#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 6.89 -0.24 0.00 1.01 -1.26 -5.04 116.67 118.03 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 -0.40 0.52 -0.89 0.21 0.00 0.00 175.17 174.61 1azd s THR 3 N -1.81 5.08 -0.09 -1.27 2.01 -1.26 -5.04 115.64 113.27 1azd s THR 3 Ca 0.58 0.91 0.03 0.00 0.31 0.00 0.00 61.69 63.52 1azd s THR 3 Cb -0.18 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.51 1azd s THR 3 CO 0.22 0.12 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.45 1azd s ILE 4 N 2.07 1.67 -0.13 1.82 -1.09 -1.26 -3.15 121.20 121.12 1azd s ILE 4 Ca 0.22 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.87 1azd s ILE 4 Cb -0.16 -1.47 -0.01 0.00 -1.58 0.00 0.00 42.46 39.25 1azd s ILE 4 CO 0.09 0.47 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.42 1azd s VAL 5 N 0.54 2.74 0.04 2.92 1.01 -0.57 -0.54 120.40 126.53 1azd s VAL 5 Ca -0.16 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1azd s VAL 5 Cb -0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1azd s VAL 5 CO 0.06 0.53 0.10 0.00 0.00 0.00 0.00 175.10 175.79 1azd s ALA 6 N 0.47 -0.05 -0.19 5.51 0.00 -0.77 -0.13 121.76 126.59 1azd s ALA 6 Ca -0.11 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1azd s ALA 6 Cb -0.16 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 1azd s ALA 6 CO 0.05 -0.34 -0.11 0.08 0.00 0.00 0.00 175.76 175.44 1azd s VAL 7 N -2.83 2.89 -0.13 0.00 1.01 -0.01 -1.35 120.40 119.97 1azd s VAL 7 Ca -0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1azd s VAL 7 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1azd s VAL 7 CO -0.06 0.48 0.00 -1.83 0.00 0.00 0.00 175.10 173.70 1azd s GLU 8 N 1.17 3.46 -0.52 2.72 -1.05 -0.02 -1.61 118.70 122.85 1azd s GLU 8 Ca 0.02 -0.43 -0.16 0.00 -0.15 0.00 0.00 54.97 54.24 1azd s GLU 8 Cb -0.14 -2.93 0.10 0.00 -0.44 0.00 0.00 34.13 30.72 1azd s GLU 8 CO -0.04 0.44 0.50 -0.51 0.95 0.00 0.00 175.26 176.60 1azd s LEU 9 N -0.16 5.85 -0.33 1.83 1.02 0.13 -1.22 118.68 125.81 1azd s LEU 9 Ca 0.05 -1.55 -0.10 0.00 0.02 0.00 0.00 54.13 52.54 1azd s LEU 9 Cb -0.13 -2.23 -0.00 0.00 0.02 0.00 0.00 46.19 43.86 1azd s LEU 9 CO 0.02 -0.82 0.18 -0.62 0.02 0.00 0.00 176.35 175.12 1azd s ASP 10 N 3.23 5.65 0.00 2.29 -1.08 -0.06 -0.90 116.67 125.81 1azd s ASP 10 Ca 0.05 -0.61 0.23 0.00 -0.52 0.00 0.00 52.55 51.70 1azd s ASP 10 Cb -0.27 -2.03 0.57 0.00 -1.46 0.00 0.00 42.92 39.74 1azd s ASP 10 CO 0.05 -0.24 1.47 0.35 0.52 0.00 0.00 175.17 177.32 1azd n THR 11 N 5.00 0.24 -3.68 1.71 -2.24 -1.11 -2.02 114.28 112.19 1azd n THR 11 Ca -0.13 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 1azd n THR 11 Cb 0.49 0.82 -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 -1.76 -0.54 -0.68 4.78 6.14 -1.26 -4.62 117.35 119.41 1azd s TYR 12 Ca 0.34 1.14 -0.22 0.00 0.64 0.00 0.00 57.07 58.97 1azd s TYR 12 Cb 0.20 0.13 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 2.05 3.15 -1.19 4.97 0.04 -1.26 -4.95 135.00 137.81 1azd s PRO 13 Ca -0.04 -0.93 -0.17 0.00 0.04 0.00 0.00 61.00 59.90 1azd s PRO 13 Cb -0.11 -4.30 0.10 0.00 0.04 0.00 0.00 34.50 30.24 1azd s PRO 13 CO -0.10 -1.81 1.54 -0.80 0.04 0.00 0.00 177.00 175.87 1azd s ASN 14 N 3.69 6.84 0.47 6.66 -0.87 -1.26 -4.85 114.94 125.63 1azd s ASN 14 Ca 0.23 -2.43 0.18 0.00 -1.57 0.00 0.00 52.86 49.27 1azd s ASN 14 Cb -0.16 -2.51 1.15 0.00 -0.02 0.00 0.00 41.25 39.71 1azd s ASN 14 CO 0.08 -1.08 2.03 0.71 -2.57 0.00 0.00 177.10 176.27 1azd h THR 15 N 5.49 0.97 0.00 1.60 1.35 -1.89 -2.10 112.91 118.34 1azd h THR 15 Ca 0.34 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1azd h THR 15 Cb 0.91 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1azd h THR 15 CO 1.35 0.15 0.00 -0.90 -0.25 0.00 0.00 175.52 175.88 1azd n ASP 16 N -4.15 0.42 -0.53 5.36 5.75 -1.26 -1.71 116.55 120.44 1azd n ASP 16 Ca -0.02 0.64 0.07 0.00 -0.01 0.00 0.00 54.79 55.47 1azd n ASP 16 Cb 0.23 -0.72 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 -2.01 1.68 0.00 2.12 -5.35 -0.81 -4.98 119.36 110.01 1azd n ILE 17 Ca 0.01 -2.43 0.00 0.00 -0.27 0.00 0.00 62.75 60.06 1azd n ILE 17 Cb 0.12 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 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 1.08 3.73 3.28 0.00 -0.69 -4.60 105.19 107.04 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 7.38 0.37 1.61 1.11 -1.11 -4.84 116.67 119.19 1azd s ASP 19 Ca 0.00 1.87 -0.25 0.00 0.18 0.00 0.00 52.55 54.34 1azd s ASP 19 Cb 0.00 -2.59 -0.12 0.00 1.07 0.00 0.00 42.92 41.28 1azd s ASP 19 CO 0.00 -0.17 0.88 -0.81 1.18 0.00 0.00 175.17 176.25 1azd n PRO 20 N 2.97 1.12 -0.42 8.23 -0.04 -1.26 -4.30 135.00 141.30 1azd n PRO 20 Ca 0.04 0.40 -0.01 0.00 -0.04 0.00 0.00 63.50 63.88 1azd n PRO 20 Cb 0.48 -1.81 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.97 3.93 -3.58 3.54 3.41 -1.26 -4.68 113.62 115.95 1azd n SER 21 Ca 0.10 -2.06 -0.12 0.00 -0.26 0.00 0.00 58.87 56.53 1azd n SER 21 Cb 0.36 -0.86 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 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 0.66 -0.35 0.00 7.33 -0.85 -1.26 -4.96 117.35 117.92 1azd s TYR 22 Ca 0.06 0.20 -0.40 0.00 -0.52 0.00 0.00 57.07 56.41 1azd s TYR 22 Cb 0.03 0.34 -0.20 0.00 0.38 0.00 0.00 41.96 42.51 1azd s TYR 22 CO 0.00 -0.70 1.08 -2.30 -1.52 0.00 0.00 175.55 172.11 1azd n PRO 23 N 0.02 0.04 -3.71 -3.49 -0.02 -1.26 -4.65 135.00 121.92 1azd n PRO 23 Ca -0.17 0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.20 1azd n PRO 23 Cb 0.62 -1.52 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 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 0.03 -0.20 0.14 6.00 -3.43 -0.86 0.62 115.29 117.60 1azd s HIS 24 Ca 0.91 0.16 -0.02 0.00 -0.80 0.00 0.00 55.06 55.30 1azd s HIS 24 Cb -1.26 0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 29.99 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 -2.25 5.23 0.15 -5.38 -4.36 -0.53 -0.88 121.20 113.18 1azd s ILE 25 Ca -0.07 -0.21 -0.13 0.00 -0.26 0.00 0.00 60.65 59.98 1azd s ILE 25 Cb -0.02 -3.66 0.01 0.00 1.25 0.00 0.00 42.46 40.04 1azd s ILE 25 CO -0.01 -0.01 0.36 -0.83 0.24 0.00 0.00 174.94 174.69 1azd s GLY 26 N -2.71 0.07 -0.23 6.27 0.00 -0.35 -1.07 107.32 109.29 1azd s GLY 26 Ca 0.39 -0.45 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 1azd s GLY 26 CO 0.27 -0.54 -0.04 -0.42 0.00 0.00 0.00 173.10 172.36 1azd s ILE 27 N -3.88 3.26 -0.16 0.90 1.01 -0.27 -0.84 121.20 121.21 1azd s ILE 27 Ca 0.09 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1azd s ILE 27 Cb 0.02 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1azd s ILE 27 CO -0.06 0.35 0.04 -1.81 0.00 0.00 0.00 174.94 173.46 1azd s ASP 28 N 1.44 5.47 -0.44 3.58 1.01 -0.46 0.03 116.67 127.30 1azd s ASP 28 Ca 0.04 0.07 0.04 0.00 0.71 0.00 0.00 52.55 53.41 1azd s ASP 28 Cb -0.15 -1.89 0.12 0.00 1.01 0.00 0.00 42.92 42.01 1azd s ASP 28 CO -0.03 0.21 0.18 -0.63 0.21 0.00 0.00 175.17 175.11 1azd s ILE 29 N 0.17 2.27 0.00 0.77 -1.09 -1.26 -1.84 121.20 120.22 1azd s ILE 29 Ca 0.03 -2.84 0.00 0.00 -2.23 0.00 0.00 60.65 55.61 1azd s ILE 29 Cb -0.13 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.14 1azd s ILE 29 CO 0.01 -0.74 0.00 0.29 -1.23 0.00 0.00 174.94 173.27 1azd n LYS 30 N 3.59 0.00 -4.13 2.79 5.02 0.30 -4.93 118.16 120.80 1azd n LYS 30 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 1azd n LYS 30 Cb 0.36 -2.61 -0.11 0.00 -0.02 0.00 0.00 35.03 32.64 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 -3.11 1.25 0.47 4.39 0.15 -1.26 -4.86 113.70 110.73 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 -0.22 1.75 1.62 1.20 0.00 0.00 173.24 177.59 1azd h VAL 32 N 4.02 0.05 -1.69 4.45 3.04 -1.86 -3.40 116.25 120.87 1azd h VAL 32 Ca -0.37 -0.88 -0.52 0.00 -1.01 0.00 0.00 66.70 63.92 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 0.03 1.20 -0.13 -1.01 0.00 0.00 177.57 178.12 1azd s ARG 33 N -3.38 3.12 0.44 4.17 0.52 -1.26 -4.95 118.95 117.61 1azd s ARG 33 Ca 0.05 -0.36 -0.23 0.00 -0.52 0.00 0.00 55.73 54.66 1azd s ARG 33 Cb 0.07 -4.69 -0.10 0.00 0.52 0.00 0.00 34.95 30.74 1azd s ARG 33 CO 0.63 -2.44 0.93 0.43 0.02 0.00 0.00 175.30 174.86 1azd n SER 34 N 10.46 0.85 0.24 0.23 7.64 -1.26 -4.84 113.62 126.94 1azd n SER 34 Ca 0.20 0.99 0.13 0.00 1.01 0.00 0.00 58.87 61.21 1azd n SER 34 Cb 0.50 -1.31 0.50 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.32 0.00 -1.61 1.43 1.79 -0.73 -3.46 116.57 115.30 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 1.35 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.74 1azd h LYS 35 CO 0.55 0.10 0.45 0.21 -1.08 0.00 0.00 179.45 179.68 1azd s LYS 36 N -3.57 0.53 0.27 3.15 2.47 -1.24 -5.00 119.74 116.35 1azd s LYS 36 Ca 0.02 0.57 0.06 0.00 -1.56 0.00 0.00 55.97 55.06 1azd s LYS 36 Cb 0.09 0.26 -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 2.10 0.00 -3.59 3.43 -2.24 -1.26 -1.12 114.28 111.60 1azd n THR 37 Ca -0.12 -1.93 -0.15 0.00 -2.27 0.00 0.00 64.05 59.58 1azd n THR 37 Cb 0.56 0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 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 -3.05 -1.79 0.35 6.98 0.00 -0.24 -4.97 121.76 119.05 1azd s ALA 38 Ca 0.30 1.75 -0.28 0.00 0.00 0.00 0.00 51.96 53.72 1azd s ALA 38 Cb 0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 23.12 22.29 1azd s ALA 38 CO 0.21 -0.35 1.36 0.21 0.00 0.00 0.00 175.76 177.20 1azd s LYS 39 N -0.25 4.23 -0.09 0.00 2.20 -1.26 -1.45 119.74 123.12 1azd s LYS 39 Ca -0.04 2.32 -0.00 0.00 -0.36 0.00 0.00 55.97 57.89 1azd s LYS 39 Cb -0.03 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 1azd s LYS 39 CO 0.04 -0.33 -0.05 -0.46 -0.36 0.00 0.00 175.35 174.18 1azd s TRP 40 N -1.15 1.14 -1.19 4.03 -0.00 0.20 -4.74 118.94 117.23 1azd s TRP 40 Ca 0.51 -0.48 -0.16 0.00 -0.00 0.00 0.00 56.10 55.97 1azd s TRP 40 Cb -0.42 -1.01 0.12 0.00 -0.00 0.00 0.00 33.47 32.16 1azd s TRP 40 CO 0.56 -0.39 1.51 -0.80 -0.00 0.00 0.00 176.95 177.82 1azd s ASN 41 N 1.59 6.90 -0.04 5.86 0.02 -1.26 -4.39 114.94 123.62 1azd s ASN 41 Ca 0.01 -2.59 -0.34 0.00 -1.02 0.00 0.00 52.86 48.92 1azd s ASN 41 Cb -0.13 -2.47 -0.12 0.00 0.02 0.00 0.00 41.25 38.54 1azd s ASN 41 CO -0.05 -0.98 1.81 0.80 0.02 0.00 0.00 177.10 178.69 1azd n MET 42 N 6.93 2.12 -3.51 -0.60 0.00 -1.26 -4.93 117.12 115.87 1azd n MET 42 Ca 0.39 0.77 -0.41 0.00 -0.00 0.00 0.00 57.70 58.46 1azd n MET 42 Cb 0.45 -2.60 -0.04 0.00 0.00 0.00 0.00 33.22 31.03 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 3.35 3.48 -0.16 2.12 -0.21 -1.26 -5.05 119.66 121.93 1azd s GLN 43 Ca 0.90 -2.99 -0.38 0.00 0.02 0.00 0.00 55.36 52.91 1azd s GLN 43 Cb -0.71 -4.17 -0.15 0.00 1.00 0.00 0.00 33.01 28.98 1azd s GLN 43 CO 0.49 -1.25 1.70 -1.71 -2.12 0.00 0.00 175.29 172.41 1azd n ASN 44 N 2.93 2.53 0.00 5.90 5.15 -1.26 -1.41 115.26 129.10 1azd n ASN 44 Ca 0.18 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.22 1azd n ASN 44 Cb 0.40 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 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 3.93 2.34 3.90 8.20 0.00 -0.01 -4.99 105.19 118.57 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 -0.97 3.54 -0.21 1.61 -0.14 -0.50 -4.95 119.74 118.12 1azd s LYS 46 Ca 0.00 -0.22 -0.25 0.00 -1.36 0.00 0.00 55.97 54.14 1azd s LYS 46 Cb 0.00 -2.97 -0.01 0.00 -1.68 0.00 0.00 37.83 33.17 1azd s LYS 46 CO 0.00 0.56 0.84 0.08 -0.76 0.00 0.00 175.35 176.07 1azd s VAL 47 N -1.52 4.84 0.52 3.17 1.01 -1.26 -4.37 120.40 122.79 1azd s VAL 47 Ca 0.36 1.63 0.07 0.00 0.00 0.00 0.00 61.98 64.03 1azd s VAL 47 Cb -0.13 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1azd s VAL 47 CO 0.24 -0.04 0.47 -0.83 0.00 0.00 0.00 175.10 174.94 1azd s GLY 48 N 1.25 2.19 -0.06 4.51 0.00 -0.17 -4.18 107.32 110.86 1azd s GLY 48 Ca 0.37 -1.59 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 1azd s GLY 48 CO 0.09 -1.83 0.12 -1.59 0.00 0.00 0.00 173.10 169.89 1azd s THR 49 N -2.68 -0.09 -0.11 0.90 2.01 -0.36 -1.67 115.64 113.63 1azd s THR 49 Ca 0.43 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.69 1azd s THR 49 Cb -0.03 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 1azd s THR 49 CO 0.26 0.10 -0.22 0.00 -0.69 0.00 0.00 174.62 174.07 1azd s ALA 50 N 1.42 2.25 -0.18 7.40 0.00 -0.91 -1.13 121.76 130.61 1azd s ALA 50 Ca -0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1azd s ALA 50 Cb -0.12 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 1azd s ALA 50 CO -0.05 0.22 -0.10 -1.01 0.00 0.00 0.00 175.76 174.81 1azd s HIS 51 N 0.44 2.87 -0.06 0.00 3.76 -0.22 -2.56 115.29 119.51 1azd s HIS 51 Ca -0.15 -0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 53.83 1azd s HIS 51 Cb -0.17 -1.97 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 1azd s HIS 51 CO 0.06 -0.44 -0.01 0.42 -0.85 0.00 0.00 174.74 173.92 1azd s ILE 52 N 0.97 4.20 0.00 0.60 1.09 0.13 -1.46 121.20 126.73 1azd s ILE 52 Ca -0.01 -0.35 -0.01 0.00 -1.10 0.00 0.00 60.65 59.17 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 -0.01 0.55 0.02 -0.63 -0.10 0.00 0.00 174.94 174.77 1azd s ILE 53 N -0.92 0.06 -0.12 2.92 1.01 -0.29 -1.60 121.20 122.25 1azd s ILE 53 Ca 0.15 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 1azd s ILE 53 Cb -0.11 -0.18 0.06 0.00 0.01 0.00 0.00 42.46 42.24 1azd s ILE 53 CO 0.04 -0.25 0.64 -0.47 0.00 0.00 0.00 174.94 174.89 1azd s TYR 54 N -0.75 -0.63 -0.12 3.97 5.04 -0.55 -1.70 117.35 122.59 1azd s TYR 54 Ca -0.08 1.28 -0.20 0.00 -2.44 0.00 0.00 57.07 55.63 1azd s TYR 54 Cb -0.05 0.32 0.05 0.00 0.35 0.00 0.00 41.96 42.63 1azd s TYR 54 CO -0.00 -0.49 0.50 0.54 -1.34 0.00 0.00 175.55 174.75 1azd s ASN 55 N -0.64 -0.48 0.00 4.32 2.20 -1.26 -1.22 114.94 117.85 1azd s ASN 55 Ca -0.07 0.75 0.30 0.00 -0.94 0.00 0.00 52.86 52.90 1azd s ASN 55 Cb -0.02 0.78 1.46 0.00 -2.00 0.00 0.00 41.25 41.47 1azd s ASN 55 CO 0.06 -0.33 2.02 -1.54 -2.94 0.00 0.00 177.10 174.38 1azd n SER 56 N 2.08 0.00 -0.06 3.54 3.41 0.51 -1.46 113.62 121.63 1azd n SER 56 Ca -0.16 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.29 1azd n SER 56 Cb 0.56 -0.32 -0.12 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.00 1.62 0.00 -3.33 2.07 -1.85 -3.35 116.25 111.41 1azd h VAL 57 Ca 0.00 -2.15 -0.16 0.00 0.82 0.00 0.00 66.70 65.21 1azd h VAL 57 Cb 0.32 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1azd h VAL 57 CO 0.00 0.54 -0.75 1.23 0.02 0.00 0.00 177.57 178.61 1azd h GLY 58 N -0.97 0.00 -6.18 2.17 0.00 -1.95 -3.47 103.07 92.67 1azd h GLY 58 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 1azd h GLY 58 CO 0.00 0.00 -0.82 0.28 0.00 0.00 0.00 176.54 176.00 1azd n LYS 59 N -3.62 -4.82 -3.70 4.80 5.02 -0.54 -4.94 118.16 110.36 1azd n LYS 59 Ca -0.01 0.59 -0.26 0.00 -2.02 0.00 0.00 58.31 56.61 1azd n LYS 59 Cb 0.73 -5.15 -0.17 0.00 -0.02 0.00 0.00 35.03 30.42 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 -6.16 0.40 -0.13 1.97 3.52 -1.26 -0.79 118.95 116.50 1azd s ARG 60 Ca 0.12 -0.18 -0.25 0.00 -0.13 0.00 0.00 55.73 55.29 1azd s ARG 60 Cb -0.06 -1.74 -0.02 0.00 -1.56 0.00 0.00 34.95 31.56 1azd s ARG 60 CO 0.82 -0.58 0.81 -1.17 -0.81 0.00 0.00 175.30 174.37 1azd s LEU 61 N 1.99 4.22 0.13 -0.88 2.96 -0.28 -4.52 118.68 122.29 1azd s LEU 61 Ca 0.01 1.21 0.06 0.00 -0.22 0.00 0.00 54.13 55.19 1azd s LEU 61 Cb -0.16 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 1azd s LEU 61 CO -0.08 -0.32 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.05 1azd s SER 62 N 1.07 2.02 -0.01 3.68 0.01 -0.69 -0.59 113.70 119.19 1azd s SER 62 Ca 0.39 -0.82 -0.07 0.00 1.31 0.00 0.00 55.95 56.76 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 -0.15 0.14 0.00 0.41 0.00 0.00 173.24 173.79 1azd s ALA 63 N -2.19 -0.32 -0.02 1.44 0.00 0.10 -1.14 121.76 119.63 1azd s ALA 63 Ca 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1azd s ALA 63 Cb -0.05 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1azd s ALA 63 CO 0.03 -0.19 -0.04 0.08 0.00 0.00 0.00 175.76 175.64 1azd s VAL 64 N -1.16 0.38 -0.14 0.00 1.01 -0.54 -1.32 120.40 118.64 1azd s VAL 64 Ca -0.12 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1azd s VAL 64 Cb -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1azd s VAL 64 CO 0.01 0.14 -0.19 -0.69 0.00 0.00 0.00 175.10 174.37 1azd s VAL 65 N 0.27 2.39 0.03 2.92 1.01 -0.40 -1.06 120.40 125.55 1azd s VAL 65 Ca -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1azd s VAL 65 Cb -0.06 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 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 0.68 1.08 0.08 3.32 1.04 -0.29 -1.07 113.70 118.53 1azd s SER 66 Ca -0.09 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.01 1azd s SER 66 Cb -0.16 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1azd s SER 66 CO 0.02 -0.04 -0.04 -0.31 0.98 0.00 0.00 173.24 173.84 1azd s TYR 67 N -0.83 2.90 0.10 5.02 2.02 -0.38 -1.23 117.35 124.95 1azd s TYR 67 Ca -0.02 -0.07 -0.32 0.00 -0.37 0.00 0.00 57.07 56.29 1azd s TYR 67 Cb -0.07 -1.52 -0.11 0.00 -0.40 0.00 0.00 41.96 39.86 1azd s TYR 67 CO 0.01 0.45 1.84 -0.35 -1.57 0.00 0.00 175.55 175.92 1azd n PRO 68 N 0.77 2.70 -2.52 -1.71 -0.04 -1.26 -3.32 135.00 129.62 1azd n PRO 68 Ca -0.12 0.98 -0.03 0.00 -0.04 0.00 0.00 63.50 64.29 1azd n PRO 68 Cb 0.52 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 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 5.75 -6.78 0.00 3.54 3.02 -1.26 -4.85 115.26 114.68 1azd n ASN 69 Ca 0.19 0.77 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 1azd n ASN 69 Cb 0.36 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 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 0.08 0.97 3.77 7.41 0.00 -1.21 -5.10 105.19 111.12 1azd n GLY 70 Ca 0.05 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 6.66 -0.04 1.61 1.11 -1.26 -4.72 116.67 116.02 1azd s ASP 71 Ca 0.00 2.76 0.01 0.00 0.18 0.00 0.00 52.55 55.50 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 0.00 175.17 174.74 1azd s SER 72 N -0.25 0.91 0.15 0.27 1.04 -1.26 -1.25 113.70 113.30 1azd s SER 72 Ca 0.52 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.85 1azd s SER 72 Cb -0.42 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.25 1azd s SER 72 CO 0.53 -0.07 0.30 0.00 0.98 0.00 0.00 173.24 174.99 1azd s ALA 73 N 0.99 3.94 -0.02 5.32 0.00 -0.24 -4.98 121.76 126.77 1azd s ALA 73 Ca -0.10 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 1azd s ALA 73 Cb -0.14 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.15 1azd s ALA 73 CO -0.01 0.57 0.37 -0.08 0.00 0.00 0.00 175.76 176.61 1azd s THR 74 N -1.73 0.05 -0.24 0.00 -1.32 -1.26 -1.28 115.64 109.86 1azd s THR 74 Ca 0.36 -0.39 -0.25 0.00 -1.21 0.00 0.00 61.69 60.20 1azd s THR 74 Cb -0.11 -0.67 0.07 0.00 -1.51 0.00 0.00 72.50 70.27 1azd s THR 74 CO 0.28 -0.21 0.68 0.54 -2.21 0.00 0.00 174.62 173.70 1azd s VAL 75 N -1.27 0.00 0.05 5.08 0.11 -0.44 -4.75 120.40 119.19 1azd s VAL 75 Ca -0.13 -0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1azd s VAL 75 Cb -0.04 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1azd s VAL 75 CO 0.05 -0.00 0.01 -0.44 -3.33 0.00 0.00 175.10 171.39 1azd s SER 76 N 0.19 0.39 -0.26 3.54 0.01 -1.26 0.01 113.70 116.32 1azd s SER 76 Ca -0.01 -0.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.30 1azd s SER 76 Cb -0.04 0.21 0.12 0.00 0.21 0.00 0.00 66.02 66.52 1azd s SER 76 CO 0.02 -0.58 0.55 -0.47 0.41 0.00 0.00 173.24 173.17 1azd s TYR 77 N -3.57 -1.14 -0.20 2.43 5.04 0.24 -4.98 117.35 115.16 1azd s TYR 77 Ca 0.04 1.92 -0.29 0.00 -2.44 0.00 0.00 57.07 56.30 1azd s TYR 77 Cb 0.05 0.57 -0.02 0.00 0.35 0.00 0.00 41.96 42.91 1azd s TYR 77 CO -0.09 -0.62 1.46 -0.51 -1.34 0.00 0.00 175.55 174.45 1azd s ASP 78 N 2.78 6.63 -0.17 4.32 1.11 -1.26 -1.13 116.67 128.95 1azd s ASP 78 Ca -0.02 1.64 -0.17 0.00 0.18 0.00 0.00 52.55 54.18 1azd s ASP 78 Cb -0.12 -2.54 0.05 0.00 1.07 0.00 0.00 42.92 41.38 1azd s ASP 78 CO -0.17 -1.04 0.48 0.54 1.18 0.00 0.00 175.17 176.17 1azd s VAL 79 N 4.40 0.00 -0.50 -1.27 0.11 0.03 -4.96 120.40 118.22 1azd s VAL 79 Ca 0.64 -0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 59.51 1azd s VAL 79 Cb -0.23 -0.69 0.10 0.00 -1.53 0.00 0.00 36.38 34.02 1azd s VAL 79 CO 0.24 -0.01 0.44 -0.62 -3.33 0.00 0.00 175.10 171.81 1azd s ASP 80 N 0.13 6.16 0.00 3.54 2.15 -1.26 -4.24 116.67 123.15 1azd s ASP 80 Ca -0.01 -1.51 0.21 0.00 0.43 0.00 0.00 52.55 51.68 1azd s ASP 80 Cb -0.03 -2.19 0.96 0.00 -0.30 0.00 0.00 42.92 41.36 1azd s ASP 80 CO 0.01 -0.73 1.69 0.18 -0.17 0.00 0.00 175.17 176.15 1azd n LEU 81 N 5.22 0.00 -0.22 -1.34 4.77 -1.26 -2.45 117.00 121.73 1azd n LEU 81 Ca -0.13 0.44 0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1azd n LEU 81 Cb 0.42 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 41.20 1azd n LEU 81 CO 0.50 -0.12 0.99 0.44 -1.33 0.00 0.00 177.39 177.87 1azd h ASP 82 N 0.00 0.24 -0.92 -1.43 3.32 -1.92 -2.23 116.42 113.47 1azd h ASP 82 Ca 0.00 0.08 -0.52 0.00 0.02 0.00 0.00 57.03 56.61 1azd h ASP 82 Cb 0.32 0.06 -0.28 0.00 0.22 0.00 0.00 39.33 39.65 1azd h ASP 82 CO 0.00 0.13 0.67 0.59 -1.72 0.00 0.00 179.24 178.91 1azd n ASN 83 N -5.00 4.90 0.12 6.45 3.02 -1.02 -4.39 115.26 119.34 1azd n ASN 83 Ca 0.10 -3.54 0.00 0.00 -0.03 0.00 0.00 54.58 51.11 1azd n ASN 83 Cb 0.30 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 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 -0.92 0.37 -2.11 2.41 0.31 -0.95 -5.07 118.33 112.37 1azd n VAL 84 Ca 0.56 0.12 -0.30 0.00 -0.01 0.00 0.00 64.34 64.71 1azd n VAL 84 Cb 1.29 -0.82 0.01 0.00 -0.91 0.00 0.00 33.84 33.40 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 -6.97 3.36 0.57 7.52 1.43 -0.88 -4.99 118.68 118.71 1azd s LEU 85 Ca 0.00 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.23 1azd s LEU 85 Cb 0.00 -4.30 -0.05 0.00 0.03 0.00 0.00 46.19 41.87 1azd s LEU 85 CO 0.00 -0.78 1.03 -2.16 0.23 0.00 0.00 176.35 174.67 1azd s PRO 86 N -5.02 3.57 0.47 1.29 0.04 -1.26 -4.84 135.00 129.25 1azd s PRO 86 Ca 0.53 1.04 0.30 0.00 0.04 0.00 0.00 61.00 62.91 1azd s PRO 86 Cb -0.11 -2.08 1.13 0.00 0.04 0.00 0.00 34.50 33.49 1azd s PRO 86 CO 0.51 -0.59 1.88 1.05 0.04 0.00 0.00 177.00 179.88 1azd h GLU 87 N 0.46 0.00 -5.45 4.56 4.11 -1.94 -3.38 114.58 112.95 1azd h GLU 87 Ca -0.46 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.31 1azd h GLU 87 Cb 1.20 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.21 1azd h GLU 87 CO 0.59 0.00 -0.73 -1.58 0.07 0.00 0.00 179.01 177.36 1azd s TRP 88 N -3.52 2.88 0.21 2.06 0.52 -1.26 -1.04 118.94 118.78 1azd s TRP 88 Ca 0.03 -0.45 -0.03 0.00 0.02 0.00 0.00 56.10 55.66 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 0.54 -0.09 0.20 0.14 0.02 0.00 0.00 176.95 177.76 1azd s VAL 89 N 0.19 0.00 0.13 4.03 -7.23 -0.11 -4.35 120.40 113.07 1azd s VAL 89 Ca -0.06 -1.88 0.08 0.00 -1.81 0.00 0.00 61.98 58.32 1azd s VAL 89 Cb -0.15 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1azd s VAL 89 CO 0.04 -0.02 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.54 1azd s ARG 90 N -4.13 1.95 -0.05 4.82 0.52 0.05 -0.30 118.95 121.81 1azd s ARG 90 Ca 0.35 -1.16 0.04 0.00 -0.52 0.00 0.00 55.73 54.43 1azd s ARG 90 Cb 0.06 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 1azd s ARG 90 CO 0.11 0.47 -0.15 0.14 0.02 0.00 0.00 175.30 175.90 1azd s VAL 91 N -1.32 3.01 0.34 3.52 -7.23 -1.26 -1.83 120.40 115.62 1azd s VAL 91 Ca 0.21 -0.74 -0.17 0.00 -1.81 0.00 0.00 61.98 59.47 1azd s VAL 91 Cb -0.10 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.70 1azd s VAL 91 CO 0.12 0.59 0.73 -0.83 -0.31 0.00 0.00 175.10 175.41 1azd s GLY 92 N -0.65 0.24 0.10 2.32 0.00 -0.57 -1.30 107.32 107.46 1azd s GLY 92 Ca 0.10 -0.61 0.09 0.00 0.00 0.00 0.00 44.72 44.29 1azd s GLY 92 CO 0.01 -0.27 -0.18 1.08 0.00 0.00 0.00 173.10 173.74 1azd s LEU 93 N -3.01 2.67 -0.01 0.66 1.43 -0.08 -1.25 118.68 119.09 1azd s LEU 93 Ca 0.15 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 1azd s LEU 93 Cb -0.05 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.65 1azd s LEU 93 CO 0.10 0.19 0.21 -0.55 0.23 0.00 0.00 176.35 176.53 1azd s SER 94 N -2.02 -0.07 -0.07 2.29 0.15 0.31 -1.16 113.70 113.14 1azd s SER 94 Ca 0.17 -0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.44 1azd s SER 94 Cb -0.11 0.25 0.08 0.00 -1.71 0.00 0.00 66.02 64.54 1azd s SER 94 CO 0.09 -0.39 0.76 0.00 1.20 0.00 0.00 173.24 174.89 1azd s ALA 95 N -1.33 -1.80 0.07 5.45 0.00 -1.10 0.59 121.76 123.64 1azd s ALA 95 Ca -0.14 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 1azd s ALA 95 Cb -0.07 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1azd s ALA 95 CO 0.03 -0.37 0.23 -1.54 0.00 0.00 0.00 175.76 174.11 1azd s SER 96 N -1.23 0.01 0.39 0.00 1.04 -1.20 -2.31 113.70 110.40 1azd s SER 96 Ca -0.08 -0.43 0.08 0.00 0.48 0.00 0.00 55.95 55.99 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 0.07 -0.66 0.02 0.42 0.98 0.00 0.00 173.24 174.08 1azd s THR 97 N -3.15 2.20 0.00 2.02 -4.23 -0.36 -0.02 115.64 112.09 1azd s THR 97 Ca -0.01 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1azd s THR 97 Cb 0.01 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1azd s THR 97 CO -0.07 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1azd n GLY 98 N -0.99 4.26 0.11 3.99 0.00 -1.26 -1.74 105.19 109.57 1azd n GLY 98 Ca -0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 0.26-10.35 0.99 6.46 -1.96 -0.85 115.31 109.86 1azd h LEU 99 Ca 0.00 -0.27 -0.44 0.00 -0.12 0.00 0.00 57.88 57.05 1azd h LEU 99 Cb 0.00 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1azd h LEU 99 CO 0.00 0.47 -0.28 -0.31 -0.62 0.00 0.00 178.44 177.69 1azd s TYR 100 N -5.13 3.06 0.21 1.25 2.02 -1.26 -4.91 117.35 112.60 1azd s TYR 100 Ca -0.14 -0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.24 1azd s TYR 100 Cb 0.06 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1azd s TYR 100 CO 0.71 -0.16 0.44 -1.59 -1.57 0.00 0.00 175.55 173.38 1azd s LYS 101 N -4.28 1.39 0.03 -0.62 0.00 -1.26 -4.35 119.74 110.66 1azd s LYS 101 Ca 0.48 -1.13 -0.28 0.00 0.00 0.00 0.00 55.97 55.04 1azd s LYS 101 Cb -0.10 0.46 0.08 0.00 0.00 0.00 0.00 37.83 38.27 1azd s LYS 101 CO 0.33 -0.57 0.69 -1.83 0.00 0.00 0.00 175.35 173.97 1azd s GLU 102 N -3.97 1.09 0.47 1.78 -1.05 -1.23 -4.24 118.70 111.55 1azd s GLU 102 Ca 0.17 -0.08 -0.21 0.00 -0.15 0.00 0.00 54.97 54.70 1azd s GLU 102 Cb 0.00 0.51 -0.08 0.00 -0.44 0.00 0.00 34.13 34.12 1azd s GLU 102 CO 0.03 -0.41 1.07 0.95 0.95 0.00 0.00 175.26 177.86 1azd s THR 103 N -2.34 3.58 -0.49 1.83 -4.23 0.78 -4.77 115.64 110.00 1azd s THR 103 Ca -0.04 1.07 0.08 0.00 -1.18 0.00 0.00 61.69 61.62 1azd s THR 103 Cb -0.01 -3.48 0.33 0.00 1.34 0.00 0.00 72.50 70.68 1azd s THR 103 CO -0.01 -0.13 0.81 0.59 -0.54 0.00 0.00 174.62 175.34 1azd n ASN 104 N -0.72 2.67 -4.73 3.99 5.03 -1.26 -3.56 115.26 116.68 1azd n ASN 104 Ca 0.08 -3.32 -0.40 0.00 0.87 0.00 0.00 54.58 51.81 1azd n ASN 104 Cb 0.51 -0.60 -0.05 0.00 -1.02 0.00 0.00 39.78 38.62 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 -3.24 4.84 -0.22 3.41 2.01 -1.03 -2.67 115.64 118.74 1azd s THR 105 Ca 0.44 1.60 -0.06 0.00 0.31 0.00 0.00 61.69 63.98 1azd s THR 105 Cb 0.29 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1azd s THR 105 CO -0.10 0.32 0.04 -0.63 -0.69 0.00 0.00 174.62 173.55 1azd s ILE 106 N 0.27 4.23 -0.17 1.82 -1.09 0.08 -0.70 121.20 125.63 1azd s ILE 106 Ca 0.39 -0.21 0.22 0.00 -2.23 0.00 0.00 60.65 58.82 1azd s ILE 106 Cb -0.20 -2.94 -0.22 0.00 -1.58 0.00 0.00 42.46 37.53 1azd s ILE 106 CO 0.22 0.39 0.71 0.18 -1.23 0.00 0.00 174.94 175.21 1azd n LEU 107 N 4.43 0.34 -3.54 2.97 4.32 0.79 -1.63 117.00 124.69 1azd n LEU 107 Ca -0.17 0.08 -0.07 0.00 -0.02 0.00 0.00 56.01 55.83 1azd n LEU 107 Cb 0.52 -0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.27 1azd n LEU 107 CO 0.32 -0.05 0.78 -0.94 -1.22 0.00 0.00 177.39 176.28 1azd s SER 108 N -4.68 -0.29 -0.28 -1.43 1.04 -1.23 -4.15 113.70 102.68 1azd s SER 108 Ca -0.04 -0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.19 1azd s SER 108 Cb 0.13 0.32 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1azd s SER 108 CO 0.86 -0.52 0.71 0.86 0.98 0.00 0.00 173.24 176.14 1azd s TRP 109 N -2.93 -0.97 0.02 5.02 -0.00 -0.34 -1.59 118.94 118.16 1azd s TRP 109 Ca 0.07 2.04 -0.11 0.00 -0.00 0.00 0.00 56.10 58.10 1azd s TRP 109 Cb -0.01 0.52 0.01 0.00 -0.00 0.00 0.00 33.47 33.99 1azd s TRP 109 CO -0.07 -0.48 0.22 -1.54 -0.00 0.00 0.00 176.95 175.08 1azd s SER 110 N 1.26 -0.03 -0.06 5.86 1.04 0.01 -0.50 113.70 121.27 1azd s SER 110 Ca -0.07 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.03 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 -0.51 0.27 0.12 0.98 0.00 0.00 173.24 173.97 1azd s PHE 111 N -2.08 -0.22 -0.07 5.02 5.36 -0.84 -1.04 117.98 124.12 1azd s PHE 111 Ca -0.09 0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 56.33 1azd s PHE 111 Cb -0.03 0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.77 1azd s PHE 111 CO -0.01 -0.24 0.13 0.99 -1.46 0.00 0.00 175.22 174.63 1azd s THR 112 N -0.53 -0.13 -0.05 0.12 2.01 -0.52 -2.48 115.64 114.06 1azd s THR 112 Ca -0.06 0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.25 1azd s THR 112 Cb -0.04 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1azd s THR 112 CO 0.02 0.11 -0.19 -0.55 -0.69 0.00 0.00 174.62 173.31 1azd s SER 113 N 1.66 2.42 -0.02 3.53 0.15 -0.02 -1.95 113.70 119.46 1azd s SER 113 Ca -0.04 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.25 1azd s SER 113 Cb -0.12 -0.65 -0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1azd s SER 113 CO -0.05 0.18 -0.11 -0.54 1.20 0.00 0.00 173.24 173.92 1azd s LYS 114 N -0.04 1.07 -0.37 5.44 1.02 -0.54 -1.08 119.74 125.24 1azd s LYS 114 Ca -0.03 -0.37 -0.03 0.00 0.02 0.00 0.00 55.97 55.56 1azd s LYS 114 Cb -0.12 -0.99 0.08 0.00 -0.52 0.00 0.00 37.83 36.28 1azd s LYS 114 CO 0.02 0.16 0.13 -0.51 -0.92 0.00 0.00 175.35 174.23 1azd s LEU 115 N 0.08 4.71 -0.13 3.17 1.43 0.87 -2.10 118.68 126.72 1azd s LEU 115 Ca -0.02 -1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 51.37 1azd s LEU 115 Cb -0.08 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1azd s LEU 115 CO 0.00 -0.43 0.04 -0.54 0.23 0.00 0.00 176.35 175.66 1azd s LYS 116 N 1.22 3.41 0.00 1.70 1.02 0.23 -0.87 119.74 126.45 1azd s LYS 116 Ca 0.03 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1azd s LYS 116 Cb -0.21 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1azd s LYS 116 CO -0.02 0.55 0.00 0.43 -0.92 0.00 0.00 175.35 175.39 1azd n SER 117 N 2.64 0.00 0.00 2.83 7.64 -1.13 -1.46 113.62 124.14 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 -3.81 6.43 0.23 -1.26 -4.50 