#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1azd s ASP 2 N 0.00 6.95 -0.24 0.00 1.01 -1.26 -5.04 116.67 118.09 1azd s ASP 2 Ca 0.00 1.90 -0.18 0.00 0.71 0.00 0.00 52.55 54.98 1azd s ASP 2 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1azd s ASP 2 CO 0.00 -0.35 0.50 -0.89 0.21 0.00 0.00 175.17 174.64 1azd s THR 3 N -1.78 5.09 -0.08 -1.27 2.01 -1.26 -5.04 115.64 113.32 1azd s THR 3 Ca 0.57 0.89 0.04 0.00 0.31 0.00 0.00 61.69 63.49 1azd s THR 3 Cb -0.18 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1azd s THR 3 CO 0.23 0.13 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.47 1azd s ILE 4 N 2.00 1.65 -0.12 1.82 -1.09 -1.26 -3.21 121.20 120.99 1azd s ILE 4 Ca 0.22 -0.79 0.02 0.00 -2.23 0.00 0.00 60.65 57.87 1azd s ILE 4 Cb -0.15 -1.44 -0.00 0.00 -1.58 0.00 0.00 42.46 39.28 1azd s ILE 4 CO 0.09 0.47 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.39 1azd s VAL 5 N 0.38 2.45 0.04 2.92 1.01 -0.59 -0.64 120.40 125.98 1azd s VAL 5 Ca -0.14 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 1azd s VAL 5 Cb -0.16 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 1azd s VAL 5 CO 0.06 0.54 0.14 0.00 0.00 0.00 0.00 175.10 175.84 1azd s ALA 6 N 0.43 -0.20 -0.19 5.51 0.00 -0.78 -0.05 121.76 126.48 1azd s ALA 6 Ca -0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 1azd s ALA 6 Cb -0.17 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 1azd s ALA 6 CO 0.06 -0.35 -0.10 0.08 0.00 0.00 0.00 175.76 175.46 1azd s VAL 7 N -2.65 3.00 -0.13 0.00 1.01 0.02 -1.26 120.40 120.39 1azd s VAL 7 Ca -0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1azd s VAL 7 Cb -0.01 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1azd s VAL 7 CO -0.05 0.47 -0.01 -1.83 0.00 0.00 0.00 175.10 173.68 1azd s GLU 8 N 1.19 3.42 -0.53 2.72 -1.05 -0.06 -1.63 118.70 122.76 1azd s GLU 8 Ca 0.02 -0.46 -0.17 0.00 -0.15 0.00 0.00 54.97 54.21 1azd s GLU 8 Cb -0.14 -2.89 0.10 0.00 -0.44 0.00 0.00 34.13 30.76 1azd s GLU 8 CO -0.03 0.43 0.51 -0.51 0.95 0.00 0.00 175.26 176.61 1azd s LEU 9 N -0.14 5.80 -0.33 1.83 1.02 0.10 -1.28 118.68 125.69 1azd s LEU 9 Ca 0.04 -1.53 -0.10 0.00 0.02 0.00 0.00 54.13 52.56 1azd s LEU 9 Cb -0.13 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.85 1azd s LEU 9 CO 0.02 -0.84 0.18 -0.62 0.02 0.00 0.00 176.35 175.11 1azd s ASP 10 N 3.23 5.66 0.00 2.29 -1.08 -0.10 -0.95 116.67 125.73 1azd s ASP 10 Ca 0.06 -0.66 0.23 0.00 -0.52 0.00 0.00 52.55 51.66 1azd s ASP 10 Cb -0.27 -2.03 0.56 0.00 -1.46 0.00 0.00 42.92 39.73 1azd s ASP 10 CO 0.05 -0.26 1.46 0.35 0.52 0.00 0.00 175.17 177.30 1azd n THR 11 N 5.00 0.26 -3.68 1.71 -2.24 -0.79 -2.05 114.28 112.49 1azd n THR 11 Ca -0.13 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.02 1azd n THR 11 Cb 0.48 0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 69.41 1azd n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1azd s TYR 12 N -1.74 -0.53 -0.69 4.78 6.14 -1.26 -4.54 117.35 119.51 1azd s TYR 12 Ca 0.35 1.12 -0.22 0.00 0.64 0.00 0.00 57.07 58.96 1azd s TYR 12 Cb 0.20 0.12 0.08 0.00 0.42 0.00 0.00 41.96 42.78 1azd s TYR 12 CO 0.30 -0.36 0.97 -1.25 0.64 0.00 0.00 175.55 175.85 1azd s PRO 13 N 2.02 3.17 -1.20 4.97 0.04 -1.26 -4.95 135.00 137.79 1azd s PRO 13 Ca -0.04 -1.00 -0.17 0.00 0.04 0.00 0.00 61.00 59.83 1azd s PRO 13 Cb -0.11 -4.33 0.10 0.00 0.04 0.00 0.00 34.50 30.20 1azd s PRO 13 CO -0.10 -1.79 1.55 -0.80 0.04 0.00 0.00 177.00 175.90 1azd s ASN 14 N 3.69 6.85 0.46 6.66 -0.87 -1.26 -4.84 114.94 125.62 1azd s ASN 14 Ca 0.23 -2.44 0.16 0.00 -1.57 0.00 0.00 52.86 49.23 1azd s ASN 14 Cb -0.16 -2.51 1.07 0.00 -0.02 0.00 0.00 41.25 39.63 1azd s ASN 14 CO 0.07 -1.08 2.01 0.71 -2.57 0.00 0.00 177.10 176.24 1azd h THR 15 N 5.49 1.06 0.00 1.60 1.35 -1.89 -1.99 112.91 118.53 1azd h THR 15 Ca 0.35 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1azd h THR 15 Cb 0.90 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1azd h THR 15 CO 1.36 0.17 0.00 -0.90 -0.25 0.00 0.00 175.52 175.89 1azd n ASP 16 N -4.25 0.43 -0.54 5.36 5.75 -1.26 -1.60 116.55 120.45 1azd n ASP 16 Ca -0.02 0.66 0.07 0.00 -0.01 0.00 0.00 54.79 55.48 1azd n ASP 16 Cb 0.24 -0.73 0.15 0.00 -1.03 0.00 0.00 41.12 39.75 1azd n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1azd n ILE 17 N -2.03 1.71 0.00 2.12 -5.35 -0.76 -4.98 119.36 110.07 1azd n ILE 17 Ca 0.00 -2.48 0.00 0.00 -0.27 0.00 0.00 62.75 60.01 1azd n ILE 17 Cb 0.10 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 1azd n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1azd n GLY 18 N -0.95 1.05 3.72 3.28 0.00 -0.62 -4.60 105.19 107.06 1azd n GLY 18 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1azd n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1azd s ASP 19 N -2.00 7.39 0.37 1.61 1.11 -1.12 -4.84 116.67 119.18 1azd s ASP 19 Ca 0.00 1.82 -0.25 0.00 0.18 0.00 0.00 52.55 54.30 1azd s ASP 19 Cb 0.00 -2.58 -0.13 0.00 1.07 0.00 0.00 42.92 41.28 1azd s ASP 19 CO 0.00 -0.18 0.84 -0.81 1.18 0.00 0.00 175.17 176.19 1azd n PRO 20 N 3.18 1.02 -0.41 8.23 -0.04 -1.26 -4.27 135.00 141.45 1azd n PRO 20 Ca 0.04 0.36 -0.01 0.00 -0.04 0.00 0.00 63.50 63.86 1azd n PRO 20 Cb 0.49 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 1azd n PRO 20 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1azd n SER 21 N 1.03 4.03 -3.59 3.54 3.41 -1.26 -4.69 113.62 116.09 1azd n SER 21 Ca 0.11 -2.08 -0.12 0.00 -0.26 0.00 0.00 58.87 56.52 1azd n SER 21 Cb 0.36 -0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 1azd n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1azd s TYR 22 N 0.57 -0.32 -0.00 7.33 -0.85 -1.26 -4.97 117.35 117.86 1azd s TYR 22 Ca 0.04 0.15 -0.40 0.00 -0.52 0.00 0.00 57.07 56.34 1azd s TYR 22 Cb 0.02 0.32 -0.20 0.00 0.38 0.00 0.00 41.96 42.48 1azd s TYR 22 CO 0.00 -0.69 1.07 -2.30 -1.52 0.00 0.00 175.55 172.11 1azd n PRO 23 N 0.02 0.01 -3.72 -3.49 -0.02 -1.26 -4.66 135.00 121.87 1azd n PRO 23 Ca -0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.19 1azd n PRO 23 Cb 0.62 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 1azd n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1azd s HIS 24 N 0.01 -0.18 0.15 6.00 -3.43 -0.87 0.76 115.29 117.73 1azd s HIS 24 Ca 0.91 0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 55.27 1azd s HIS 24 Cb -1.27 0.14 -0.05 0.00 -1.43 0.00 0.00 32.58 29.97 1azd s HIS 24 CO 0.57 -0.51 0.34 0.96 -2.00 0.00 0.00 174.74 174.10 1azd s ILE 25 N -2.31 5.24 0.16 -5.38 -4.36 -0.44 -0.93 121.20 113.18 1azd s ILE 25 Ca -0.07 -0.25 -0.13 0.00 -0.26 0.00 0.00 60.65 59.95 1azd s ILE 25 Cb -0.02 -3.67 0.01 0.00 1.25 0.00 0.00 42.46 40.03 1azd s ILE 25 CO -0.02 -0.03 0.37 -0.83 0.24 0.00 0.00 174.94 174.68 1azd s GLY 26 N -2.78 0.16 -0.23 6.27 0.00 -0.40 -1.00 107.32 109.34 1azd s GLY 26 Ca 0.38 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.53 1azd s GLY 26 CO 0.27 -0.57 -0.05 -0.42 0.00 0.00 0.00 173.10 172.33 1azd s ILE 27 N -3.91 3.20 -0.16 0.90 1.01 -0.30 -0.88 121.20 121.06 1azd s ILE 27 Ca 0.12 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 1azd s ILE 27 Cb 0.02 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1azd s ILE 27 CO -0.03 0.36 0.05 -1.81 0.00 0.00 0.00 174.94 173.51 1azd s ASP 28 N 1.43 5.52 -0.44 3.58 1.01 -0.39 -0.21 116.67 127.17 1azd s ASP 28 Ca 0.04 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.43 1azd s ASP 28 Cb -0.15 -1.88 0.12 0.00 1.01 0.00 0.00 42.92 42.02 1azd s ASP 28 CO -0.04 0.22 0.19 -0.63 0.21 0.00 0.00 175.17 175.12 1azd s ILE 29 N 0.10 2.17 0.00 0.77 -1.09 -1.26 -1.87 121.20 120.02 1azd s ILE 29 Ca 0.04 -2.79 0.00 0.00 -2.23 0.00 0.00 60.65 55.68 1azd s ILE 29 Cb -0.12 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 1azd s ILE 29 CO 0.01 -0.75 0.00 0.29 -1.23 0.00 0.00 174.94 173.25 1azd n LYS 30 N 3.62 0.00 -4.14 2.79 5.02 0.18 -4.93 118.16 120.70 1azd n LYS 30 Ca 0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.19 1azd n LYS 30 Cb 0.36 -2.58 -0.11 0.00 -0.02 0.00 0.00 35.03 32.68 1azd n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1azd s SER 31 N -3.14 1.30 0.48 4.39 0.15 -1.26 -4.86 113.70 110.75 1azd s SER 31 Ca 0.00 -0.69 0.27 0.00 0.70 0.00 0.00 55.95 