37 -0.70 0.00 0.00 0.00 175.10 176.13 1h5y s GLU 250 N 0.27 3.87 0.12 2.72 2.56 0.24 -3.81 118.70 124.67 1h5y s GLU 250 Ca 0.28 1.30 0.04 0.00 0.00 0.00 0.00 54.97 56.58 1h5y s GLU 250 Cb -0.16 -3.92 -0.04 0.00 2.00 0.00 0.00 34.13 32.01 1h5y s GLU 250 CO 0.13 -1.19 -0.09 0.14 -0.56 0.00 0.00 175.26 173.69 1h5y s VAL 251 N 4.61 0.99 -0.46 3.70 -7.23 -1.26 -1.85 120.40 118.90 1h5y s VAL 251 Ca 0.59 -1.94 -0.26 0.00 -1.81 0.00 0.00 61.98 58.56 1h5y s VAL 251 Cb -0.18 -1.70 0.03 0.00 0.56 0.00 0.00 36.38 35.09 1h5y s VAL 251 CO 0.25 -0.74 0.95 -0.60 -0.31 0.00 0.00 175.10 174.64 1h5y s ARG 252 N -3.57 3.56 0.00 4.82 3.52 -1.26 -5.03 118.95 120.98 1h5y s ARG 252 Ca 0.13 0.21 0.22 0.00 -0.13 0.00 0.00 55.73 56.17 1h5y s ARG 252 Cb 0.02 -3.92 0.18 0.00 -1.56 0.00 0.00 34.95 29.67 1h5y s ARG 252 CO -0.01 -1.23 1.21 -0.89 -0.81 0.00 0.00 175.30 173.57