115.26 112.35 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 0.29 -3.32 0.53 7.64 -1.26 0.06 113.62 117.56 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 62.04 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 -3.52 -7.79 -4.12 0.44 -1.04 -1.26 -3.89 114.28 93.09 1azd n THR 120 Ca -0.17 -0.19 -0.39 0.00 -2.04 0.00 0.00 64.05 61.26 1azd n THR 120 Cb 0.47 -5.54 -0.02 0.00 -1.82 0.00 0.00 70.33 63.42 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 -2.12 -1.40 -4.08 -1.42 1.44 0.11 -4.95 115.22 102.79 1azd n HIS 121 Ca -0.11 0.34 -0.28 0.00 -2.01 0.00 0.00 57.72 55.65 1azd n HIS 121 Cb 0.57 -2.92 -0.06 0.00 0.12 0.00 0.00 29.99 27.70 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 -7.25 2.82 0.16 -1.40 0.41 -0.84 -5.04 118.70 107.56 1azd s GLU 122 Ca 0.28 -0.81 -0.00 0.00 -0.41 0.00 0.00 54.97 54.03 1azd s GLU 122 Cb -0.15 -2.65 -0.04 0.00 -1.78 0.00 0.00 34.13 29.51 1azd s GLU 122 CO 0.97 0.52 0.05 0.99 -0.49 0.00 0.00 175.26 177.30 1azd s THR 123 N -1.56 0.27 0.03 3.63 2.01 -1.26 -2.85 115.64 115.91 1azd s THR 123 Ca 0.30 -1.94 0.08 0.00 0.31 0.00 0.00 61.69 60.43 1azd s THR 123 Cb -0.11 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 1azd s THR 123 CO 0.22 -0.39 -0.23 0.20 -0.69 0.00 0.00 174.62 173.74 1azd s ASN 124 N -3.11 2.68 -0.02 3.53 -0.87 -0.05 -4.96 114.94 112.14 1azd s ASN 124 Ca 0.27 -0.52 -0.05 0.00 -1.57 0.00 0.00 52.86 50.99 1azd s ASN 124 Cb 0.07 -0.24 0.01 0.00 -0.02 0.00 0.00 41.25 41.06 1azd s ASN 124 CO 0.04 0.21 0.12 0.00 -2.57 0.00 0.00 177.10 174.91 1azd s ALA 125 N -0.74 -0.30 0.04 0.60 0.00 -1.26 -0.09 121.76 120.01 1azd s ALA 125 Ca 0.09 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.21 1azd s ALA 125 Cb -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1azd s ALA 125 CO 0.01 -0.13 -0.17 -1.17 0.00 0.00 0.00 175.76 174.31 1azd s LEU 126 N -0.61 2.17 -0.19 0.00 2.96 -0.24 -4.99 118.68 117.78 1azd s LEU 126 Ca -0.07 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 1azd s LEU 126 Cb -0.04 -0.74 0.06 0.00 0.50 0.00 0.00 46.19 45.96 1azd s LEU 126 CO 0.01 0.08 0.47 -2.28 -1.32 0.00 0.00 176.35 173.31 1azd s HIS 127 N -0.82 -0.66 0.05 5.38 5.65 -1.26 -0.84 115.29 122.79 1azd s HIS 127 Ca 0.04 1.42 0.01 0.00 0.25 0.00 0.00 55.06 56.78 1azd s HIS 127 Cb -0.08 0.31 -0.03 0.00 -1.18 0.00 0.00 32.58 31.60 1azd s HIS 127 CO 0.01 -0.35 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.11 1azd s PHE 128 N 1.19 0.57 -0.20 3.88 -0.12 -1.04 -5.02 117.98 117.25 1azd s PHE 128 Ca -0.08 -0.65 -0.04 0.00 -0.05 0.00 0.00 56.93 56.12 1azd s PHE 128 Cb -0.07 -0.36 0.10 0.00 -0.63 0.00 0.00 43.02 42.06 1azd s PHE 128 CO -0.11 -0.16 0.29 1.41 -0.05 0.00 0.00 175.22 176.60 1azd s MET 129 N -2.22 0.24 -0.29 1.99 1.75 -1.26 -1.98 119.30 117.52 1azd s MET 129 Ca -0.06 0.48 -0.15 0.00 -1.25 0.00 0.00 55.69 54.71 1azd s MET 129 Cb -0.05 -0.63 -0.03 0.00 2.84 0.00 0.00 34.83 36.96 1azd s MET 129 CO -0.02 -0.54 0.36 -0.06 -0.65 0.00 0.00 175.02 174.10 1azd s PHE 130 N 2.43 3.23 -0.30 4.11 0.08 0.34 -4.93 117.98 122.94 1azd s PHE 130 Ca 0.07 0.25 0.11 0.00 0.12 0.00 0.00 56.93 57.48 1azd s PHE 130 Cb -0.15 -2.60 0.66 0.00 -0.57 0.00 0.00 43.02 40.37 1azd s PHE 130 CO -0.12 -0.29 1.68 0.09 -0.10 0.00 0.00 175.22 176.48 1azd n ASN 131 N 5.34 4.20 0.00 1.36 3.02 -1.26 -1.20 115.26 126.72 1azd n ASN 131 Ca -0.09 -3.30 0.00 0.00 -0.03 0.00 0.00 54.58 51.16 1azd n ASN 131 Cb 0.50 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.45 0.00 -4.50 3.52 7.27 -1.26 -4.88 117.38 117.09 1azd n GLN 132 Ca 0.37 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 57.10 1azd n GLN 132 Cb 1.25 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.78 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 -0.81 2.99 0.67 3.69 0.40 -0.56 -5.00 117.98 119.35 1azd s PHE 133 Ca 0.00 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 1azd s PHE 133 Cb 0.00 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 1azd s PHE 133 CO 0.00 0.06 1.07 0.45 0.70 0.00 0.00 175.22 177.50 1azd s SER 134 N 0.00 5.77 0.41 1.36 0.15 -1.26 -4.10 113.70 116.03 1azd s SER 134 Ca 0.00 1.27 0.22 0.00 0.70 0.00 0.00 55.95 58.14 1azd s SER 134 Cb -0.13 -2.18 0.69 0.00 -1.71 0.00 0.00 66.02 62.69 1azd s SER 134 CO 0.03 -1.15 1.73 0.50 1.20 0.00 0.00 173.24 175.55 1azd h LYS 135 N -0.52 0.00 -2.92 5.44 3.64 -1.89 -3.20 116.57 117.12 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 32.63 1azd h LYS 135 CO 0.63 0.26 -0.66 0.34 -2.27 0.00 0.00 179.45 177.74 1azd s ASP 136 N -6.23 4.08 -0.91 4.20 2.15 -1.26 -4.73 116.67 113.96 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 -1.37 0.18 0.00 -0.30 0.00 0.00 42.92 41.52 1azd s ASP 136 CO 0.66 -0.10 0.99 -1.58 -0.17 0.00 0.00 175.17 174.97 1azd s GLN 137 N -1.13 3.67 0.13 4.34 2.00 -1.25 -4.87 119.66 122.54 1azd s GLN 137 Ca 0.27 -2.21 0.16 0.00 -2.00 0.00 0.00 55.36 51.58 1azd s GLN 137 Cb -0.02 -4.69 0.72 0.00 0.80 0.00 0.00 33.01 29.81 1azd s GLN 137 CO -0.17 -1.53 1.51 1.63 -0.50 0.00 0.00 175.29 176.22 1azd n LYS 138 N 5.14 0.08 -0.37 1.67 5.02 -1.26 -2.51 118.16 125.94 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 0.47 -1.68 0.27 0.00 -0.02 0.00 0.00 35.03 34.07 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 -1.84 3.81 -4.47 4.39 5.68 -1.26 -4.89 116.55 117.96 1azd n ASP 139 Ca 0.02 -2.17 -0.33 0.00 -0.50 0.00 0.00 54.79 51.82 1azd n ASP 139 Cb 0.15 -0.43 -0.13 0.00 -1.14 0.00 0.00 41.12 39.57 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 -1.31 2.73 -0.40 -2.12 1.43 -1.04 -1.27 118.68 116.70 1azd s LEU 140 Ca 0.41 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 1azd s LEU 140 Cb 0.23 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1azd s LEU 140 CO 0.24 0.34 0.57 -0.63 0.23 0.00 0.00 176.35 177.11 1azd s ILE 141 N -0.73 4.93 -0.10 -0.59 1.01 0.27 -4.88 121.20 121.10 1azd s ILE 141 Ca 0.12 0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.82 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 0.34 -0.76 0.00 0.00 0.00 174.94 174.12 1azd s LEU 142 N 2.57 4.34 0.01 2.97 1.43 -1.26 -1.44 118.68 127.30 1azd s LEU 142 Ca 0.20 0.69 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 1azd s LEU 142 Cb -0.15 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1azd s LEU 142 CO 0.16 0.19 -0.15 -1.10 0.23 0.00 0.00 176.35 175.68 1azd s GLN 143 N -0.16 1.15 5.37 1.70 -0.21 0.45 -4.97 119.66 122.99 1azd s GLN 143 Ca 0.20 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1azd s GLN 143 Cb -0.14 -1.14 0.00 0.00 1.00 0.00 0.00 33.01 32.73 1azd s GLN 143 CO 0.08 0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.96 1azd n GLY 144 N 2.45 1.12 0.44 3.09 0.00 -1.26 -0.15 105.19 110.88 1azd n GLY 144 Ca -0.15 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 4.52 1.35 -4.71 1.61 8.00 -0.49 -4.92 116.55 121.92 1azd n ASP 145 Ca 0.00 -1.58 -0.42 0.00 0.71 0.00 0.00 54.79 53.50 1azd n ASP 145 Cb 0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.88 3.82 0.15 2.24 0.00 -1.18 -4.47 121.76 120.44 1azd s ALA 146 Ca 0.34 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.78 1azd s ALA 146 Cb 0.18 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1azd s ALA 146 CO 0.28 -0.97 -0.07 0.95 0.00 0.00 0.00 175.76 175.96 1azd s THR 147 N 1.71 0.98 0.36 0.00 -4.23 -0.57 -4.74 115.64 109.15 1azd s THR 147 Ca 0.75 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 1azd s THR 147 Cb -0.46 -1.92 -0.00 0.00 1.34 0.00 0.00 72.50 71.46 1azd s THR 147 CO 0.33 -0.68 0.03 0.35 -0.54 0.00 0.00 174.62 174.11 1azd n THR 148 N -0.20 0.00 0.00 3.99 -2.24 -1.26 -0.63 114.28 113.94 