56.23 1azd s SER 31 Cb 0.00 0.01 0.72 0.00 -1.71 0.00 0.00 66.02 65.04 1azd s SER 31 CO 0.00 -0.21 1.75 1.62 1.20 0.00 0.00 173.24 177.60 1azd h VAL 32 N 4.01 0.05 -1.61 4.45 3.04 -1.86 -3.40 116.25 120.93 1azd h VAL 32 Ca -0.38 -0.87 -0.52 0.00 -1.01 0.00 0.00 66.70 63.93 1azd h VAL 32 Cb 1.19 1.83 -0.07 0.00 -2.01 0.00 0.00 31.29 32.23 1azd h VAL 32 CO 0.46 0.02 1.21 -0.13 -1.01 0.00 0.00 177.57 178.12 1azd s ARG 33 N -3.38 3.14 0.43 4.17 0.52 -1.26 -4.95 118.95 117.62 1azd s ARG 33 Ca 0.05 -0.42 -0.23 0.00 -0.52 0.00 0.00 55.73 54.60 1azd s ARG 33 Cb 0.07 -4.76 -0.11 0.00 0.52 0.00 0.00 34.95 30.67 1azd s ARG 33 CO 0.63 -2.45 0.88 0.43 0.02 0.00 0.00 175.30 174.80 1azd n SER 34 N 10.45 0.64 0.24 0.23 7.64 -1.26 -4.84 113.62 126.72 1azd n SER 34 Ca 0.22 0.98 0.13 0.00 1.01 0.00 0.00 58.87 61.21 1azd n SER 34 Cb 0.50 -1.29 0.52 0.00 -1.01 0.00 0.00 64.21 62.93 1azd n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1azd h LYS 35 N 1.25 0.00 -1.61 1.43 1.79 -0.93 -3.46 116.57 115.03 1azd h LYS 35 Ca -0.44 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.09 1azd h LYS 35 Cb 1.36 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.75 1azd h LYS 35 CO 0.55 0.12 0.45 0.21 -1.08 0.00 0.00 179.45 179.70 1azd s LYS 36 N -3.61 0.52 0.27 3.15 2.47 -1.24 -5.00 119.74 116.29 1azd s LYS 36 Ca 0.01 0.59 0.06 0.00 -1.56 0.00 0.00 55.97 55.07 1azd s LYS 36 Cb 0.09 0.25 -0.02 0.00 -1.46 0.00 0.00 37.83 36.69 1azd s LYS 36 CO 0.60 -0.07 0.21 0.25 0.16 0.00 0.00 175.35 176.50 1azd n THR 37 N 2.14 0.00 -3.60 3.43 -2.24 -1.26 -1.16 114.28 111.60 1azd n THR 37 Ca -0.12 -1.91 -0.15 0.00 -2.27 0.00 0.00 64.05 59.60 1azd n THR 37 Cb 0.56 0.92 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1azd n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1azd s ALA 38 N -3.04 -1.80 0.37 6.98 0.00 -0.17 -4.96 121.76 119.13 1azd s ALA 38 Ca 0.29 1.82 -0.28 0.00 0.00 0.00 0.00 51.96 53.80 1azd s ALA 38 Cb 0.01 -0.88 -0.10 0.00 0.00 0.00 0.00 23.12 22.15 1azd s ALA 38 CO 0.21 -0.34 1.37 0.21 0.00 0.00 0.00 175.76 177.21 1azd s LYS 39 N -0.09 4.14 -0.08 0.00 2.20 -1.26 -1.33 119.74 123.32 1azd s LYS 39 Ca -0.03 2.32 -0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1azd s LYS 39 Cb -0.04 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.37 1azd s LYS 39 CO 0.03 -0.41 -0.05 -0.46 -0.36 0.00 0.00 175.35 174.10 1azd s TRP 40 N -1.17 1.06 -1.18 4.03 -0.00 0.23 -4.74 118.94 117.18 1azd s TRP 40 Ca 0.53 -0.43 -0.17 0.00 -0.00 0.00 0.00 56.10 56.04 1azd s TRP 40 Cb -0.42 -0.97 0.12 0.00 -0.00 0.00 0.00 33.47 32.21 1azd s TRP 40 CO 0.55 -0.37 1.49 -0.80 -0.00 0.00 0.00 176.95 177.82 1azd s ASN 41 N 1.57 6.89 -0.05 5.86 0.02 -1.26 -4.39 114.94 123.58 1azd s ASN 41 Ca 0.00 -2.56 -0.34 0.00 -1.02 0.00 0.00 52.86 48.94 1azd s ASN 41 Cb -0.13 -2.47 -0.12 0.00 0.02 0.00 0.00 41.25 38.55 1azd s ASN 41 CO -0.05 -0.99 1.84 0.80 0.02 0.00 0.00 177.10 178.72 1azd n MET 42 N 6.91 2.18 -3.50 -0.60 0.00 -1.26 -4.93 117.12 115.92 1azd n MET 42 Ca 0.38 0.80 -0.41 0.00 -0.00 0.00 0.00 57.70 58.47 1azd n MET 42 Cb 0.45 -2.63 -0.04 0.00 0.00 0.00 0.00 33.22 31.00 1azd n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1azd s GLN 43 N 3.58 3.53 -0.16 2.12 -0.21 -1.26 -5.05 119.66 122.22 1azd s GLN 43 Ca 0.91 -2.99 -0.38 0.00 0.02 0.00 0.00 55.36 52.91 1azd s GLN 43 Cb -0.69 -4.20 -0.15 0.00 1.00 0.00 0.00 33.01 28.97 1azd s GLN 43 CO 0.49 -1.25 1.69 -1.71 -2.12 0.00 0.00 175.29 172.39 1azd n ASN 44 N 2.93 2.47 0.00 5.90 5.15 -1.26 -1.44 115.26 129.02 1azd n ASN 44 Ca 0.19 1.07 0.00 0.00 -0.60 0.00 0.00 54.58 55.23 1azd n ASN 44 Cb 0.40 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 1azd n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1azd n GLY 45 N 3.88 2.59 3.90 8.20 0.00 -0.03 -4.99 105.19 118.74 1azd n GLY 45 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1azd n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1azd s LYS 46 N -0.96 3.58 -0.20 1.61 -0.14 -0.52 -4.94 119.74 118.16 1azd s LYS 46 Ca 0.00 -0.15 -0.24 0.00 -1.36 0.00 0.00 55.97 54.21 1azd s LYS 46 Cb 0.00 -2.92 -0.01 0.00 -1.68 0.00 0.00 37.83 33.22 1azd s LYS 46 CO 0.00 0.52 0.80 0.08 -0.76 0.00 0.00 175.35 175.99 1azd s VAL 47 N -1.58 4.88 0.51 3.17 1.01 -1.26 -4.35 120.40 122.77 1azd s VAL 47 Ca 0.38 1.55 0.07 0.00 0.00 0.00 0.00 61.98 63.98 1azd s VAL 47 Cb -0.12 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1azd s VAL 47 CO 0.24 -0.00 0.45 -0.83 0.00 0.00 0.00 175.10 174.96 1azd s GLY 48 N 1.24 2.21 -0.05 4.51 0.00 -0.14 -4.18 107.32 110.90 1azd s GLY 48 Ca 0.36 -1.59 -0.02 0.00 0.00 0.00 0.00 44.72 43.46 1azd s GLY 48 CO 0.10 -1.84 0.10 -1.59 0.00 0.00 0.00 173.10 169.88 1azd s THR 49 N -2.67 -0.09 -0.11 0.90 2.01 -0.37 -1.63 115.64 113.68 1azd s THR 49 Ca 0.42 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.69 1azd s THR 49 Cb -0.03 -0.19 -0.00 0.00 0.01 0.00 0.00 72.50 72.29 1azd s THR 49 CO 0.26 0.10 -0.21 0.00 -0.69 0.00 0.00 174.62 174.07 1azd s ALA 50 N 1.39 2.28 -0.18 7.40 0.00 -0.91 -1.03 121.76 130.71 1azd s ALA 50 Ca -0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 1azd s ALA 50 Cb -0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1azd s ALA 50 CO -0.05 0.23 -0.10 -1.01 0.00 0.00 0.00 175.76 174.83 1azd s HIS 51 N 0.42 2.87 -0.06 0.00 3.76 -0.19 -2.53 115.29 119.55 1azd s HIS 51 Ca -0.15 -0.96 -0.01 0.00 -0.15 0.00 0.00 55.06 53.79 1azd s HIS 51 Cb -0.17 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 1azd s HIS 51 CO 0.07 -0.47 -0.01 0.42 -0.85 0.00 0.00 174.74 173.90 1azd s ILE 52 N 1.03 4.20 0.00 0.60 1.09 0.24 -1.40 121.20 126.95 1azd s ILE 52 Ca -0.01 -0.37 -0.01 0.00 -1.10 0.00 0.00 60.65 59.16 1azd s ILE 52 Cb -0.15 -2.79 -0.01 0.00 -1.06 0.00 0.00 42.46 38.46 1azd s ILE 52 CO -0.02 0.54 0.02 -0.63 -0.10 0.00 0.00 174.94 174.75 1azd s ILE 53 N -0.93 0.05 -0.14 2.92 1.01 -0.25 -1.56 121.20 122.29 1azd s ILE 53 Ca 0.15 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 1azd s ILE 53 Cb -0.11 -0.16 0.06 0.00 0.01 0.00 0.00 42.46 42.26 1azd s ILE 53 CO 0.04 -0.22 0.64 -0.47 0.00 0.00 0.00 174.94 174.94 1azd s TYR 54 N -0.64 -0.65 -0.11 3.97 5.04 -0.50 -1.65 117.35 122.81 1azd s TYR 54 Ca -0.07 1.36 -0.19 0.00 -2.44 0.00 0.00 57.07 55.74 1azd s TYR 54 Cb -0.04 0.31 0.04 0.00 0.35 0.00 0.00 41.96 42.62 1azd s TYR 54 CO -0.00 -0.47 0.46 0.54 -1.34 0.00 0.00 175.55 174.74 1azd s ASN 55 N -0.48 -0.44 0.00 4.32 2.20 -1.26 -1.21 114.94 118.07 1azd s ASN 55 Ca -0.06 0.67 0.30 0.00 -0.94 0.00 0.00 52.86 52.83 1azd s ASN 55 Cb -0.03 0.71 1.46 0.00 -2.00 0.00 0.00 41.25 41.39 1azd s ASN 55 CO 0.05 -0.32 2.02 -1.54 -2.94 0.00 0.00 177.10 174.37 1azd n SER 56 N 2.04 0.02 -0.05 3.54 3.41 0.41 -1.45 113.62 121.54 1azd n SER 56 Ca -0.17 -0.05 -0.12 0.00 -0.26 0.00 0.00 58.87 58.28 1azd n SER 56 Cb 0.57 -0.31 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 1azd n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1azd h VAL 57 N 0.02 1.44 0.00 -3.33 2.07 -1.85 -3.34 116.25 111.26 1azd h VAL 57 Ca 0.00 -1.97 -0.14 0.00 0.82 0.00 0.00 66.70 65.41 1azd h VAL 57 Cb 0.33 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1azd h VAL 57 CO 0.00 0.47 -0.68 1.23 0.02 0.00 0.00 177.57 178.61 1azd h GLY 58 N -0.95 0.00 -6.25 2.17 0.00 -1.95 -3.47 103.07 92.62 1azd h GLY 58 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1azd h GLY 58 CO 0.00 0.00 -0.84 0.28 0.00 0.00 0.00 176.54 175.98 1azd n LYS 59 N -3.64 -4.46 -3.69 4.80 5.02 -0.53 -4.94 118.16 110.73 1azd n LYS 59 Ca -0.01 0.55 -0.26 0.00 -2.02 0.00 0.00 58.31 56.57 1azd n LYS 59 Cb 0.69 -5.02 -0.17 0.00 -0.02 0.00 0.00 35.03 30.51 1azd n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1azd s ARG 60 N -6.25 0.37 -0.13 1.97 3.52 -1.26 -0.85 118.95 116.32 1azd s ARG 60 Ca 0.10 -0.16 -0.25 0.00 -0.13 0.00 0.00 55.73 55.30 1azd s ARG 60 Cb -0.05 -1.71 -0.02 0.00 -1.56 0.00 0.00 34.95 31.60 1azd s ARG 60 CO 0.84 -0.58 0.78 -1.17 -0.81 0.00 0.00 175.30 174.36 1azd s LEU 61 N 2.00 4.23 0.12 -0.88 2.96 -0.37 -4.51 118.68 122.23 1azd s LEU 61 Ca 0.01 1.17 0.06 0.00 -0.22 0.00 0.00 54.13 55.16 1azd s LEU 61 Cb -0.16 -3.18 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 