1azd n THR 148 Ca -0.09 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.88 1azd n THR 148 Cb 0.61 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.31 2.91 3.42 3.38 0.00 -1.14 -4.81 105.19 109.27 1azd n GLY 149 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 2.35 -1.69 2.61 -1.04 -1.17 -2.72 114.28 110.63 1azd n THR 150 Ca 0.00 -2.35 -0.07 0.00 -2.04 0.00 0.00 64.05 59.59 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 7.88 -0.55 -2.26 -2.82 1.02 -1.26 -3.06 120.64 119.60 1azd n GLU 151 Ca 0.47 0.55 -0.02 0.00 -0.02 0.00 0.00 57.16 58.15 1azd n GLU 151 Cb 0.45 -4.41 0.00 0.00 -0.02 0.00 0.00 31.44 27.46 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 -1.54 0.54 3.17 0.62 0.00 -1.10 -4.98 105.19 101.90 1azd n GLY 152 Ca -0.08 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.97 1.29 -0.37 1.61 0.01 -1.17 -1.49 114.94 111.84 1azd s ASN 153 Ca 0.02 -0.90 -0.11 0.00 -0.71 0.00 0.00 52.86 51.16 1azd s ASN 153 Cb -0.01 0.05 0.02 0.00 0.41 0.00 0.00 41.25 41.72 1azd s ASN 153 CO 0.02 -0.36 0.21 -0.22 -1.51 0.00 0.00 177.10 175.24 1azd s LEU 154 N -2.72 4.67 -0.80 0.60 2.96 -0.64 -2.86 118.68 119.89 1azd s LEU 154 Ca 0.08 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 52.91 1azd s LEU 154 Cb 0.01 -2.04 0.15 0.00 0.50 0.00 0.00 46.19 44.81 1azd s LEU 154 CO -0.02 -0.36 0.90 -0.13 -1.32 0.00 0.00 176.35 175.41 1azd s ARG 155 N 1.58 3.44 0.29 1.98 1.81 0.20 -0.74 118.95 127.50 1azd s ARG 155 Ca 0.03 -1.85 -0.02 0.00 -1.72 0.00 0.00 55.73 52.18 1azd s ARG 155 Cb -0.19 -4.57 0.41 0.00 -0.45 0.00 0.00 34.95 30.15 1azd s ARG 155 CO 0.07 -1.56 1.88 -0.07 -0.68 0.00 0.00 175.30 174.94 1azd h LEU 156 N 9.49 0.85 -9.37 2.53 3.38 -1.76 -1.51 115.31 118.92 1azd h LEU 156 Ca 0.01 -0.10 -0.61 0.00 0.09 0.00 0.00 57.88 57.27 1azd h LEU 156 Cb 1.05 -0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.45 1azd h LEU 156 CO 1.00 0.74 -0.70 0.42 0.09 0.00 0.00 178.44 179.98 1azd s THR 157 N -5.49 2.39 0.27 0.22 -4.23 -1.26 -2.89 115.64 104.65 1azd s THR 157 Ca -0.11 -2.25 -0.30 0.00 -1.18 0.00 0.00 61.69 57.86 1azd s THR 157 Cb 0.16 -2.54 -0.10 0.00 1.34 0.00 0.00 72.50 71.37 1azd s THR 157 CO 0.80 -0.28 1.38 -0.60 -0.54 0.00 0.00 174.62 175.38 1azd s ARG 158 N -3.58 4.31 -0.04 3.99 3.52 -1.26 -4.79 118.95 121.10 1azd s ARG 158 Ca 0.32 2.25 0.02 0.00 -0.13 0.00 0.00 55.73 58.19 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 0.16 -0.33 -0.09 0.54 -0.81 0.00 0.00 175.30 174.78 1azd s VAL 159 N -0.37 0.80 1.14 7.11 0.11 -1.26 -1.74 120.40 126.18 1azd s VAL 159 Ca 0.56 -0.34 -0.18 0.00 -2.93 0.00 0.00 61.98 59.09 1azd s VAL 159 Cb -0.41 -0.73 0.26 0.00 -1.53 0.00 0.00 36.38 33.97 1azd s VAL 159 CO 0.46 0.26 1.15 -0.94 -3.33 0.00 0.00 175.10 172.70 1azd s SER 160 N 0.42 1.51 0.25 3.54 1.04 0.38 -4.87 113.70 115.97 1azd s SER 160 Ca -0.07 0.62 -0.03 0.00 0.48 0.00 0.00 55.95 56.95 1azd s SER 160 Cb -0.11 -0.87 0.42 0.00 0.10 0.00 0.00 66.02 65.55 1azd s SER 160 CO 0.01 -3.76 1.82 0.77 0.98 0.00 0.00 173.24 173.06 1azd h SER 161 N -2.33 0.73 0.72 7.02 4.64 -2.02 -1.33 113.55 120.98 1azd h SER 161 Ca -0.46 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1azd h SER 161 Cb 1.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1azd h SER 161 CO 0.38 0.42 -0.25 -0.46 -0.87 0.00 0.00 176.83 176.05 1azd n ASN 162 N -4.71 0.27 0.00 4.97 6.94 -1.26 -4.90 115.26 116.58 1azd n ASN 162 Ca 0.14 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1azd n ASN 162 Cb 0.28 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 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 1.35 3.33 4.83 0.00 -0.50 -5.12 105.19 110.56 1azd n GLY 163 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 3.44 0.34 1.61 0.01 -1.24 -4.92 113.70 110.94 1azd s SER 164 Ca 0.00 -0.42 -0.28 0.00 1.31 0.00 0.00 55.95 56.56 1azd s SER 164 Cb 0.00 -1.01 -0.10 0.00 0.21 0.00 0.00 66.02 65.12 1azd s SER 164 CO 0.00 0.25 1.25 -2.16 0.41 0.00 0.00 173.24 172.99 1azd s PRO 165 N -0.16 4.32 0.21 12.44 0.04 -1.26 -0.47 135.00 150.11 1azd s PRO 165 Ca -0.03 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.14 1azd s PRO 165 Cb -0.14 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 1azd s PRO 165 CO 0.04 -0.17 0.29 -0.65 0.04 0.00 0.00 177.00 176.55 1azd s GLN 166 N -1.85 3.32 0.85 4.56 -1.52 -0.71 -4.85 119.66 119.45 1azd s GLN 166 Ca 0.50 -0.76 -0.10 0.00 -1.95 0.00 0.00 55.36 53.05 1azd s GLN 166 Cb -0.37 -2.85 0.15 0.00 -0.22 0.00 0.00 33.01 29.72 1azd s GLN 166 CO 0.48 0.46 1.18 0.20 -0.25 0.00 0.00 175.29 177.36 1azd s GLY 167 N -3.64 1.75 -0.38 3.09 0.00 -1.26 -4.38 107.32 102.50 1azd s GLY 167 Ca 0.34 -1.29 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 1azd s GLY 167 CO 0.28 -0.64 0.17 1.44 0.00 0.00 0.00 173.10 174.34 1azd n SER 168 N -3.35 -0.96 -4.63 1.64 7.64 -0.32 -4.82 113.62 108.81 1azd n SER 168 Ca 0.14 -0.39 -0.30 0.00 1.01 0.00 0.00 58.87 59.32 1azd n SER 168 Cb 0.60 -0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 63.24 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 -4.36 4.74 -0.15 6.43 0.15 -1.05 -4.91 113.70 114.56 1azd s SER 169 Ca 0.12 -0.25 -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 0.29 0.19 0.32 0.54 1.20 0.00 0.00 173.24 175.78 1azd s VAL 170 N -1.23 -0.43 0.13 4.45 0.11 -1.26 -1.23 120.40 120.93 1azd s VAL 170 Ca 0.23 0.23 0.06 0.00 -2.93 0.00 0.00 61.98 59.57 1azd s VAL 170 Cb -0.11 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1azd s VAL 170 CO 0.15 0.09 -0.14 -0.83 -3.33 0.00 0.00 175.10 171.05 1azd s GLY 171 N 2.33 1.12 0.02 6.54 0.00 -0.98 -1.39 107.32 114.96 1azd s GLY 171 Ca -0.01 -1.35 -0.06 0.00 0.00 0.00 0.00 44.72 43.30 1azd s GLY 171 CO -0.10 -1.41 0.10 0.50 0.00 0.00 0.00 173.10 172.19 1azd s ARG 172 N -2.82 0.52 -0.04 2.90 0.52 0.79 -2.69 118.95 118.12 1azd s ARG 172 Ca 0.11 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1azd s ARG 172 Cb -0.04 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1azd s ARG 172 CO 0.03 -0.13 -0.03 0.00 0.02 0.00 0.00 175.30 175.19 1azd s ALA 173 N -1.99 0.57 -0.00 2.13 0.00 -0.31 -0.41 121.76 121.75 1azd s ALA 173 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1azd s ALA 173 Cb -0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1azd s ALA 173 CO -0.02 -0.01 -0.19 -0.51 0.00 0.00 0.00 175.76 175.03 1azd s LEU 174 N 0.88 2.07 0.36 0.00 1.02 -0.52 -0.90 118.68 121.59 1azd s LEU 174 Ca -0.11 -0.38 -0.28 0.00 0.02 0.00 0.00 54.13 53.38 1azd s LEU 174 Cb -0.14 -0.95 -0.10 0.00 0.02 0.00 0.00 46.19 45.02 1azd s LEU 174 CO -0.00 0.21 1.34 0.12 0.02 0.00 0.00 176.35 178.04 1azd s PHE 175 N -0.53 2.89 0.22 0.29 5.36 -0.42 -0.57 117.98 125.22 1azd s PHE 175 Ca 0.07 1.36 -0.09 0.00 -0.96 0.00 0.00 56.93 57.31 1azd s PHE 175 Cb -0.08 -3.75 0.18 0.00 -0.34 0.00 0.00 43.02 39.03 1azd s PHE 175 CO -0.00 -2.16 1.87 -0.92 -1.46 0.00 0.00 175.22 172.55 1azd h TYR 176 N 3.12 1.04 -3.64 10.12 5.03 -1.52 -3.43 116.97 127.69 1azd h TYR 176 Ca -0.50 0.01 -0.51 0.00 2.58 0.00 0.00 58.73 60.32 1azd h TYR 176 Cb 1.23 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 39.15 1azd h TYR 176 CO 0.55 0.68 0.35 0.00 -1.32 0.00 0.00 178.16 178.42 1azd s ALA 177 N -6.05 3.28 0.79 1.82 0.00 -1.26 -5.02 121.76 115.33 1azd s ALA 177 Ca -0.13 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 1azd s ALA 177 Cb 0.16 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1azd s ALA 177 CO 0.79 0.07 0.85 -2.30 0.00 0.00 0.00 175.76 175.18 1azd n PRO 178 N 2.25 0.19 -4.83 0.00 -0.02 -1.26 -4.78 135.00 126.54 1azd n PRO 178 Ca 0.00 0.12 -0.27 0.00 -2.02 0.00 0.00 63.50 61.34 1azd n PRO 