1azd s LEU 61 CO -0.08 -0.29 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.08 1azd s SER 62 N 1.05 2.05 -0.01 3.68 0.01 -0.66 -0.69 113.70 119.13 1azd s SER 62 Ca 0.38 -0.81 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 1azd s SER 62 Cb -0.17 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1azd s SER 62 CO 0.15 -0.14 0.12 0.00 0.41 0.00 0.00 173.24 173.79 1azd s ALA 63 N -2.12 -0.29 -0.02 1.44 0.00 0.90 -1.09 121.76 120.58 1azd s ALA 63 Ca 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1azd s ALA 63 Cb -0.05 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1azd s ALA 63 CO 0.03 -0.17 -0.05 0.08 0.00 0.00 0.00 175.76 175.66 1azd s VAL 64 N -1.01 0.46 -0.14 0.00 1.01 -0.49 -1.42 120.40 118.81 1azd s VAL 64 Ca -0.11 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1azd s VAL 64 Cb -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1azd s VAL 64 CO 0.01 0.16 -0.19 -0.69 0.00 0.00 0.00 175.10 174.39 1azd s VAL 65 N 0.27 2.39 0.03 2.92 1.01 -0.44 -1.03 120.40 125.56 1azd s VAL 65 Ca -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1azd s VAL 65 Cb -0.07 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1azd s VAL 65 CO -0.00 0.54 -0.09 -0.94 0.00 0.00 0.00 175.10 174.60 1azd s SER 66 N 0.69 1.08 0.10 3.32 1.04 -0.20 -1.11 113.70 118.62 1azd s SER 66 Ca -0.09 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 55.99 1azd s SER 66 Cb -0.16 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1azd s SER 66 CO 0.02 -0.06 -0.05 -0.31 0.98 0.00 0.00 173.24 173.82 1azd s TYR 67 N -0.90 2.86 0.12 5.02 2.02 -0.41 -1.24 117.35 124.82 1azd s TYR 67 Ca -0.03 -0.09 -0.31 0.00 -0.37 0.00 0.00 57.07 56.26 1azd s TYR 67 Cb -0.07 -1.48 -0.11 0.00 -0.40 0.00 0.00 41.96 39.90 1azd s TYR 67 CO 0.01 0.46 1.84 -0.35 -1.57 0.00 0.00 175.55 175.94 1azd n PRO 68 N 0.61 2.81 -2.53 -1.71 -0.04 -1.26 -3.35 135.00 129.53 1azd n PRO 68 Ca -0.12 1.02 -0.03 0.00 -0.04 0.00 0.00 63.50 64.33 1azd n PRO 68 Cb 0.52 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1azd n PRO 68 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1azd n ASN 69 N 5.67 -6.82 0.00 3.54 3.02 -1.26 -4.85 115.26 114.57 1azd n ASN 69 Ca 0.18 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.53 1azd n ASN 69 Cb 0.37 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.03 1azd n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1azd n GLY 70 N 0.12 0.97 3.77 7.41 0.00 -1.21 -5.10 105.19 111.15 1azd n GLY 70 Ca 0.05 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1azd n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1azd s ASP 71 N -4.00 6.65 -0.04 1.61 1.11 -1.26 -4.72 116.67 116.02 1azd s ASP 71 Ca 0.00 2.79 0.01 0.00 0.18 0.00 0.00 52.55 55.53 1azd s ASP 71 Cb 0.00 -2.65 0.02 0.00 1.07 0.00 0.00 42.92 41.36 1azd s ASP 71 CO 0.00 -0.64 -0.04 -0.94 1.18 0.00 0.00 175.17 174.73 1azd s SER 72 N -0.32 0.80 0.12 0.27 1.04 -1.26 -1.29 113.70 113.06 1azd s SER 72 Ca 0.51 -0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.85 1azd s SER 72 Cb -0.42 -0.39 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 1azd s SER 72 CO 0.55 -0.06 0.26 0.00 0.98 0.00 0.00 173.24 174.97 1azd s ALA 73 N 0.90 3.98 -0.03 5.32 0.00 -0.27 -4.98 121.76 126.69 1azd s ALA 73 Ca -0.11 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 1azd s ALA 73 Cb -0.14 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.21 1azd s ALA 73 CO -0.00 0.62 0.38 -0.08 0.00 0.00 0.00 175.76 176.68 1azd s THR 74 N -1.68 0.04 -0.22 0.00 -1.32 -1.26 -1.33 115.64 109.87 1azd s THR 74 Ca 0.35 -0.36 -0.24 0.00 -1.21 0.00 0.00 61.69 60.23 1azd s THR 74 Cb -0.12 -0.68 0.06 0.00 -1.51 0.00 0.00 72.50 70.26 1azd s THR 74 CO 0.28 -0.20 0.66 0.54 -2.21 0.00 0.00 174.62 173.70 1azd s VAL 75 N -1.19 0.00 0.05 5.08 0.11 -0.51 -4.76 120.40 119.19 1azd s VAL 75 Ca -0.12 -0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 1azd s VAL 75 Cb -0.04 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1azd s VAL 75 CO 0.05 -0.00 0.00 -0.44 -3.33 0.00 0.00 175.10 171.38 1azd s SER 76 N 0.14 0.39 -0.25 3.54 0.01 -1.26 -0.07 113.70 116.20 1azd s SER 76 Ca -0.02 -0.86 -0.07 0.00 1.31 0.00 0.00 55.95 56.31 1azd s SER 76 Cb -0.04 0.20 0.12 0.00 0.21 0.00 0.00 66.02 66.51 1azd s SER 76 CO 0.02 -0.57 0.52 -0.47 0.41 0.00 0.00 173.24 173.16 1azd s TYR 77 N -3.48 -1.09 -0.19 2.43 5.04 0.13 -4.99 117.35 115.20 1azd s TYR 77 Ca 0.03 1.80 -0.29 0.00 -2.44 0.00 0.00 57.07 56.16 1azd s TYR 77 Cb 0.05 0.50 -0.03 0.00 0.35 0.00 0.00 41.96 42.83 1azd s TYR 77 CO -0.08 -0.62 1.52 -0.51 -1.34 0.00 0.00 175.55 174.52 1azd s ASP 78 N 2.74 6.58 -0.18 4.32 1.11 -1.26 -1.24 116.67 128.75 1azd s ASP 78 Ca 0.00 1.70 -0.17 0.00 0.18 0.00 0.00 52.55 54.26 1azd s ASP 78 Cb -0.13 -2.53 0.05 0.00 1.07 0.00 0.00 42.92 41.38 1azd s ASP 78 CO -0.16 -1.08 0.49 0.54 1.18 0.00 0.00 175.17 176.14 1azd s VAL 79 N 4.55 0.00 -0.50 -1.27 0.11 -0.03 -4.96 120.40 118.31 1azd s VAL 79 Ca 0.67 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.55 1azd s VAL 79 Cb -0.25 -0.68 0.09 0.00 -1.53 0.00 0.00 36.38 34.01 1azd s VAL 79 CO 0.26 -0.01 0.43 -0.62 -3.33 0.00 0.00 175.10 171.84 1azd s ASP 80 N 0.21 6.16 0.00 3.54 2.15 -1.26 -4.25 116.67 123.22 1azd s ASP 80 Ca -0.00 -1.48 0.20 0.00 0.43 0.00 0.00 52.55 51.69 1azd s ASP 80 Cb -0.03 -2.19 0.90 0.00 -0.30 0.00 0.00 42.92 41.29 1azd s ASP 80 CO 0.01 -0.72 1.65 0.18 -0.17 0.00 0.00 175.17 176.12 1azd n LEU 81 N 5.23 0.00 -0.23 -1.34 4.77 -1.26 -2.46 117.00 121.71 1azd n LEU 81 Ca -0.13 0.46 0.02 0.00 -0.03 0.00 0.00 56.01 56.33 1azd n LEU 81 Cb 0.42 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1azd n LEU 81 CO 0.50 -0.14 1.01 0.44 -1.33 0.00 0.00 177.39 177.86 1azd h ASP 82 N 0.00 0.28 -0.94 -1.43 3.32 -1.92 -2.31 116.42 113.41 1azd h ASP 82 Ca 0.00 0.09 -0.54 0.00 0.02 0.00 0.00 57.03 56.60 1azd h ASP 82 Cb 0.32 0.06 -0.29 0.00 0.22 0.00 0.00 39.33 39.64 1azd h ASP 82 CO 0.00 0.15 0.69 0.59 -1.72 0.00 0.00 179.24 178.94 1azd n ASN 83 N -4.98 4.95 0.11 6.45 3.02 -1.03 -4.43 115.26 119.36 1azd n ASN 83 Ca 0.11 -3.57 0.00 0.00 -0.03 0.00 0.00 54.58 51.08 1azd n ASN 83 Cb 0.32 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1azd n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1azd n VAL 84 N -0.96 0.39 -2.02 2.41 0.31 -0.92 -5.07 118.33 112.47 1azd n VAL 84 Ca 0.57 0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 64.73 1azd n VAL 84 Cb 1.30 -0.85 0.01 0.00 -0.91 0.00 0.00 33.84 33.38 1azd n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1azd s LEU 85 N -6.95 3.31 0.56 7.52 1.43 -0.92 -4.99 118.68 118.64 1azd s LEU 85 Ca 0.00 1.34 -0.16 0.00 -1.03 0.00 0.00 54.13 54.28 1azd s LEU 85 Cb 0.00 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 41.80 1azd s LEU 85 CO 0.00 -0.81 1.03 -2.16 0.23 0.00 0.00 176.35 174.64 1azd s PRO 86 N -5.07 3.56 0.48 1.29 0.04 -1.26 -4.85 135.00 129.19 1azd s PRO 86 Ca 0.54 1.09 0.31 0.00 0.04 0.00 0.00 61.00 62.98 1azd s PRO 86 Cb -0.11 -2.07 1.19 0.00 0.04 0.00 0.00 34.50 33.55 1azd s PRO 86 CO 0.52 -0.60 1.90 1.05 0.04 0.00 0.00 177.00 179.90 1azd h GLU 87 N 0.59 0.00 -5.43 4.56 4.11 -1.94 -3.38 114.58 113.10 1azd h GLU 87 Ca -0.47 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.31 1azd h GLU 87 Cb 1.21 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.21 1azd h GLU 87 CO 0.59 0.00 -0.74 -1.58 0.07 0.00 0.00 179.01 177.35 1azd s TRP 88 N -3.55 2.87 0.21 2.06 0.52 -1.26 -0.98 118.94 118.81 1azd s TRP 88 Ca 0.02 -0.48 -0.02 0.00 0.02 0.00 0.00 56.10 55.64 1azd s TRP 88 Cb 0.09 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 1azd s TRP 88 CO 0.53 -0.11 0.19 0.14 0.02 0.00 0.00 176.95 177.72 1azd s VAL 89 N 0.21 0.00 0.13 4.03 -7.23 0.01 -4.34 120.40 113.21 1azd s VAL 89 Ca -0.06 -1.91 0.09 0.00 -1.81 0.00 0.00 61.98 58.28 1azd s VAL 89 Cb -0.15 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1azd s VAL 89 CO 0.04 0.00 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.54 1azd s ARG 90 N -4.09 1.85 -0.04 4.82 0.52 0.10 -0.33 118.95 121.77 1azd s ARG 90 Ca 0.37 -1.20 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1azd s ARG 90 Cb 0.06 