178 Cb 0.48 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 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 -2.06 1.48 -0.99 -1.45 1.01 0.59 -4.97 120.40 114.01 1azd s VAL 179 Ca 0.69 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1azd s VAL 179 Cb -0.30 -1.31 0.15 0.00 0.00 0.00 0.00 36.38 34.92 1azd s VAL 179 CO 0.55 0.43 1.17 -2.28 0.00 0.00 0.00 175.10 174.97 1azd s HIS 180 N 0.46 3.32 0.15 5.22 2.46 -1.26 -0.93 115.29 124.70 1azd s HIS 180 Ca -0.14 -1.68 0.10 0.00 0.47 0.00 0.00 55.06 53.81 1azd s HIS 180 Cb -0.16 -4.23 0.05 0.00 -0.13 0.00 0.00 32.58 28.11 1azd s HIS 180 CO 0.05 -1.40 1.43 -0.84 -2.47 0.00 0.00 174.74 171.51 1azd h ILE 181 N 5.37 1.50 -3.95 0.89 -0.00 -1.39 -3.46 117.51 116.46 1azd h ILE 181 Ca 0.19 -2.78 -0.15 0.00 -0.00 0.00 0.00 64.86 62.12 1azd h ILE 181 Cb 0.98 2.53 -0.20 0.00 -0.00 0.00 0.00 36.82 40.14 1azd h ILE 181 CO 1.10 0.78 -0.65 0.86 -0.00 0.00 0.00 178.15 180.24 1azd s TRP 182 N -3.07 0.27 -0.26 0.16 -0.00 -1.21 -4.68 118.94 110.16 1azd s TRP 182 Ca 0.00 -0.58 -0.25 0.00 -0.00 0.00 0.00 56.10 55.28 1azd s TRP 182 Cb 0.11 -0.20 0.07 0.00 -0.00 0.00 0.00 33.47 33.44 1azd s TRP 182 CO 0.79 -0.25 0.71 -2.00 -0.00 0.00 0.00 176.95 176.20 1azd s GLU 183 N -2.00 0.84 0.61 5.86 -6.30 -1.26 -4.71 118.70 111.75 1azd s GLU 183 Ca -0.11 0.96 0.39 0.00 -2.50 0.00 0.00 54.97 53.71 1azd s GLU 183 Cb -0.06 0.41 1.92 0.00 0.00 0.00 0.00 34.13 36.40 1azd s GLU 183 CO -0.03 -0.11 2.19 0.77 0.02 0.00 0.00 175.26 178.10 1azd h SER 184 N 4.92 0.00 0.76 -1.70 0.02 -2.02 -1.09 113.55 114.44 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 0.07 0.00 -1.05 -1.20 -1.14 0.00 0.00 176.83 173.52 1azd n SER 185 N -3.10 0.69 -4.67 3.07 7.64 -1.26 -4.90 113.62 111.09 1azd n SER 185 Ca -0.01 0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 1azd n SER 185 Cb 0.18 0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 63.98 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 -2.06 1.58 0.40 -0.43 0.00 -0.41 -4.79 120.51 114.79 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 -2.64 0.21 0.00 0.00 0.00 0.00 19.45 17.53 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 5.42 0.00 -1.98 0.00 -1.51 -1.57 -3.43 116.25 113.17 1azd h VAL 187 Ca -0.49 -0.73 -0.07 0.00 -1.23 0.00 0.00 66.70 64.18 1azd h VAL 187 Cb 1.24 1.55 -0.26 0.00 -2.13 0.00 0.00 31.29 31.68 1azd h VAL 187 CO 0.94 0.00 -0.37 0.54 -1.23 0.00 0.00 177.57 177.45 1azd s VAL 188 N -3.19 -0.73 0.05 7.19 0.11 -0.88 -4.75 120.40 118.20 1azd s VAL 188 Ca 0.07 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1azd s VAL 188 Cb 0.10 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1azd s VAL 188 CO 0.68 -0.02 0.17 0.00 -3.33 0.00 0.00 175.10 172.60 1azd s ALA 189 N 2.66 3.87 -0.07 1.54 0.00 -1.26 -0.60 121.76 127.90 1azd s ALA 189 Ca 0.07 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1azd s ALA 189 Cb -0.14 -1.72 0.10 0.00 0.00 0.00 0.00 23.12 21.36 1azd s ALA 189 CO -0.16 0.79 0.83 -1.54 0.00 0.00 0.00 175.76 175.68 1azd s SER 190 N -2.38 -0.50 0.10 0.00 1.04 -0.89 -0.36 113.70 110.71 1azd s SER 190 Ca 0.32 0.44 -0.09 0.00 0.48 0.00 0.00 55.95 57.10 1azd s SER 190 Cb -0.13 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1azd s SER 190 CO 0.25 -0.53 0.22 0.72 0.98 0.00 0.00 173.24 174.87 1azd s PHE 191 N -1.61 0.13 -0.26 5.02 -0.12 -0.36 -1.47 117.98 119.32 1azd s PHE 191 Ca -0.04 -0.55 -0.25 0.00 -0.05 0.00 0.00 56.93 56.03 1azd s PHE 191 Cb -0.00 -0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.43 1azd s PHE 191 CO 0.02 -0.57 0.74 -1.83 -0.05 0.00 0.00 175.22 173.53 1azd s GLU 192 N -3.86 0.83 0.06 1.99 4.04 -0.83 -1.49 118.70 119.44 1azd s GLU 192 Ca 0.06 0.92 0.02 0.00 0.04 0.00 0.00 54.97 56.01 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 -0.10 -0.11 -0.08 0.00 -1.84 0.00 0.00 175.26 173.13 1azd s ALA 193 N 0.26 0.70 -0.00 -0.84 0.00 -0.63 -1.44 121.76 119.81 1azd s ALA 193 Ca -0.01 -0.92 -0.01 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 23.14 1azd s ALA 193 CO 0.01 -0.07 0.03 0.99 0.00 0.00 0.00 175.76 176.72 1azd s THR 194 N -1.95 0.04 -0.05 0.00 2.01 -0.20 -0.70 115.64 114.79 1azd s THR 194 Ca -0.04 -0.33 -0.10 0.00 0.31 0.00 0.00 61.69 61.53 1azd s THR 194 Cb -0.06 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.32 1azd s THR 194 CO -0.01 -0.18 0.24 0.72 -0.69 0.00 0.00 174.62 174.70 1azd s PHE 195 N -0.54 -0.18 -0.18 4.92 -0.71 -1.06 -0.81 117.98 119.42 1azd s PHE 195 Ca -0.06 0.39 -0.07 0.00 -1.04 0.00 0.00 56.93 56.14 1azd s PHE 195 Cb -0.04 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1azd s PHE 195 CO -0.00 -0.24 0.06 0.95 -1.34 0.00 0.00 175.22 174.65 1azd s THR 196 N -0.61 4.78 0.13 -4.49 -4.23 -0.62 -2.14 115.64 108.46 1azd s THR 196 Ca -0.07 -0.04 0.10 0.00 -1.18 0.00 0.00 61.69 60.50 1azd s THR 196 Cb -0.04 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 1azd s THR 196 CO 0.02 0.46 -0.24 0.72 -0.54 0.00 0.00 174.62 175.03 1azd s PHE 197 N 0.39 2.14 -0.25 3.99 -0.71 -0.67 -0.15 117.98 122.73 1azd s PHE 197 Ca 0.03 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 1azd s PHE 197 Cb -0.12 -1.14 0.07 0.00 -1.21 0.00 0.00 43.02 40.61 1azd s PHE 197 CO 0.00 0.32 -0.01 -1.17 -1.34 0.00 0.00 175.22 173.03 1azd s LEU 198 N -2.13 2.43 -0.18 -1.99 0.20 0.12 -1.00 118.68 116.13 1azd s LEU 198 Ca 0.13 -1.25 -0.12 0.00 0.69 0.00 0.00 54.13 53.58 1azd s LEU 198 Cb -0.10 -1.06 -0.05 0.00 -0.43 0.00 0.00 46.19 44.56 1azd s LEU 198 CO 0.06 -0.29 0.21 -0.63 -0.29 0.00 0.00 176.35 175.41 1azd s ILE 199 N 1.48 5.36 -0.02 6.68 1.01 -1.26 -2.47 121.20 131.98 1azd s ILE 199 Ca -0.01 0.36 0.02 0.00 0.00 0.00 0.00 60.65 61.01 1azd s ILE 199 Cb -0.18 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.75 1azd s ILE 199 CO -0.09 0.42 -0.06 -0.75 0.00 0.00 0.00 174.94 174.46 1azd s LYS 200 N 0.42 0.63 -0.03 2.79 2.20 -1.23 -0.83 119.74 123.69 1azd s LYS 200 Ca 0.12 -0.17 -0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1azd s LYS 200 Cb -0.12 -0.63 0.03 0.00 -1.51 0.00 0.00 37.83 35.60 1azd s LYS 200 CO 0.01 0.05 0.03 0.45 -0.36 0.00 0.00 175.35 175.53 1azd s SER 201 N 0.29 0.34 0.02 1.43 0.15 -1.26 -0.16 113.70 114.52 1azd s SER 201 Ca -0.03 0.04 -0.14 0.00 0.70 0.00 0.00 55.95 56.51 1azd s SER 201 Cb -0.08 -0.11 -0.34 0.00 -1.71 0.00 0.00 66.02 63.78 1azd s SER 201 CO -0.00 -0.15 0.95 1.55 1.20 0.00 0.00 173.24 176.79 1azd h PRO 202 N 7.53 0.50 -1.45 5.44 0.13 -2.00 -3.35 132.00 138.81 1azd h PRO 202 Ca -0.39 -0.85 -0.01 0.00 -0.87 0.00 0.00 66.00 63.88 1azd h PRO 202 Cb 1.12 0.32 -0.01 0.00 0.13 0.00 0.00 31.00 32.56 1azd h PRO 202 CO 0.41 1.41 0.01 -0.40 -0.23 0.00 0.00 178.00 179.20 1azd n ASP 203 N -3.68 4.09 0.00 1.44 5.68 -1.26 -4.84 116.55 117.98 1azd n ASP 203 Ca -0.18 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 51.90 1azd n ASP 203 Cb 1.10 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 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 0.92 0.00 -2.71 -1.12 7.64 -1.26 -4.67 113.62 112.42 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 -2.32 -0.92 1.43 -0.00 -1.26 -5.17 115.22 106.97 1azd n HIS 205 Ca 0.00 -1.78 -0.32 0.00 -0.00 0.00 0.00 57.72 55.61 1azd n HIS 205 Cb 0.00 1.53 0.14 0.00 -0.00 0.00 0.00 29.99 31.66 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 1.36 -0.07 1.57 0.04 -1.26 -4.48 135.00 132.40 1azd s PRO 206 Ca 0.22 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 1azd s PRO 206 Cb 0.29 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 33.17 1azd s PRO 206 CO -0.09 -2.40 0.81 0.00 0.04 0.00 0.00 177.00 175.35 1azd s ALA 207 N -2.40 -1.82 -0.71 8.56 0.00 -1.26 -4.33 121.76 119.79 1azd s ALA 207 Ca 0.70 1.33 0.12 0.00 0.00 0.00 0.00 51.96 54.10 1azd s ALA 207 Cb -0.26 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 1azd s ALA 207 CO 0.54 -0.41 0.56 -0.25 0.00 0.00 0.00 175.76 176.20 1azd n ASP 208 N 0.65 0.78 0.00 0.00 8.00 0.97 -3.54 116.55 123.41 1azd n ASP 208 Ca -0.15 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1azd n ASP 208 Cb 0.58 0.85 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 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 1.20 -0.68 3.13 0.44 0.00 -1.25 -2.73 105.19 105.29 1azd n GLY 209 Ca 0.03 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 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 0.16 -0.04 -0.61 1.01 -0.08 -3.26 121.20 118.37 1azd s ILE 210 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 60.65 59.28 1azd s ILE 210 Cb 0.00 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1azd s ILE 210 CO 0.00 -0.71 0.20 0.00 0.00 0.00 0.00 174.94 174.43 1azd s ALA 211 N -3.21 -0.50 -0.22 9.38 0.00 0.20 0.21 121.76 127.61 1azd s ALA 211 Ca 0.00 0.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.18 1azd s ALA 211 Cb 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1azd s ALA 211 CO -0.07 -0.16 0.12 0.12 0.00 0.00 0.00 175.76 175.77 1azd s PHE 212 N -0.61 3.30 0.02 0.00 5.36 -0.63 -0.53 117.98 124.88 1azd s PHE 212 Ca -0.07 0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.09 1azd s PHE 212 Cb -0.04 -2.20 -0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1azd s PHE 212 CO 0.01 0.10 -0.10 -0.59 -1.46 0.00 0.00 175.22 173.18 1azd s PHE 213 N 0.81 0.91 -0.18 10.12 -0.71 -0.38 -0.83 117.98 127.73 1azd s PHE 213 Ca 0.06 -0.28 -0.06 0.00 -1.04 0.00 0.00 56.93 55.62 1azd s PHE 213 Cb -0.13 -0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 41.09 1azd s PHE 213 CO 0.02 -0.01 0.02 0.42 -1.34 0.00 0.00 175.22 174.34 1azd s ILE 214 N -0.63 4.38 0.27 -4.49 1.01 0.81 -1.51 121.20 121.05 1azd s ILE 214 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1azd s ILE 214 Cb -0.06 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 1azd s ILE 214 CO 0.00 0.46 0.08 -0.94 0.00 0.00 0.00 174.94 174.55 1azd s SER 215 N 0.46 1.52 0.67 3.58 1.04 -0.76 -1.52 113.70 118.69 1azd s SER 215 Ca 0.00 -1.36 -0.17 0.00 0.48 0.00 0.00 55.95 54.90 1azd s SER 215 Cb -0.13 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.08 1azd s SER 215 CO 0.02 -0.68 1.25 -0.46 0.98 0.00 0.00 173.24 174.34 1azd n ASN 216 N -0.51 1.80 0.28 7.02 6.94 -1.19 -0.77 115.26 128.84 1azd n ASN 216 Ca -0.01 0.79 0.13 0.00 -0.02 0.00 0.00 54.58 55.47 1azd n ASN 216 Cb 0.66 -1.54 0.81 0.00 -2.36 0.00 0.00 39.78 37.36 1azd n ASN 216 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 1azd h ILE 217 N 0.31 0.70 -0.89 1.53 3.07 -1.85 -2.72 117.51 117.66 1azd h ILE 217 Ca -0.50 0.00 -0.60 0.00 1.55 0.00 0.00 64.86 65.31 1azd h ILE 217 Cb 1.34 0.99 -0.31 0.00 -0.27 0.00 0.00 36.82 38.57 1azd h ILE 217 CO 0.52 0.00 0.39 -0.90 -1.05 0.00 0.00 178.15 177.10 1azd n ASP 218 N -4.11 6.30 -4.81 2.16 5.75 -1.26 -4.73 116.55 115.86 1azd n ASP 218 Ca -0.03 -3.76 -0.34 0.00 -0.01 0.00 0.00 54.79 50.65 1azd n ASP 218 Cb 0.10 -0.79 -0.04 0.00 -1.03 0.00 0.00 41.12 39.36 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 6.44 0.12 -1.12 0.15 -1.02 -5.07 113.70 110.95 1azd s SER 219 Ca 0.59 1.85 -0.17 0.00 0.70 0.00 0.00 55.95 58.92 1azd s SER 219 Cb 0.48 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1azd s SER 219 CO 0.01 -0.71 0.43 -0.94 1.20 0.00 0.00 173.24 173.23 1azd s SER 220 N -2.16 -0.29 -0.10 5.45 1.04 -1.26 -5.12 113.70 111.27 1azd s SER 220 Ca 0.65 -0.24 -0.34 0.00 0.48 0.00 0.00 55.95 56.50 1azd s SER 220 Cb -0.14 0.49 -0.12 0.00 0.10 0.00 0.00 66.02 66.35 1azd s SER 220 CO 0.20 -0.85 1.89 -0.38 0.98 0.00 0.00 173.24 175.08 1azd n ILE 221 N -0.19 0.58 -2.00 -1.02 5.41 -1.26 -4.93 119.36 115.95 1azd n ILE 221 Ca -0.16 -0.11 -0.38 0.00 1.00 0.00 0.00 62.75 63.10 1azd n ILE 221 Cb 0.64 -1.87 0.02 0.00 -0.71 0.00 0.00 39.64 37.71 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 4.14 3.35 0.08 0.38 0.02 -1.26 -4.92 135.00 136.80 1azd s PRO 222 Ca 0.93 2.00 -0.31 0.00 0.02 0.00 0.00 61.00 63.64 1azd s PRO 222 Cb -0.70 -2.27 -0.08 0.00 0.02 0.00 0.00 34.50 31.47 1azd s PRO 222 CO 0.52 -0.95 1.64 -1.12 -0.33 0.00 0.00 177.00 176.76 1azd s SER 223 N -1.20 6.61 -0.70 2.53 0.01 -1.26 -3.09 113.70 116.60 1azd s SER 223 Ca 0.69 2.49 -0.01 0.00 1.31 0.00 0.00 55.95 60.43 1azd s SER 223 Cb -0.34 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.31 1azd s SER 223 CO 0.41 -0.87 0.59 0.61 0.41 0.00 0.00 173.24 174.38 1azd n GLY 224 N 3.96 -0.10 0.78 3.44 0.00 -1.26 -4.88 105.19 107.12 1azd n GLY 224 Ca 0.16 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.33 2.12 -4.65 1.61 3.41 -1.18 -4.91 113.62 107.69 1azd n SER 225 Ca -0.14 -3.77 -0.29 0.00 -0.26 0.00 0.00 58.87 54.41 1azd n SER 225 Cb 0.59 -0.56 0.15 0.00 -0.26 0.00 0.00 64.21 64.13 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 -3.20 1.97 0.00 6.66 -4.23 -1.26 0.20 115.64 115.77 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 0.38 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1azd s THR 226 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1azd n GLY 227 N -2.23 3.55 0.00 3.99 0.00 -0.71 -3.48 105.19 106.31 1azd n GLY 227 Ca 0.08 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.07 -0.21 1.61 -4.01 -1.26 -1.34 116.66 125.52 1azd n ARG 228 Ca 0.00 0.27 0.10 0.00 -1.04 0.00 0.00 57.85 57.18 1azd n ARG 228 Cb 0.00 -1.50 0.21 0.00 -3.04 0.00 0.00 32.46 28.13 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 -1.37 3.33 -1.08 2.89 4.77 -1.23 -4.97 117.00 119.34 1azd n LEU 229 Ca 0.03 -1.68 -0.13 0.00 -0.03 0.00 0.00 56.01 54.20 1azd n LEU 229 Cb 0.08 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1azd n LEU 229 CO 0.07 0.77 -0.13 0.18 -1.33 0.00 0.00 177.39 176.95 1azd n LEU 230 N 1.24 -0.69 -0.98 2.23 4.32 -0.45 -0.85 117.00 121.83 1azd n LEU 230 Ca 0.18 0.33 -0.12 0.00 -0.02 0.00 0.00 56.01 56.37 1azd n LEU 230 Cb 0.54 -2.56 -0.05 0.00 -1.62 0.00 0.00 43.42 39.73 1azd n LEU 230 CO 0.13 -0.97 -0.12 0.61 -1.22 0.00 0.00 177.39 175.82 1azd n GLY 231 N 0.03 1.22 0.78 -0.72 0.00 0.13 -4.17 105.19 102.47 1azd n GLY 231 Ca -0.13 -0.45 -0.07 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 -1.43 0.51 -4.46 0.99 4.32 -0.03 -4.55 117.00 112.36 1azd n LEU 232 Ca -0.13 0.08 -0.31 0.00 -0.02 0.00 0.00 56.01 55.64 1azd n LEU 232 Cb 0.42 -0.21 -0.13 0.00 -1.62 0.00 0.00 43.42 41.89 1azd n LEU 232 CO 0.19 0.15 -0.49 -0.36 -1.22 0.00 0.00 177.39 175.66 1azd s PHE 233 N -2.13 2.57 -0.53 -1.77 0.40 -1.16 -4.75 117.98 110.61 1azd s PHE 233 Ca -0.10 -0.25 0.25 0.00 -0.60 0.00 0.00 56.93 56.23 1azd s PHE 233 Cb 0.04 -1.49 0.56 0.00 0.51 0.00 0.00 43.02 42.64 1azd s PHE 233 CO 0.12 0.24 1.69 -1.00 0.70 0.00 0.00 175.22 176.97 1azd h PRO 234 N 4.65 0.00 0.00 0.24 0.13 -1.91 -3.43 132.00 131.68 1azd h PRO 234 Ca -0.47 0.00 -0.18 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 0.00 178.00 177.73 1azd n ASP 235 N -2.78 -0.72 -1.69 1.44 5.68 -1.26 -4.92 116.55 112.30 1azd n ASP 235 Ca 0.04 -2.13 -0.17 0.00 -0.50 0.00 0.00 54.79 52.03 1azd n ASP 235 Cb 0.48 1.39 0.09 0.00 -1.14 0.00 0.00 41.12 41.94 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 -1.66 4.87 1.24 2.12 0.00 -1.26 -4.77 120.51 121.04 1azd n ALA 236 Ca -0.08 -3.56 0.13 0.00 0.00 0.00 0.00 53.44 49.93 1azd n ALA 236 Cb 0.34 -0.60 0.31 0.00 0.00 0.00 0.00 19.45 19.50 1azd n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59