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 1azd s ARG 90 CO 0.12 0.47 -0.15 0.14 0.02 0.00 0.00 175.30 175.90 1azd s VAL 91 N -1.29 2.99 0.38 3.52 -7.23 -1.26 -1.76 120.40 115.74 1azd s VAL 91 Ca 0.20 -0.76 -0.16 0.00 -1.81 0.00 0.00 61.98 59.44 1azd s VAL 91 Cb -0.10 -2.16 0.05 0.00 0.56 0.00 0.00 36.38 34.73 1azd s VAL 91 CO 0.11 0.58 0.78 -0.83 -0.31 0.00 0.00 175.10 175.44 1azd s GLY 92 N -0.74 0.33 0.13 2.32 0.00 -0.59 -1.21 107.32 107.56 1azd s GLY 92 Ca 0.11 -0.71 0.11 0.00 0.00 0.00 0.00 44.72 44.23 1azd s GLY 92 CO 0.01 -0.29 -0.25 1.08 0.00 0.00 0.00 173.10 173.64 1azd s LEU 93 N -3.06 2.40 -0.00 0.66 1.43 0.00 -1.41 118.68 118.70 1azd s LEU 93 Ca 0.15 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1azd s LEU 93 Cb -0.05 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1azd s LEU 93 CO 0.11 0.18 0.24 -0.55 0.23 0.00 0.00 176.35 176.55 1azd s SER 94 N -2.10 -0.09 -0.08 2.29 0.15 0.28 -1.19 113.70 112.95 1azd s SER 94 Ca 0.15 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 1azd s SER 94 Cb -0.10 0.27 0.09 0.00 -1.71 0.00 0.00 66.02 64.57 1azd s SER 94 CO 0.07 -0.44 0.79 0.00 1.20 0.00 0.00 173.24 174.87 1azd s ALA 95 N -1.52 -1.82 0.06 5.45 0.00 -1.09 0.49 121.76 123.33 1azd s ALA 95 Ca -0.13 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 1azd s ALA 95 Cb -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1azd s ALA 95 CO 0.02 -0.37 0.24 -1.54 0.00 0.00 0.00 175.76 174.11 1azd s SER 96 N -1.26 -0.01 0.39 0.00 1.04 -1.20 -2.30 113.70 110.35 1azd s SER 96 Ca -0.07 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.05 1azd s SER 96 Cb -0.00 0.34 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 1azd s SER 96 CO 0.06 -0.65 0.02 0.42 0.98 0.00 0.00 173.24 174.06 1azd s THR 97 N -3.05 2.17 0.00 2.02 -4.23 -0.34 -1.13 115.64 111.07 1azd s THR 97 Ca -0.01 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1azd s THR 97 Cb 0.01 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1azd s THR 97 CO -0.07 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 1azd n GLY 98 N -0.98 4.28 0.10 3.99 0.00 -1.26 -1.70 105.19 109.63 1azd n GLY 98 Ca -0.04 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1azd n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1azd h LEU 99 N 0.00 0.22-10.35 0.99 6.46 -1.97 -0.84 115.31 109.82 1azd h LEU 99 Ca 0.00 -0.25 -0.44 0.00 -0.12 0.00 0.00 57.88 57.07 1azd h LEU 99 Cb 0.00 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1azd h LEU 99 CO 0.00 0.42 -0.27 -0.31 -0.62 0.00 0.00 178.44 177.66 1azd s TYR 100 N -5.20 3.08 0.21 1.25 2.02 -1.26 -4.91 117.35 112.54 1azd s TYR 100 Ca -0.14 -0.15 -0.12 0.00 -0.37 0.00 0.00 57.07 56.28 1azd s TYR 100 Cb 0.06 -2.15 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 1azd s TYR 100 CO 0.71 -0.18 0.42 -1.59 -1.57 0.00 0.00 175.55 173.34 1azd s LYS 101 N -4.30 1.39 0.03 -0.62 0.00 -1.26 -4.47 119.74 110.51 1azd s LYS 101 Ca 0.48 -1.15 -0.27 0.00 0.00 0.00 0.00 55.97 55.02 1azd s LYS 101 Cb -0.10 0.45 0.08 0.00 0.00 0.00 0.00 37.83 38.26 1azd s LYS 101 CO 0.33 -0.56 0.70 -1.83 0.00 0.00 0.00 175.35 173.99 1azd s GLU 102 N -3.97 1.08 0.47 1.78 -1.05 -1.24 -4.30 118.70 111.47 1azd s GLU 102 Ca 0.18 -0.11 -0.21 0.00 -0.15 0.00 0.00 54.97 54.68 1azd s GLU 102 Cb 0.01 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 34.11 1azd s GLU 102 CO 0.04 -0.41 1.04 0.95 0.95 0.00 0.00 175.26 177.83 1azd s THR 103 N -2.44 3.78 -0.48 1.83 -4.23 0.70 -4.77 115.64 110.03 1azd s THR 103 Ca -0.04 1.16 0.08 0.00 -1.18 0.00 0.00 61.69 61.72 1azd s THR 103 Cb -0.01 -3.50 0.33 0.00 1.34 0.00 0.00 72.50 70.67 1azd s THR 103 CO -0.02 -0.18 0.81 0.59 -0.54 0.00 0.00 174.62 175.27 1azd n ASN 104 N -0.76 2.51 -4.73 3.99 5.03 -1.26 -3.52 115.26 116.52 1azd n ASN 104 Ca 0.08 -3.30 -0.40 0.00 0.87 0.00 0.00 54.58 51.83 1azd n ASN 104 Cb 0.52 -0.60 -0.05 0.00 -1.02 0.00 0.00 39.78 38.63 1azd n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1azd s THR 105 N -3.21 4.80 -0.22 3.41 2.01 -1.01 -2.66 115.64 118.77 1azd s THR 105 Ca 0.43 1.70 -0.06 0.00 0.31 0.00 0.00 61.69 64.07 1azd s THR 105 Cb 0.30 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1azd s THR 105 CO -0.10 0.30 0.04 -0.63 -0.69 0.00 0.00 174.62 173.54 1azd s ILE 106 N 0.30 4.19 -0.11 1.82 -1.09 0.11 -0.69 121.20 125.73 1azd s ILE 106 Ca 0.41 -0.22 0.22 0.00 -2.23 0.00 0.00 60.65 58.83 1azd s ILE 106 Cb -0.20 -2.92 -0.20 0.00 -1.58 0.00 0.00 42.46 37.55 1azd s ILE 106 CO 0.23 0.39 0.70 0.18 -1.23 0.00 0.00 174.94 175.21 1azd n LEU 107 N 4.50 0.35 -3.54 2.97 4.32 0.95 -1.63 117.00 124.92 1azd n LEU 107 Ca -0.17 0.13 -0.07 0.00 -0.02 0.00 0.00 56.01 55.89 1azd n LEU 107 Cb 0.52 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.28 1azd n LEU 107 CO 0.32 -0.06 0.77 -0.94 -1.22 0.00 0.00 177.39 176.26 1azd s SER 108 N -4.89 -0.29 -0.28 -1.43 1.04 -1.23 -4.14 113.70 102.48 1azd s SER 108 Ca -0.05 -0.03 -0.18 0.00 0.48 0.00 0.00 55.95 56.17 1azd s SER 108 Cb 0.12 0.33 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1azd s SER 108 CO 0.86 -0.54 0.71 0.86 0.98 0.00 0.00 173.24 176.11 1azd s TRP 109 N -2.95 -0.98 0.03 5.02 -0.00 -0.35 -1.61 118.94 118.10 1azd s TRP 109 Ca 0.07 2.04 -0.10 0.00 -0.00 0.00 0.00 56.10 58.11 1azd s TRP 109 Cb -0.01 0.53 0.01 0.00 -0.00 0.00 0.00 33.47 34.00 1azd s TRP 109 CO -0.07 -0.48 0.21 -1.54 -0.00 0.00 0.00 176.95 175.07 1azd s SER 110 N 1.30 -0.01 -0.07 5.86 1.04 -0.01 -0.48 113.70 121.33 1azd s SER 110 Ca -0.07 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 1azd s SER 110 Cb -0.05 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1azd s SER 110 CO -0.14 -0.52 0.29 0.12 0.98 0.00 0.00 173.24 173.97 1azd s PHE 111 N -2.25 -0.25 -0.07 5.02 5.36 -0.86 -1.16 117.98 123.77 1azd s PHE 111 Ca -0.07 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.41 1azd s PHE 111 Cb -0.02 0.09 0.04 0.00 -0.34 0.00 0.00 43.02 42.79 1azd s PHE 111 CO -0.02 -0.25 0.14 0.99 -1.46 0.00 0.00 175.22 174.61 1azd s THR 112 N -0.50 -0.15 -0.05 0.12 2.01 -0.51 -2.44 115.64 114.12 1azd s THR 112 Ca -0.06 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.28 1azd s THR 112 Cb -0.04 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1azd s THR 112 CO 0.02 0.12 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.31 1azd s SER 113 N 1.77 2.53 -0.02 3.53 0.15 -0.02 -2.02 113.70 119.63 1azd s SER 113 Ca -0.02 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.24 1azd s SER 113 Cb -0.12 -0.66 -0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1azd s SER 113 CO -0.05 0.20 -0.11 -0.54 1.20 0.00 0.00 173.24 173.94 1azd s LYS 114 N -0.09 1.05 -0.38 5.44 1.02 -0.55 -1.10 119.74 125.12 1azd s LYS 114 Ca -0.02 -0.37 -0.04 0.00 0.02 0.00 0.00 55.97 55.56 1azd s LYS 114 Cb -0.12 -0.98 0.09 0.00 -0.52 0.00 0.00 37.83 36.30 1azd s LYS 114 CO 0.02 0.16 0.16 -0.51 -0.92 0.00 0.00 175.35 174.26 1azd s LEU 115 N 0.06 4.85 -0.13 3.17 1.43 0.89 -2.09 118.68 126.87 1azd s LEU 115 Ca -0.01 -1.69 -0.05 0.00 -1.03 0.00 0.00 54.13 51.35 1azd s LEU 115 Cb -0.08 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1azd s LEU 115 CO 0.00 -0.46 0.05 -0.54 0.23 0.00 0.00 176.35 175.63 1azd s LYS 116 N 1.24 3.42 0.00 1.70 1.02 0.13 -0.92 119.74 126.33 1azd s LYS 116 Ca 0.03 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1azd s LYS 116 Cb -0.22 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1azd s LYS 116 CO -0.02 0.56 0.00 0.43 -0.92 0.00 0.00 175.35 175.40 1azd n SER 117 N 2.61 0.00 0.00 2.83 7.64 -1.13 -1.55 113.62 124.03 1azd n SER 117 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1azd n SER 117 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1azd n SER 117 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1azd n ASN 118 N 0.00 0.00 -3.80 6.43 0.23 -1.26 -4.49 115.26 112.37 1azd n ASN 118 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 1azd n ASN 118 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1azd n ASN 118 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1azd n SER 119 N 0.00 0.32 -3.33 0.53 7.64 -1.26 0.10 113.62 117.62 1azd n SER 119 Ca 0.00 -0.93 -0.09 0.00 1.01 0.00 0.00 58.87 58.86 1azd n SER 119 Cb 0.00 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1azd n SER 119 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1azd n THR 120 N -3.51 -7.76 -4.11 0.44 -1.04 -1.26 -3.88 114.28 93.16 1azd n THR 120 Ca -0.18 -0.20 -0.38 0.00 -2.04 0.00 0.00 64.05 61.25 1azd n THR 120 Cb 0.47 -5.52 -0.02 0.00 -1.82 0.00 0.00 70.33 63.44 1azd n THR 120 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1azd n HIS 121 N -2.14 -1.42 -4.09 -1.42 1.44 0.11 -4.95 115.22 102.76 1azd n HIS 121 Ca -0.11 0.34 -0.28 0.00 -2.01 0.00 0.00 57.72 55.66 1azd n HIS 121 Cb 0.57 -2.95 -0.06 0.00 0.12 0.00 0.00 29.99 27.67 1azd n HIS 121 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1azd s GLU 122 N -7.20 2.81 0.15 -1.40 0.41 -0.82 -5.04 118.70 107.61 1azd s GLU 122 Ca 0.28 -0.82 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 1azd s GLU 122 Cb -0.15 -2.64 -0.04 0.00 -1.78 0.00 0.00 34.13 29.52 1azd s GLU 122 CO 0.96 0.52 0.04 0.99 -0.49 0.00 0.00 175.26 177.28 1azd s THR 123 N -1.56 0.32 0.03 3.63 2.01 -1.26 -2.82 115.64 115.99 1azd s THR 123 Ca 0.29 -1.94 0.08 0.00 0.31 0.00 0.00 61.69 60.43 1azd s THR 123 Cb -0.11 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1azd s THR 123 CO 0.22 -0.44 -0.23 0.20 -0.69 0.00 0.00 174.62 173.68 1azd s ASN 124 N -3.11 2.78 -0.03 3.53 -0.87 -0.10 -4.96 114.94 112.18 1azd s ASN 124 Ca 0.25 -0.52 -0.05 0.00 -1.57 0.00 0.00 52.86 50.97 1azd s ASN 124 Cb 0.07 -0.26 0.01 0.00 -0.02 0.00 0.00 41.25 41.05 1azd s ASN 124 CO 0.03 0.23 0.13 0.00 -2.57 0.00 0.00 177.10 174.92 1azd s ALA 125 N -0.73 -0.31 0.04 0.60 0.00 -1.26 -0.08 121.76 120.02 1azd s ALA 125 Ca 0.09 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.29 1azd s ALA 125 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1azd s ALA 125 CO 0.01 -0.12 -0.17 -1.17 0.00 0.00 0.00 175.76 174.31 1azd s LEU 126 N -0.47 2.18 -0.18 0.00 2.96 -0.26 -4.99 118.68 117.91 1azd s LEU 126 Ca -0.06 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 1azd s LEU 126 Cb -0.04 -0.78 0.06 0.00 0.50 0.00 0.00 46.19 45.93 1azd s LEU 126 CO 0.01 0.09 0.46 -2.28 -1.32 0.00 0.00 176.35 173.30 1azd s HIS 127 N -0.84 -0.63 0.05 5.38 5.65 -1.26 -0.84 115.29 122.79 1azd s HIS 127 Ca 0.04 1.37 0.01 0.00 0.25 0.00 0.00 55.06 56.74 1azd s HIS 127 Cb -0.08 0.29 -0.03 0.00 -1.18 0.00 0.00 32.58 31.57 1azd s HIS 127 CO 0.02 -0.34 -0.05 -0.59 -0.65 0.00 0.00 174.74 173.13 1azd s PHE 128 N 1.13 0.55 -0.21 3.88 -0.12 -1.02 -5.02 117.98 117.16 1azd s PHE 128 Ca -0.07 -0.68 -0.04 0.00 -0.05 0.00 0.00 56.93 56.09 1azd s PHE 128 Cb -0.07 -0.35 0.11 0.00 -0.63 0.00 0.00 43.02 42.08 1azd s PHE 128 CO -0.10 -0.18 0.30 1.41 -0.05 0.00 0.00 175.22 176.60 1azd s MET 129 N -2.33 0.26 -0.29 1.99 1.75 -1.26 -2.03 119.30 117.39 1azd s MET 129 Ca -0.05 0.48 -0.16 0.00 -1.25 0.00 0.00 55.69 54.71 1azd s MET 129 Cb -0.04 -0.63 -0.03 0.00 2.84 0.00 0.00 34.83 36.97 1azd s MET 129 CO -0.03 -0.57 0.40 -0.06 -0.65 0.00 0.00 175.02 174.12 1azd s PHE 130 N 2.45 3.24 -0.29 4.11 0.08 0.37 -4.93 117.98 123.00 1azd s PHE 130 Ca 0.08 0.36 0.11 0.00 0.12 0.00 0.00 56.93 57.60 1azd s PHE 130 Cb -0.15 -2.64 0.63 0.00 -0.57 0.00 0.00 43.02 40.30 1azd s PHE 130 CO -0.13 -0.29 1.65 0.09 -0.10 0.00 0.00 175.22 176.43 1azd n ASN 131 N 5.41 3.96 0.00 1.36 3.02 -1.26 -1.21 115.26 126.54 1azd n ASN 131 Ca -0.08 -3.34 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 1azd n ASN 131 Cb 0.50 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1azd n ASN 131 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1azd n GLN 132 N -0.56 0.00 -4.52 3.52 7.27 -1.26 -4.88 117.38 116.94 1azd n GLN 132 Ca 0.36 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 57.10 1azd n GLN 132 Cb 1.22 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.75 1azd n GLN 132 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1azd s PHE 133 N -0.83 2.97 0.69 3.69 0.40 -0.56 -5.00 117.98 119.33 1azd s PHE 133 Ca 0.00 -0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.96 1azd s PHE 133 Cb 0.00 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.66 1azd s PHE 133 CO 0.00 0.05 1.08 0.45 0.70 0.00 0.00 175.22 177.49 1azd s SER 134 N 0.01 5.61 0.40 1.36 0.15 -1.26 -4.09 113.70 115.89 1azd s SER 134 Ca -0.01 1.24 0.22 0.00 0.70 0.00 0.00 55.95 58.10 1azd s SER 134 Cb -0.14 -2.11 0.66 0.00 -1.71 0.00 0.00 66.02 62.72 1azd s SER 134 CO 0.03 -1.25 1.71 0.50 1.20 0.00 0.00 173.24 175.43 1azd h LYS 135 N -0.59 0.00 -2.95 5.44 3.64 -1.89 -3.19 116.57 117.03 1azd h LYS 135 Ca -0.45 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.32 1azd h LYS 135 Cb 1.23 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.64 1azd h LYS 135 CO 0.63 0.28 -0.65 0.34 -2.27 0.00 0.00 179.45 177.78 1azd s ASP 136 N -6.26 4.17 -0.90 4.20 2.15 -1.26 -4.73 116.67 114.04 1azd s ASP 136 Ca 0.02 -3.69 -0.16 0.00 0.43 0.00 0.00 52.55 49.15 1azd s ASP 136 Cb 0.09 -1.40 0.18 0.00 -0.30 0.00 0.00 42.92 41.49 1azd s ASP 136 CO 0.67 -0.10 0.97 -1.58 -0.17 0.00 0.00 175.17 174.95 1azd s GLN 137 N -1.14 3.65 0.14 4.34 2.00 -1.25 -4.88 119.66 122.51 1azd s GLN 137 Ca 0.26 -2.18 0.17 0.00 -2.00 0.00 0.00 55.36 51.62 1azd s GLN 137 Cb -0.03 -4.68 0.75 0.00 0.80 0.00 0.00 33.01 29.85 1azd s GLN 137 CO -0.17 -1.53 1.53 1.63 -0.50 0.00 0.00 175.29 176.26 1azd n LYS 138 N 5.16 0.09 -0.35 1.67 5.02 -1.26 -2.61 118.16 125.89 1azd n LYS 138 Ca 0.20 0.39 0.09 0.00 -2.02 0.00 0.00 58.31 56.97 1azd n LYS 138 Cb 0.48 -1.70 0.27 0.00 -0.02 0.00 0.00 35.03 34.06 1azd n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1azd n ASP 139 N -1.87 3.76 -4.50 4.39 5.68 -1.26 -4.89 116.55 117.85 1azd n ASP 139 Ca 0.02 -2.10 -0.33 0.00 -0.50 0.00 0.00 54.79 51.88 1azd n ASP 139 Cb 0.16 -0.43 -0.13 0.00 -1.14 0.00 0.00 41.12 39.59 1azd n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1azd s LEU 140 N -1.19 2.84 -0.40 -2.12 1.43 -1.07 -1.22 118.68 116.96 1azd s LEU 140 Ca 0.41 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.16 1azd s LEU 140 Cb 0.23 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.87 1azd s LEU 140 CO 0.26 0.34 0.57 -0.63 0.23 0.00 0.00 176.35 177.13 1azd s ILE 141 N -0.72 4.93 -0.11 -0.59 1.01 0.21 -4.88 121.20 121.06 1azd s ILE 141 Ca 0.11 0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 1azd s ILE 141 Cb -0.11 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1azd s ILE 141 CO 0.01 -0.41 0.36 -0.76 0.00 0.00 0.00 174.94 174.14 1azd s LEU 142 N 2.58 4.32 0.00 2.97 1.43 -1.26 -1.43 118.68 127.29 1azd s LEU 142 Ca 0.20 0.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 1azd s LEU 142 Cb -0.15 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1azd s LEU 142 CO 0.16 0.15 -0.16 -1.10 0.23 0.00 0.00 176.35 175.63 1azd s GLN 143 N 0.02 1.22 5.13 1.70 -0.21 0.37 -4.97 119.66 122.92 1azd s GLN 143 Ca 0.21 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1azd s GLN 143 Cb -0.14 -1.20 0.00 0.00 1.00 0.00 0.00 33.01 32.66 1azd s GLN 143 CO 0.08 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 1azd n GLY 144 N 2.51 0.94 0.44 3.09 0.00 -1.26 -0.26 105.19 110.64 1azd n GLY 144 Ca -0.15 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.26 1azd n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1azd n ASP 145 N 4.49 1.34 -4.70 1.61 8.00 -0.49 -4.92 116.55 121.87 1azd n ASP 145 Ca 0.00 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.53 1azd n ASP 145 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1azd n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1azd s ALA 146 N -1.90 3.80 0.16 2.24 0.00 -1.20 -4.48 121.76 120.38 1azd s ALA 146 Ca 0.35 1.44 0.04 0.00 0.00 0.00 0.00 51.96 53.79 1azd s ALA 146 Cb 0.19 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1azd s ALA 146 CO 0.29 -1.06 -0.08 0.95 0.00 0.00 0.00 175.76 175.87 1azd s THR 147 N 2.06 1.08 0.33 0.00 -4.23 -0.55 -4.73 115.64 109.59 1azd s THR 147 Ca 0.76 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1azd s THR 147 Cb -0.46 -1.93 -0.00 0.00 1.34 0.00 0.00 72.50 71.46 1azd s THR 147 CO 0.34 -0.68 0.02 0.35 -0.54 0.00 0.00 174.62 174.11 1azd n THR 148 N -0.22 0.00 0.00 3.99 -2.24 -1.26 -0.67 114.28 113.88 1azd n THR 148 Ca -0.09 -1.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 1azd n THR 148 Cb 0.61 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1azd n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1azd n GLY 149 N 0.78 2.96 3.45 3.38 0.00 -1.14 -4.81 105.19 109.81 1azd n GLY 149 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1azd n GLY 149 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1azd n THR 150 N -2.00 2.41 -1.69 2.61 -1.04 -1.17 -2.72 114.28 110.69 1azd n THR 150 Ca 0.00 -2.42 -0.08 0.00 -2.04 0.00 0.00 64.05 59.51 1azd n THR 150 Cb 0.00 -2.26 -0.02 0.00 -1.82 0.00 0.00 70.33 66.23 1azd n THR 150 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1azd n GLU 151 N 7.95 -0.56 -2.24 -2.82 1.02 -1.26 -3.01 120.64 119.72 1azd n GLU 151 Ca 0.47 0.56 -0.02 0.00 -0.02 0.00 0.00 57.16 58.16 1azd n GLU 151 Cb 0.45 -4.43 0.00 0.00 -0.02 0.00 0.00 31.44 27.44 1azd n GLU 151 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1azd n GLY 152 N -1.53 0.51 3.20 0.62 0.00 -1.10 -4.98 105.19 101.90 1azd n GLY 152 Ca -0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 1azd n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1azd s ASN 153 N -2.96 1.52 -0.37 1.61 0.01 -1.16 -1.50 114.94 112.08 1azd s ASN 153 Ca 0.02 -0.89 -0.12 0.00 -0.71 0.00 0.00 52.86 51.16 1azd s ASN 153 Cb -0.01 0.01 0.02 0.00 0.41 0.00 0.00 41.25 41.68 1azd s ASN 153 CO 0.02 -0.30 0.22 -0.22 -1.51 0.00 0.00 177.10 175.31 1azd s LEU 154 N -2.71 4.70 -0.81 0.60 2.96 -0.64 -2.86 118.68 119.92 1azd s LEU 154 Ca 0.09 -0.86 -0.17 0.00 -0.22 0.00 0.00 54.13 52.97 1azd s LEU 154 Cb -0.00 -2.06 0.15 0.00 0.50 0.00 0.00 46.19 44.78 1azd s LEU 154 CO -0.00 -0.36 0.91 -0.13 -1.32 0.00 0.00 176.35 175.44 1azd s ARG 155 N 1.60 3.46 0.31 1.98 1.81 0.16 -0.71 118.95 127.56 1azd s ARG 155 Ca 0.03 -1.87 0.01 0.00 -1.72 0.00 0.00 55.73 52.18 1azd s ARG 155 Cb -0.19 -4.59 0.51 0.00 -0.45 0.00 0.00 34.95 30.24 1azd s ARG 155 CO 0.08 -1.56 1.90 -0.07 -0.68 0.00 0.00 175.30 174.96 1azd h LEU 156 N 9.47 0.71 -9.29 2.53 3.38 -1.76 -1.45 115.31 118.89 1azd h LEU 156 Ca 0.03 -0.09 -0.60 0.00 0.09 0.00 0.00 57.88 57.31 1azd h LEU 156 Cb 1.05 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.47 1azd h LEU 156 CO 0.99 0.65 -0.72 0.42 0.09 0.00 0.00 178.44 179.87 1azd s THR 157 N -5.35 2.29 0.27 0.22 -4.23 -1.26 -2.86 115.64 104.72 1azd s THR 157 Ca -0.09 -2.29 -0.30 0.00 -1.18 0.00 0.00 61.69 57.83 1azd s THR 157 Cb 0.16 -2.45 -0.10 0.00 1.34 0.00 0.00 72.50 71.45 1azd s THR 157 CO 0.78 -0.31 1.41 -0.60 -0.54 0.00 0.00 174.62 175.36 1azd s ARG 158 N -3.57 4.28 -0.04 3.99 3.52 -1.26 -4.79 118.95 121.08 1azd s ARG 158 Ca 0.31 2.29 0.02 0.00 -0.13 0.00 0.00 55.73 58.22 1azd s ARG 158 Cb -0.01 -3.10 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1azd s ARG 158 CO 0.15 -0.37 -0.10 0.54 -0.81 0.00 0.00 175.30 174.71 1azd s VAL 159 N -0.27 0.86 1.15 7.11 0.11 -1.26 -1.73 120.40 126.37 1azd s VAL 159 Ca 0.57 -0.37 -0.18 0.00 -2.93 0.00 0.00 61.98 59.06 1azd s VAL 159 Cb -0.41 -0.78 0.26 0.00 -1.53 0.00 0.00 36.38 33.92 1azd s VAL 159 CO 0.46 0.27 1.15 -0.94 -3.33 0.00 0.00 175.10 172.71 1azd s SER 160 N 0.36 1.43 0.25 3.54 1.04 0.40 -4.87 113.70 115.85 1azd s SER 160 Ca -0.06 0.60 -0.04 0.00 0.48 0.00 0.00 55.95 56.93 1azd s SER 160 Cb -0.11 -0.84 0.40 0.00 0.10 0.00 0.00 66.02 65.57 1azd s SER 160 CO 0.01 -3.81 1.82 0.77 0.98 0.00 0.00 173.24 173.02 1azd h SER 161 N -2.37 0.75 0.77 7.02 4.64 -2.02 -1.19 113.55 121.15 1azd h SER 161 Ca -0.45 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1azd h SER 161 Cb 1.29 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1azd h SER 161 CO 0.37 0.44 -0.25 -0.46 -0.87 0.00 0.00 176.83 176.05 1azd n ASN 162 N -4.70 0.27 0.00 4.97 6.94 -1.26 -4.90 115.26 116.58 1azd n ASN 162 Ca 0.14 0.13 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 1azd n ASN 162 Cb 0.26 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1azd n ASN 162 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1azd n GLY 163 N 1.49 1.37 3.33 4.83 0.00 -0.45 -5.12 105.19 110.64 1azd n GLY 163 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1azd n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1azd s SER 164 N -2.00 3.49 0.34 1.61 0.01 -1.24 -4.92 113.70 110.99 1azd s SER 164 Ca 0.00 -0.40 -0.28 0.00 1.31 0.00 0.00 55.95 56.58 1azd s SER 164 Cb 0.00 -1.04 -0.10 0.00 0.21 0.00 0.00 66.02 65.09 1azd s SER 164 CO 0.00 0.25 1.27 -2.16 0.41 0.00 0.00 173.24 173.00 1azd s PRO 165 N -0.15 4.32 0.21 12.44 0.04 -1.26 -0.45 135.00 150.14 1azd s PRO 165 Ca -0.03 2.12 0.05 0.00 0.04 0.00 0.00 61.00 63.18 1azd s PRO 165 Cb -0.14 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 1azd s PRO 165 CO 0.04 -0.18 0.30 -0.65 0.04 0.00 0.00 177.00 176.55 1azd s GLN 166 N -1.85 3.33 0.83 4.56 -1.52 -0.70 -4.85 119.66 119.45 1azd s GLN 166 Ca 0.50 -0.77 -0.09 0.00 -1.95 0.00 0.00 55.36 53.05 1azd s GLN 166 Cb -0.38 -2.84 0.14 0.00 -0.22 0.00 0.00 33.01 29.71 1azd s GLN 166 CO 0.50 0.45 1.15 0.20 -0.25 0.00 0.00 175.29 177.34 1azd s GLY 167 N -3.72 1.74 -0.44 3.09 0.00 -1.26 -4.38 107.32 102.35 1azd s GLY 167 Ca 0.34 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 43.71 1azd s GLY 167 CO 0.28 -0.64 0.18 1.44 0.00 0.00 0.00 173.10 174.36 1azd n SER 168 N -3.28 -1.00 -4.64 1.64 7.64 -0.32 -4.82 113.62 108.83 1azd n SER 168 Ca 0.13 -0.44 -0.30 0.00 1.01 0.00 0.00 58.87 59.26 1azd n SER 168 Cb 0.60 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 63.18 1azd n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1azd s SER 169 N -4.27 4.75 -0.15 6.43 0.15 -1.07 -4.91 113.70 114.64 1azd s SER 169 Ca 0.13 -0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.47 1azd s SER 169 Cb -0.07 -1.05 0.07 0.00 -1.71 0.00 0.00 66.02 63.26 1azd s SER 169 CO 0.33 0.18 0.32 0.54 1.20 0.00 0.00 173.24 175.81 1azd s VAL 170 N -1.26 -0.38 0.13 4.45 0.11 -1.26 -1.20 120.40 120.99 1azd s VAL 170 Ca 0.23 0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.56 1azd s VAL 170 Cb -0.11 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1azd s VAL 170 CO 0.16 0.09 -0.13 -0.83 -3.33 0.00 0.00 175.10 171.06 1azd s GLY 171 N 2.20 1.08 0.03 6.54 0.00 -0.97 -1.40 107.32 114.81 1azd s GLY 171 Ca -0.02 -1.35 -0.06 0.00 0.00 0.00 0.00 44.72 43.29 1azd s GLY 171 CO -0.10 -1.43 0.11 0.50 0.00 0.00 0.00 173.10 172.18 1azd s ARG 172 N -2.98 0.56 -0.03 2.90 0.52 0.64 -2.67 118.95 117.89 1azd s ARG 172 Ca 0.11 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1azd s ARG 172 Cb -0.03 0.22 0.02 0.00 0.52 0.00 0.00 34.95 35.69 1azd s ARG 172 CO 0.03 -0.14 -0.03 0.00 0.02 0.00 0.00 175.30 175.18 1azd s ALA 173 N -2.27 0.49 0.01 2.13 0.00 -0.33 -0.48 121.76 121.30 1azd s ALA 173 Ca -0.08 0.03 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1azd s ALA 173 Cb -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1azd s ALA 173 CO -0.03 -0.02 -0.19 -0.51 0.00 0.00 0.00 175.76 175.01 1azd s LEU 174 N 0.85 2.10 0.35 0.00 1.02 -0.52 -0.82 118.68 121.66 1azd s LEU 174 Ca -0.10 -0.43 -0.28 0.00 0.02 0.00 0.00 54.13 53.35 1azd s LEU 174 Cb -0.13 -0.96 -0.10 0.00 0.02 0.00 0.00 46.19 45.02 1azd s LEU 174 CO -0.01 0.19 1.32 0.12 0.02 0.00 0.00 176.35 177.99 1azd s PHE 175 N -0.62 2.96 0.21 0.29 5.36 -0.35 -0.61 117.98 125.23 1azd s PHE 175 Ca 0.07 1.40 -0.10 0.00 -0.96 0.00 0.00 56.93 57.34 1azd s PHE 175 Cb -0.08 -3.70 0.18 0.00 -0.34 0.00 0.00 43.02 39.08 1azd s PHE 175 CO 0.00 -1.98 1.88 -0.92 -1.46 0.00 0.00 175.22 172.74 1azd h TYR 176 N 3.17 0.94 -3.63 10.12 5.03 -1.50 -3.43 116.97 127.67 1azd h TYR 176 Ca -0.49 0.02 -0.51 0.00 2.58 0.00 0.00 58.73 60.33 1azd h TYR 176 Cb 1.23 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.18 1azd h TYR 176 CO 0.55 0.58 0.36 0.00 -1.32 0.00 0.00 178.16 178.32 1azd s ALA 177 N -6.13 3.28 0.80 1.82 0.00 -1.26 -5.02 121.76 115.25 1azd s ALA 177 Ca -0.13 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 52.28 1azd s ALA 177 Cb 0.15 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1azd s ALA 177 CO 0.78 0.06 0.76 -2.30 0.00 0.00 0.00 175.76 175.06 1azd n PRO 178 N 2.31 0.17 -4.81 0.00 -0.02 -1.26 -4.79 135.00 126.59 1azd n PRO 178 Ca 0.01 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 1azd n PRO 178 Cb 0.48 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.73 1azd n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1azd s VAL 179 N -2.07 1.44 -0.99 -1.45 1.01 0.55 -4.97 120.40 113.92 1azd s VAL 179 Ca 0.67 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1azd s VAL 179 Cb -0.30 -1.27 0.15 0.00 0.00 0.00 0.00 36.38 34.96 1azd s VAL 179 CO 0.57 0.42 1.17 -2.28 0.00 0.00 0.00 175.10 174.98 1azd s HIS 180 N 0.43 3.29 0.13 5.22 2.46 -1.26 -0.81 115.29 124.76 1azd s HIS 180 Ca -0.13 -1.65 0.09 0.00 0.47 0.00 0.00 55.06 53.84 1azd s HIS 180 Cb -0.15 -4.24 -0.02 0.00 -0.13 0.00 0.00 32.58 28.04 1azd s HIS 180 CO 0.05 -1.41 1.39 -0.84 -2.47 0.00 0.00 174.74 171.46 1azd h ILE 181 N 5.41 1.54 -4.01 0.89 -0.00 -1.36 -3.46 117.51 116.53 1azd h ILE 181 Ca 0.19 -2.93 -0.16 0.00 -0.00 0.00 0.00 64.86 61.96 1azd h ILE 181 Cb 0.99 2.61 -0.20 0.00 -0.00 0.00 0.00 36.82 40.22 1azd h ILE 181 CO 1.11 0.82 -0.68 0.86 -0.00 0.00 0.00 178.15 180.26 1azd s TRP 182 N -2.98 0.30 -0.26 0.16 -0.00 -1.21 -4.67 118.94 110.27 1azd s TRP 182 Ca 0.01 -0.61 -0.24 0.00 -0.00 0.00 0.00 56.10 55.25 1azd s TRP 182 Cb 0.10 -0.22 0.07 0.00 -0.00 0.00 0.00 33.47 33.42 1azd s TRP 182 CO 0.79 -0.23 0.70 -2.00 -0.00 0.00 0.00 176.95 176.21 1azd s GLU 183 N -1.94 0.82 0.61 5.86 -6.30 -1.26 -4.71 118.70 111.78 1azd s GLU 183 Ca -0.11 0.97 0.39 0.00 -2.50 0.00 0.00 54.97 53.71 1azd s GLU 183 Cb -0.06 0.40 1.88 0.00 0.00 0.00 0.00 34.13 36.35 1azd s GLU 183 CO -0.03 -0.10 2.18 0.77 0.02 0.00 0.00 175.26 178.10 1azd h SER 184 N 5.02 0.00 0.80 -1.70 0.02 -2.02 -1.06 113.55 114.61 1azd h SER 184 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1azd h SER 184 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1azd h SER 184 CO 0.06 0.01 -1.03 -1.20 -1.14 0.00 0.00 176.83 173.54 1azd n SER 185 N -3.12 0.71 -4.67 3.07 7.64 -1.26 -4.90 113.62 111.10 1azd n SER 185 Ca -0.01 0.18 -0.43 0.00 1.01 0.00 0.00 58.87 59.61 1azd n SER 185 Cb 0.19 0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 1azd n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1azd n ALA 186 N -2.07 1.54 0.33 -0.43 0.00 -0.40 -4.79 120.51 114.69 1azd n ALA 186 Ca 0.01 0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.81 1azd n ALA 186 Cb 0.51 -2.63 0.18 0.00 0.00 0.00 0.00 19.45 17.52 1azd n ALA 186 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1azd h VAL 187 N 5.43 0.00 -2.10 0.00 -1.51 -1.60 -3.43 116.25 113.04 1azd h VAL 187 Ca -0.49 -0.82 -0.09 0.00 -1.23 0.00 0.00 66.70 64.07 1azd h VAL 187 Cb 1.24 1.66 -0.27 0.00 -2.13 0.00 0.00 31.29 31.79 1azd h VAL 187 CO 0.94 0.00 -0.39 0.54 -1.23 0.00 0.00 177.57 177.43 1azd s VAL 188 N -3.21 -0.68 0.08 7.19 0.11 -0.90 -4.75 120.40 118.24 1azd s VAL 188 Ca 0.06 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1azd s VAL 188 Cb 0.09 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1azd s VAL 188 CO 0.69 -0.02 0.18 0.00 -3.33 0.00 0.00 175.10 172.62 1azd s ALA 189 N 2.62 3.87 -0.09 1.54 0.00 -1.26 -0.69 121.76 127.75 1azd s ALA 189 Ca 0.06 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 1azd s ALA 189 Cb -0.14 -1.70 0.10 0.00 0.00 0.00 0.00 23.12 21.38 1azd s ALA 189 CO -0.15 0.77 0.87 -1.54 0.00 0.00 0.00 175.76 175.71 1azd s SER 190 N -2.57 -0.47 0.09 0.00 1.04 -0.89 -0.45 113.70 110.46 1azd s SER 190 Ca 0.33 0.43 -0.10 0.00 0.48 0.00 0.00 55.95 57.09 1azd s SER 190 Cb -0.12 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1azd s SER 190 CO 0.26 -0.49 0.23 0.72 0.98 0.00 0.00 173.24 174.94 1azd s PHE 191 N -1.51 0.08 -0.27 5.02 -0.12 -0.35 -1.49 117.98 119.35 1azd s PHE 191 Ca -0.04 -0.48 -0.25 0.00 -0.05 0.00 0.00 56.93 56.11 1azd s PHE 191 Cb -0.00 -0.00 0.07 0.00 -0.63 0.00 0.00 43.02 42.46 1azd s PHE 191 CO 0.02 -0.57 0.73 -1.83 -0.05 0.00 0.00 175.22 173.53 1azd s GLU 192 N -3.80 0.83 0.06 1.99 4.04 -0.86 -1.41 118.70 119.56 1azd s GLU 192 Ca 0.04 0.96 0.02 0.00 0.04 0.00 0.00 54.97 56.04 1azd s GLU 192 Cb 0.04 0.40 -0.03 0.00 0.02 0.00 0.00 34.13 34.57 1azd s GLU 192 CO -0.11 -0.10 -0.08 0.00 -1.84 0.00 0.00 175.26 173.13 1azd s ALA 193 N 0.33 0.70 -0.00 -0.84 0.00 -0.60 -1.43 121.76 119.92 1azd s ALA 193 Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1azd s ALA 193 Cb -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 1azd s ALA 193 CO 0.01 -0.06 0.03 0.99 0.00 0.00 0.00 175.76 176.73 1azd s THR 194 N -1.92 0.05 -0.06 0.00 2.01 -0.31 -0.60 115.64 114.81 1azd s THR 194 Ca -0.04 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 1azd s THR 194 Cb -0.06 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.28 1azd s THR 194 CO -0.01 -0.23 0.28 0.72 -0.69 0.00 0.00 174.62 174.69 1azd s PHE 195 N -0.69 -0.22 -0.18 4.92 -0.71 -1.05 -0.83 117.98 119.22 1azd s PHE 195 Ca -0.08 0.47 -0.07 0.00 -1.04 0.00 0.00 56.93 56.21 1azd s PHE 195 Cb -0.05 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1azd s PHE 195 CO -0.00 -0.26 0.06 0.95 -1.34 0.00 0.00 175.22 174.63 1azd s THR 196 N -0.59 4.73 0.12 -4.49 -4.23 -0.63 -2.14 115.64 108.40 1azd s THR 196 Ca -0.07 -0.05 0.10 0.00 -1.18 0.00 0.00 61.69 60.48 1azd s THR 196 Cb -0.04 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1azd s THR 196 CO 0.02 0.47 -0.24 0.72 -0.54 0.00 0.00 174.62 175.04 1azd s PHE 197 N 0.34 2.08 -0.24 3.99 -0.71 -0.65 -0.03 117.98 122.77 1azd s PHE 197 Ca 0.03 -0.40 0.00 0.00 -1.04 0.00 0.00 56.93 55.52 1azd s PHE 197 Cb -0.12 -1.13 0.06 0.00 -1.21 0.00 0.00 43.02 40.62 1azd s PHE 197 CO 0.00 0.28 -0.02 -1.17 -1.34 0.00 0.00 175.22 172.97 1azd s LEU 198 N -1.98 2.39 -0.20 -1.99 0.20 0.13 -0.96 118.68 116.27 1azd s LEU 198 Ca 0.11 -1.19 -0.11 0.00 0.69 0.00 0.00 54.13 53.63 1azd s LEU 198 Cb -0.10 -1.07 -0.05 0.00 -0.43 0.00 0.00 46.19 44.54 1azd s LEU 198 CO 0.05 -0.27 0.15 -0.63 -0.29 0.00 0.00 176.35 175.37 1azd s ILE 199 N 1.47 5.39 -0.02 6.68 1.01 -1.26 -2.40 121.20 132.08 1azd s ILE 199 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1azd s ILE 199 Cb -0.18 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1azd s ILE 199 CO -0.08 0.43 -0.05 -0.75 0.00 0.00 0.00 174.94 174.49 1azd s LYS 200 N 0.39 0.60 -0.03 2.79 2.20 -1.23 -0.85 119.74 123.61 1azd s LYS 200 Ca 0.09 -0.15 -0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1azd s LYS 200 Cb -0.11 -0.61 0.03 0.00 -1.51 0.00 0.00 37.83 35.63 1azd s LYS 200 CO -0.01 0.03 0.03 0.45 -0.36 0.00 0.00 175.35 175.49 1azd s SER 201 N 0.35 0.34 0.02 1.43 0.15 -1.26 -0.22 113.70 114.51 1azd s SER 201 Ca -0.04 0.03 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 1azd s SER 201 Cb -0.08 -0.11 -0.35 0.00 -1.71 0.00 0.00 66.02 63.77 1azd s SER 201 CO -0.00 -0.15 0.97 1.55 1.20 0.00 0.00 173.24 176.81 1azd h PRO 202 N 7.51 0.50 -1.47 5.44 0.13 -2.00 -3.35 132.00 138.76 1azd h PRO 202 Ca -0.39 -0.86 -0.01 0.00 -0.87 0.00 0.00 66.00 63.87 1azd h PRO 202 Cb 1.12 0.32 -0.01 0.00 0.13 0.00 0.00 31.00 32.57 1azd h PRO 202 CO 0.42 1.41 0.02 -0.40 -0.23 0.00 0.00 178.00 179.21 1azd n ASP 203 N -3.68 4.16 0.00 1.44 5.68 -1.26 -4.84 116.55 118.05 1azd n ASP 203 Ca -0.17 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 1azd n ASP 203 Cb 1.10 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1azd n ASP 203 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1azd n SER 204 N 0.94 0.00 -2.72 -1.12 7.64 -1.26 -4.66 113.62 112.44 1azd n SER 204 Ca 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.81 1azd n SER 204 Cb 0.51 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.81 1azd n SER 204 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1azd n HIS 205 N 0.00 -2.42 -0.75 1.43 -0.00 -1.26 -5.17 115.22 107.06 1azd n HIS 205 Ca 0.00 -1.84 -0.30 0.00 -0.00 0.00 0.00 57.72 55.58 1azd n HIS 205 Cb 0.00 1.55 0.18 0.00 -0.00 0.00 0.00 29.99 31.72 1azd n HIS 205 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1azd s PRO 206 N 0.24 0.63 -0.11 1.57 0.05 -1.26 -4.49 135.00 131.63 1azd s PRO 206 Ca 0.22 1.28 -0.30 0.00 0.05 0.00 0.00 61.00 62.25 1azd s PRO 206 Cb 0.29 -1.70 0.12 0.00 0.05 0.00 0.00 34.50 33.26 1azd s PRO 206 CO -0.09 -2.81 0.99 0.00 0.05 0.00 0.00 177.00 175.14 1azd s ALA 207 N -2.65 -1.91 -0.34 8.56 0.00 -1.26 -4.35 121.76 119.81 1azd s ALA 207 Ca 0.66 1.40 0.10 0.00 0.00 0.00 0.00 51.96 54.13 1azd s ALA 207 Cb -0.22 -0.28 -0.13 0.00 0.00 0.00 0.00 23.12 22.49 1azd s ALA 207 CO 0.59 -0.47 0.38 -0.25 0.00 0.00 0.00 175.76 176.01 1azd n ASP 208 N 0.31 1.13 0.00 0.00 8.00 -0.28 -3.60 116.55 122.11 1azd n ASP 208 Ca -0.08 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1azd n ASP 208 Cb 0.59 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 1azd n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1azd n GLY 209 N 1.45 -0.21 3.11 0.44 0.00 -1.25 -1.89 105.19 106.84 1azd n GLY 209 Ca 0.01 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 1azd n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1azd s ILE 210 N 0.00 0.17 -0.05 -0.61 1.01 -0.12 -3.26 121.20 118.33 1azd s ILE 210 Ca 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 60.65 59.18 1azd s ILE 210 Cb 0.00 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1azd s ILE 210 CO 0.00 -0.76 0.21 0.00 0.00 0.00 0.00 174.94 174.39 1azd s ALA 211 N -3.26 -0.53 -0.23 9.38 0.00 0.18 0.02 121.76 127.33 1azd s ALA 211 Ca 0.01 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 1azd s ALA 211 Cb 0.03 -0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1azd s ALA 211 CO -0.08 -0.16 0.14 0.12 0.00 0.00 0.00 175.76 175.78 1azd s PHE 212 N -0.52 3.29 0.02 0.00 5.36 -0.65 -0.56 117.98 124.93 1azd s PHE 212 Ca -0.06 0.16 0.04 0.00 -0.96 0.00 0.00 56.93 56.10 1azd s PHE 212 Cb -0.04 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 1azd s PHE 212 CO 0.01 0.05 -0.11 -0.59 -1.46 0.00 0.00 175.22 173.12 1azd s PHE 213 N 0.98 1.01 -0.17 10.12 -0.71 -0.50 -0.80 117.98 127.91 1azd s PHE 213 Ca 0.07 -0.29 -0.06 0.00 -1.04 0.00 0.00 56.93 55.61 1azd s PHE 213 Cb -0.13 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 41.02 1azd s PHE 213 CO 0.04 0.00 0.02 0.42 -1.34 0.00 0.00 175.22 174.35 1azd s ILE 214 N -0.65 4.35 0.29 -4.49 1.01 0.92 -1.54 121.20 121.10 1azd s ILE 214 Ca 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1azd s ILE 214 Cb -0.06 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1azd s ILE 214 CO 0.00 0.47 0.09 -0.94 0.00 0.00 0.00 174.94 174.57 1azd s SER 215 N 0.45 1.59 0.69 3.58 1.04 -0.72 -1.54 113.70 118.79 1azd s SER 215 Ca 0.00 -1.41 -0.17 0.00 0.48 0.00 0.00 55.95 54.85 1azd s SER 215 Cb -0.13 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.13 1azd s SER 215 CO 0.02 -0.72 1.25 0.54 0.98 0.00 0.00 173.24 175.30 1azd s ASN 216 N -3.38 4.41 0.57 7.02 4.22 -1.20 -0.72 114.94 125.87 1azd s ASN 216 Ca 0.37 2.49 0.26 0.00 -2.14 0.00 0.00 52.86 53.84 1azd s ASN 216 Cb 0.08 -2.60 1.65 0.00 1.28 0.00 0.00 41.25 41.65 1azd s ASN 216 CO 0.14 -2.13 2.21 0.16 -2.04 0.00 0.00 177.10 175.45 1azd h ILE 217 N 0.16 0.66 -0.88 0.54 3.07 -1.85 -2.78 117.51 116.42 1azd h ILE 217 Ca -0.49 0.00 -0.59 0.00 1.55 0.00 0.00 64.86 65.33 1azd h ILE 217 Cb 1.32 0.98 -0.31 0.00 -0.27 0.00 0.00 36.82 38.54 1azd h ILE 217 CO 0.51 0.00 0.38 -0.90 -1.05 0.00 0.00 178.15 177.09 1azd n ASP 218 N -4.05 6.17 -4.81 2.16 5.75 -1.26 -4.74 116.55 115.77 1azd n ASP 218 Ca -0.02 -3.76 -0.33 0.00 -0.01 0.00 0.00 54.79 50.66 1azd n ASP 218 Cb 0.11 -0.79 -0.04 0.00 -1.03 0.00 0.00 41.12 39.38 1azd n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1azd s SER 219 N -2.25 6.48 0.11 -1.12 0.15 -1.05 -5.07 113.70 110.96 1azd s SER 219 Ca 0.59 1.79 -0.19 0.00 0.70 0.00 0.00 55.95 58.85 1azd s SER 219 Cb 0.47 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.29 1azd s SER 219 CO 0.02 -0.68 0.46 -0.94 1.20 0.00 0.00 173.24 173.29 1azd s SER 220 N -2.30 -0.34 -0.06 5.45 1.04 -1.26 -5.12 113.70 111.11 1azd s SER 220 Ca 0.64 -0.15 -0.34 0.00 0.48 0.00 0.00 55.95 56.58 1azd s SER 220 Cb -0.13 0.50 -0.12 0.00 0.10 0.00 0.00 66.02 66.36 1azd s SER 220 CO 0.22 -0.84 1.85 -0.38 0.98 0.00 0.00 173.24 175.07 1azd n ILE 221 N -0.09 0.52 -2.05 -1.02 5.41 -1.26 -4.93 119.36 115.94 1azd n ILE 221 Ca -0.17 -0.09 -0.37 0.00 1.00 0.00 0.00 62.75 63.12 1azd n ILE 221 Cb 0.63 -1.84 0.02 0.00 -0.71 0.00 0.00 39.64 37.74 1azd n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1azd s PRO 222 N 3.72 3.41 0.07 0.38 0.02 -1.26 -4.92 135.00 136.42 1azd s PRO 222 Ca 0.91 1.95 -0.31 0.00 0.02 0.00 0.00 61.00 63.57 1azd s PRO 222 Cb -0.69 -2.27 -0.08 0.00 0.02 0.00 0.00 34.50 31.47 1azd s PRO 222 CO 0.50 -0.89 1.66 -1.12 -0.33 0.00 0.00 177.00 176.83 1azd s SER 223 N -1.26 6.59 -0.70 2.53 0.01 -1.26 -3.10 113.70 116.51 1azd s SER 223 Ca 0.69 2.51 -0.01 0.00 1.31 0.00 0.00 55.95 60.45 1azd s SER 223 Cb -0.33 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.32 1azd s SER 223 CO 0.39 -0.89 0.59 0.61 0.41 0.00 0.00 173.24 174.34 1azd n GLY 224 N 4.01 -0.13 0.79 3.44 0.00 -1.26 -4.89 105.19 107.14 1azd n GLY 224 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1azd n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1azd n SER 225 N -2.36 2.20 -4.49 1.61 3.41 -1.18 -4.91 113.62 107.90 1azd n SER 225 Ca -0.14 -3.72 -0.29 0.00 -0.26 0.00 0.00 58.87 54.46 1azd n SER 225 Cb 0.59 -0.56 0.16 0.00 -0.26 0.00 0.00 64.21 64.14 1azd n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1azd s THR 226 N -3.18 1.93 0.00 6.66 -4.23 -1.26 0.19 115.64 115.74 1azd s THR 226 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1azd s THR 226 Cb 0.37 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1azd s THR 226 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1azd n GLY 227 N -2.36 3.48 0.00 3.99 0.00 -0.69 -3.45 105.19 106.16 1azd n GLY 227 Ca 0.09 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1azd n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1azd n ARG 228 N 14.00 0.05 -0.22 1.61 -4.01 -1.26 -1.33 116.66 125.50 1azd n ARG 228 Ca 0.00 0.30 0.10 0.00 -1.04 0.00 0.00 57.85 57.21 1azd n ARG 228 Cb 0.00 -1.50 0.22 0.00 -3.04 0.00 0.00 32.46 28.14 1azd n ARG 228 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1azd n LEU 229 N -1.40 3.36 -1.08 2.89 4.77 -1.22 -4.97 117.00 119.34 1azd n LEU 229 Ca 0.03 -1.70 -0.13 0.00 -0.03 0.00 0.00 56.01 54.18 1azd n LEU 229 Cb 0.07 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1azd n LEU 229 CO 0.06 0.78 -0.12 0.18 -1.33 0.00 0.00 177.39 176.95 1azd n LEU 230 N 1.26 -0.69 -1.00 2.23 4.32 -0.44 -0.82 117.00 121.85 1azd n LEU 230 Ca 0.18 0.32 -0.13 0.00 -0.02 0.00 0.00 56.01 56.37 1azd n LEU 230 Cb 0.54 -2.51 -0.05 0.00 -1.62 0.00 0.00 43.42 39.78 1azd n LEU 230 CO 0.14 -0.95 -0.12 0.61 -1.22 0.00 0.00 177.39 175.84 1azd n GLY 231 N 0.02 1.20 0.75 -0.72 0.00 0.13 -4.16 105.19 102.41 1azd n GLY 231 Ca -0.13 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 1azd n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1azd n LEU 232 N -1.46 0.59 -4.46 0.99 4.32 -0.00 -4.54 117.00 112.44 1azd n LEU 232 Ca -0.13 0.10 -0.31 0.00 -0.02 0.00 0.00 56.01 55.66 1azd n LEU 232 Cb 0.43 -0.25 -0.13 0.00 -1.62 0.00 0.00 43.42 41.86 1azd n LEU 232 CO 0.19 0.15 -0.48 -0.36 -1.22 0.00 0.00 177.39 175.67 1azd s PHE 233 N -2.15 2.58 -0.57 -1.77 0.40 -1.17 -4.75 117.98 110.55 1azd s PHE 233 Ca -0.11 -0.24 0.25 0.00 -0.60 0.00 0.00 56.93 56.22 1azd s PHE 233 Cb 0.04 -1.49 0.57 0.00 0.51 0.00 0.00 43.02 42.66 1azd s PHE 233 CO 0.14 0.25 1.69 -1.00 0.70 0.00 0.00 175.22 177.00 1azd h PRO 234 N 4.62 0.00 0.00 0.24 0.13 -1.91 -3.43 132.00 131.65 1azd h PRO 234 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 1azd h PRO 234 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1azd h PRO 234 CO 0.48 0.00 -0.12 -0.40 -0.23 0.00 0.00 178.00 177.74 1azd n ASP 235 N -2.71 -0.78 -1.76 1.44 5.68 -1.26 -4.92 116.55 112.25 1azd n ASP 235 Ca 0.05 -2.18 -0.19 0.00 -0.50 0.00 0.00 54.79 51.97 1azd n ASP 235 Cb 0.48 1.48 0.08 0.00 -1.14 0.00 0.00 41.12 42.02 1azd n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1azd n ALA 236 N -1.60 4.95 1.20 2.12 0.00 -1.26 -4.78 120.51 121.15 1azd n ALA 236 Ca -0.08 -3.58 0.13 0.00 0.00 0.00 0.00 53.44 49.91 1azd n ALA 236 Cb 0.36 -0.62 0.27 0.00 0.00 0.00 0.00 19.45 19.46 1azd n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59